Model name: model_name=EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_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=3.638568460941315
cohesive_energy=3.4069304484773077
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=[1.85150736178308e-19, 2.33416307277558e-19, 2.75507089629372e-19, 3.1240041098049e-19, 3.4409627133091194e-19, 3.70778920993548e-19, 3.9327828746481e-19, 4.1256208543163392e-19, 4.2941858579794795e-19, 4.44386119912776e-19, 4.57812360105696e-19, 4.699408372250759e-19, 4.81015082119284e-19, 4.9133950834878e-19, 5.012441643001679e-19, 5.107755130958339e-19, 5.19648367294926e-19, 5.27463784915578e-19, 5.338660827450419e-19, 5.387206779460619e-19, 5.42102872820436e-19, 5.442481873333619e-19, 5.4542899151262e-19, 5.45807105198244e-19, 5.45406561039744e-19, 5.44129626262446e-19, 5.41862546325336e-19, 5.38457920978086e-19, 5.3373310208442e-19, 5.27463784915578e-19, 5.193775994437799e-19, 5.0916372340202995e-19, 4.964840975205539e-19, 4.809734255267999e-19, 4.622199480258299e-19, 4.39720581554568e-19, 4.12821638046342e-19, 3.80531370164706e-19, 3.41101803201966e-19, 2.9101455726985798e-19, 2.22827521903452e-19, 1.208263884588126e-19, -4.50735545913318e-20, -3.1792792036779e-19, -7.806028865576759e-19, -1.595731077401418e-18, -3.09984328616418e-18, -6.0248250144935995e-18, -1.20618265714056e-17, -2.54814978401262e-17, -5.836793564727359e-17, -1.5040128738114539e-16, -4.62048515125992e-16]
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: 0.012969398420135638
Energy: 0.013642940201551188
Energy: 0.013268593104360066
Energy: 0.013152433796665251
Energy: 0.5332077872674583
Energy: 0.01332565502322687
Energy: 0.013642940201860746
Energy: 0.10895629180858486
Energy: 0.11007277979579334
Energy: 0.10900896763125861
Energy: 0.10900146323450224
Energy: 0.10973492998984977
Energy: 0.013268593104669626
Energy: 0.11007277979641246
Energy: 0.10964792349955041
Energy: 0.0133188511579833
Energy: 0.10886134005845378
Energy: 0.10934325233698577
Energy: 0.013152433796665251
Energy: 0.10900896763036433
Energy: 0.013318851157673742
Energy: 0.013149241587879524
Energy: 0.10879285256991632
Energy: 0.013344189209458427
Energy: 0.5332077872480937
Energy: 0.10900146323298886
Energy: 0.108861340061171
Energy: 0.10879285256991632
Energy: 0.1090212454893962
Energy: 0.10885987470546743
Energy: 0.01332565502322687
Energy: 0.10973492998651341
Energy: 0.1093432523351972
Energy: 0.013344189209767985
Energy: 0.10885987470969806
Energy: 0.013076172843151991

minimum gb energy = 0.012969398420135638 eV
minimum distance =  2.57076405810516 Angstroms
sigma value = 1


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

Energy: 1.306469110356685
Energy: 0.8029178502864605
Energy: 0.82524937832172
Energy: 0.8183284939598291
Energy: 0.7966283842502607
Energy: 0.8254308555776204
Energy: 1.2847999881985248
Energy: 0.7771839414316295
Energy: 0.7791573750259588
Energy: 0.7762978570886032
Energy: 0.7765981717975976
Energy: 0.7796443100101542
Energy: 1.1978826945818448
Energy: 0.7847505715406518
Energy: 0.7852600065614457
Energy: 0.7863338191504124
Energy: 0.7907541416912868
Energy: 0.7795645656560579
Energy: 0.8064579298549471
Energy: 0.7815763522106243
Energy: 0.7839647951617333
Energy: 0.7919369004927976
Energy: 0.7881556492326494
Energy: 0.7793338688414689
Energy: 1.2106477543788352
Energy: 0.7764006689602863
Energy: 0.776712015907893
Energy: 0.7766603158905121
Energy: 0.7776415389720517
Energy: 0.77955480898415
Energy: 1.186224809551783
Energy: 0.7767601357298353
Energy: 0.7966999417783932
Energy: 0.78939088014204
Energy: 0.7910517628501884
Energy: 0.7970494068275435
Energy: 1.1920976952088098
Energy: 0.7769633723980098
Energy: 0.781475701738308
Energy: 0.7895900506142318
Energy: 0.7920951481020085
Energy: 0.780878044721617
Energy: 1.2137503579116027
Energy: 0.7897260828525215
Energy: 0.7897613579903714
Energy: 0.7889739996439216
Energy: 0.78968170027167
Energy: 0.7809634620812614
Energy: 0.9398339587558016
Energy: 0.7899385068945103
Energy: 0.7899380571463461
Energy: 0.7909016686522448
Energy: 0.7873110480140807
Energy: 0.7968174570133212
Energy: 0.9397636503623678
Energy: 0.7791169042283075
Energy: 0.779107485326871
Energy: 0.7786929132754431
Energy: 0.776201682990632
Energy: 0.7773806373947435
Energy: 0.9477644613973051
Energy: 0.7744738635979175
Energy: 0.7907475990822781
Energy: 0.7809728932743475
Energy: 0.7826802479917836
Energy: 0.800168964294048
Energy: 0.8477067255460773
Energy: 0.779196663327479
Energy: 0.781643493550663
Energy: 0.7911129667955297
Energy: 0.790189511854095
Energy: 0.7766812486291916
Energy: 0.8470930554504673
Energy: 0.7764567733366434
Energy: 0.7803886532320081
Energy: 0.7764842082398983
Energy: 0.77842819151161
Energy: 0.7774876833421727
Energy: 0.8700326094022514
Energy: 0.7878499650592347
Energy: 0.7813232792415408
Energy: 0.7852252265957637
Energy: 0.7880165800628495
Energy: 0.7910999253634825
Energy: 0.8698178382692074
Energy: 0.7804514371855542
Energy: 0.7782400067843362
Energy: 0.7846206974441533
Energy: 0.7769577255428698
Energy: 0.776968447198187
Energy: 0.8702921156041913
Energy: 0.7881588396307765
Energy: 0.7898722457698207
Energy: 0.8002342427820517
Energy: 0.7871403211104405
Energy: 0.8027303107761955
Energy: 1.0981294579337126
Energy: 0.7805700874116553
Energy: 0.7807117911512812
Energy: 0.7969658475534078
Energy: 0.7957028095315949
Energy: 0.782660823009323
Energy: 1.0575401606564618
Energy: 0.7889245238719219
Energy: 0.7930446713417033
Energy: 0.7930484013037382
Energy: 0.7895284500639976
Energy: 0.79226495386203
Energy: 1.0559406535361995
Energy: 0.7919965468726332
Energy: 0.792525710459658
Energy: 0.7930091309015957
Energy: 0.7923056107784395
Energy: 0.7921720733473306
Energy: 1.1941944268516813
Energy: 0.7919512570195887
Energy: 0.7923583467548833
Energy: 0.7899761375818671
Energy: 0.7927347474885061
Energy: 0.7917688282256508
Energy: 1.2413061081021295
Energy: 0.7818089661783402
Energy: 0.7629233563548045
Energy: 0.7835152540812192
Energy: 0.7894956310270826
Energy: 0.7616568138665241
Energy: 1.2466532087850097
Energy: 0.7883863741856609
Energy: 0.8035064050421966
Energy: 0.784468565925936
Energy: 0.790011623552209
Energy: 0.7907143353353989
Energy: 1.2854418563941028
Energy: 0.7766065609874745
Energy: 0.7786840162746465
Energy: 0.7672872527884804
Energy: 0.776158299709038
Energy: 0.7789905147690058

minimum gb energy = 0.7616568138665241 eV
minimum distance =  2.36318355219578 Angstroms
sigma value = 33


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

Energy: 1.5502298979646316
Energy: 0.9295562285615813
Energy: 0.8618009465286429
Energy: 0.8589774732090237
Energy: 0.8539994621990091
Energy: 0.930145112448253
Energy: 0.8667559899659439
Energy: 0.8137232283260784
Energy: 0.8085500265463557
Energy: 0.8154230997761045
Energy: 0.8093915668006703
Energy: 0.8158284620152815
Energy: 0.8880342589048098
Energy: 0.8180666975176804
Energy: 0.8260622220217757
Energy: 0.8753890161063173
Energy: 0.8193977038126914
Energy: 0.822531993640595
Energy: 0.897957219900093
Energy: 0.9412178751900808
Energy: 0.831737578934243
Energy: 0.8774856792688025
Energy: 0.8299647002091078
Energy: 0.8716303494154632
Energy: 0.9602103690958487
Energy: 0.950675636491714
Energy: 0.8295044973923335
Energy: 0.8289973326771074
Energy: 0.8288348669812046
Energy: 0.9417965347182283
Energy: 1.1676265457503787
Energy: 0.9456700747920067
Energy: 0.8335478087923927
Energy: 0.8853737152235353
Energy: 0.8342373899338759
Energy: 0.946133533142977
Energy: 1.1686240654841447
Energy: 0.8913013011948637
Energy: 0.8905453416543063
Energy: 0.903886220260508
Energy: 0.9498412493845968
Energy: 0.9519194916408621
Energy: 0.902836412679797
Energy: 0.8718404870450457
Energy: 0.8718438339025206
Energy: 0.8807191205639806
Energy: 0.8718183291198025
Energy: 0.8749484136629972
Energy: 0.8781525483912669
Energy: 0.8722188485878064
Energy: 0.8802290403802888
Energy: 0.8835158990669504
Energy: 0.8735221348791797
Energy: 0.8776208464836387
Energy: 0.8820369565337978
Energy: 0.8753406622701113
Energy: 0.8713232405009927
Energy: 0.8765851432587449
Energy: 0.9427464887962669
Energy: 0.8668566230933071
Energy: 0.9021332236957441
Energy: 0.8027661370888456
Energy: 0.8033350102545098
Energy: 0.8850367997255566
Energy: 0.8353693759913605
Energy: 0.8348795220064728
Energy: 0.8729207131912351
Energy: 0.8081283090890208
Energy: 0.8766137424505362
Energy: 0.8787717909865036
Energy: 0.8399647084900005
Energy: 0.8758853213474169
Energy: 0.8918646460384084
Energy: 0.8752981681054539
Energy: 0.8747752564152278
Energy: 0.8731949696447897
Energy: 0.9470592274553352
Energy: 0.8827801041079333
Energy: 0.9169873284454312
Energy: 0.8773110917184022
Energy: 0.8775251059425667
Energy: 0.9501936070843681
Energy: 0.8774767843878789
Energy: 0.8764781929442115
Energy: 0.9095231438744075
Energy: 0.8844358392939347
Energy: 0.8840548353698536
Energy: 0.9473122541882572
Energy: 0.9372180652773209
Energy: 0.941804722780224
Energy: 1.0236814231285754
Energy: 0.8995234993415945
Energy: 0.8997655676454791
Energy: 0.899695162337797
Energy: 0.9475740235870946
Energy: 0.9490563742817281
Energy: 0.9446025099233494
Energy: 0.9485224890623387
Energy: 0.9492045388961895
Energy: 0.9394803138793181
Energy: 0.9485860158670227
Energy: 0.9481436966179374
Energy: 0.8910004264866122
Energy: 0.9492017622146443
Energy: 0.9490873214520932
Energy: 0.8729536194376505
Energy: 0.9541534414149538
Energy: 0.8739899270289501
Energy: 0.8701849246040584
Energy: 0.9440412267312515
Energy: 0.94160392952578
Energy: 0.8735750909638655
Energy: 0.9442721415365178
Energy: 0.9409218707660943
Energy: 0.9617233313558337
Energy: 0.9412198443774359
Energy: 0.93648096681789
Energy: 0.9369509529066112
Energy: 0.9410137490013718
Energy: 0.9349766220476702
Energy: 0.8021490894124308
Energy: 0.8886296778817495
Energy: 0.8016347739880673
Energy: 0.80274868873009
Energy: 0.9756832610967326
Energy: 0.8014370636868297
Energy: 0.8131535382456179
Energy: 0.9393040513456069
Energy: 0.9397399553037125
Energy: 0.8073570983598318
Energy: 0.9395063711400713
Energy: 0.9384269196584956
Energy: 1.0711018778408021
Energy: 0.9354744720706205
Energy: 0.9359454736960439
Energy: 0.9366248450101089
Energy: 0.9407202204786063
Energy: 0.9361543896440043
Energy: 1.2994490263545622
Energy: 1.0276098527527915
Energy: 1.0277488604723697
Energy: 0.876714258623284
Energy: 1.041674092603495
Energy: 0.9098807170834199
Energy: 0.9705166179492564
Energy: 0.9413952894111873
Energy: 0.9411227133069016
Energy: 0.9394452532591703
Energy: 0.9482827661172584
Energy: 0.9407377070173687
Energy: 0.9011908448428531
Energy: 0.9456038645219088
Energy: 0.9475249102690876
Energy: 0.9623976408918046
Energy: 0.9603457372866919
Energy: 0.9486097861104402
Energy: 1.178007344189242
Energy: 0.9508451466635752
Energy: 0.9508716695566822
Energy: 0.8840596165031922
Energy: 0.881888953618564
Energy: 0.8871656985383768
Energy: 0.9194169278593564
Energy: 0.8722305419478213
Energy: 0.8744969001227331
Energy: 0.8943846277734893
Energy: 0.8722949018435083
Energy: 0.8869844427414942
Energy: 0.8758576772436999
Energy: 0.8722962418894632
Energy: 0.8744223810420743
Energy: 0.880640518632813
Energy: 0.8720389775618401
Energy: 0.8816249853808825
Energy: 0.8864003308348029
Energy: 0.9448469611529853
Energy: 0.8753590726529042
Energy: 0.8748030540824068
Energy: 0.878045826985276
Energy: 0.8754992957299682
Energy: 0.8745796438318504
Energy: 0.8364574691060263
Energy: 0.8351523026912223
Energy: 0.8744848391902494
Energy: 0.8015490639892607
Energy: 0.8017484398429925
Energy: 0.8949774199991067
Energy: 0.8331611172962363
Energy: 0.835000957368061
Energy: 0.8756282159229362
Energy: 0.8094573135410655
Energy: 0.8665244679406989
Energy: 0.8942278170018336
Energy: 0.9425981414234313
Energy: 0.8668755893416262
Energy: 0.8786399162383279
Energy: 0.8749150142865484
Energy: 0.868499471569538
Energy: 0.9023980863631892
Energy: 0.8766824358793168
Energy: 0.8759788542291141
Energy: 0.8844707425678443
Energy: 0.8776091479542101
Energy: 0.8753974067915012
Energy: 0.9290257819166513
Energy: 0.9439344047236687
Energy: 0.9423384595580183
Energy: 0.8856972801502158
Energy: 0.8837103222209408
Energy: 0.883376853481312
Energy: 1.0220948993293235
Energy: 0.9459717379911772
Energy: 0.945192880745791
Energy: 0.9669802569875515
Energy: 0.8884548229713519
Energy: 0.9019367266002531
Energy: 0.9266164170603061
Energy: 0.9542101670734778
Energy: 0.8181518327490633
Energy: 0.8252168936526801
Energy: 0.825539394019806
Energy: 0.955172784328104
Energy: 0.9036104846140917
Energy: 0.9472463473382121
Energy: 0.8249907247218241
Energy: 0.8733203432987481
Energy: 0.8244760818556851
Energy: 0.9436181424897967
Energy: 0.8998398850157383
Energy: 0.831841132644344
Energy: 0.8246942360389642
Energy: 0.8729306589176473
Energy: 0.8246131432539066
Energy: 0.8747042878564051
Energy: 0.9667856627747214
Energy: 0.8239150293140962
Energy: 0.8122618849237585
Energy: 0.8149763709325236
Energy: 0.8211843803080743
Energy: 0.8129197444956229
Energy: 0.8687593641501348
Energy: 0.821875033293314
Energy: 0.8017398843278188
Energy: 0.802145802704933
Energy: 0.8223810627362411
Energy: 0.8607137005627004

minimum gb energy = 0.8014370636868297 eV
minimum distance =  2.31016088707577 Angstroms
sigma value = 51


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

Energy: 1.3480658880838459
Energy: 0.8441050995842623
Energy: 0.8432300126290487
Energy: 0.8557392656614374
Energy: 0.8252161426601622
Energy: 0.8557501189591233
Energy: 1.1037553296533695
Energy: 0.8385628983814262
Energy: 0.831949785679679
Energy: 0.8160547874017711
Energy: 0.8405712496033447
Energy: 0.8317135310517685
Energy: 1.2255492745259808
Energy: 0.8441025721859432
Energy: 0.8401303330286964
Energy: 0.8279934543152309
Energy: 0.8385338376996583
Energy: 0.8486350174400831
Energy: 1.224506859649662
Energy: 0.8416570214057627
Energy: 0.8376132797851856
Energy: 0.8433779634438627
Energy: 0.8399304867474624
Energy: 0.8434594632156585
Energy: 1.0281782818304914
Energy: 0.8204383230764323
Energy: 0.8224387283979326
Energy: 0.8161587282681858
Energy: 0.845894890702685
Energy: 0.8259842765732813
Energy: 1.0282450730946706
Energy: 0.8503614562867705
Energy: 0.8510435978056399
Energy: 0.8454887595330038
Energy: 0.8460423138467064
Energy: 0.8575138501594682
Energy: 1.0279484705704587
Energy: 0.8201357348459304
Energy: 0.8198989901729136
Energy: 0.8455261780211086
Energy: 0.8193169925833635
Energy: 0.8449573950867728
Energy: 0.8774849236521383
Energy: 0.8349963730210247
Energy: 0.8348158393014731
Energy: 0.8373431941622849
Energy: 0.8346054619763249
Energy: 0.8349329150172
Energy: 0.8703132008664648
Energy: 0.8387970696315592
Energy: 0.8430755340403508
Energy: 0.8428532397800764
Energy: 0.8343285513703677
Energy: 0.8423249142086535
Energy: 0.8704910215398531
Energy: 0.8321470878879924
Energy: 0.8283332651897469
Energy: 0.8388563772100089
Energy: 0.8271385309402813
Energy: 0.8324626401070282
Energy: 0.9178582627885471
Energy: 0.8379321424702801
Energy: 0.8384799476634706
Energy: 0.8257585088758246
Energy: 0.8513768048259386
Energy: 0.8442380221250606
Energy: 0.9062283758144084
Energy: 0.8317852284580948
Energy: 0.8289539250636286
Energy: 0.8390093350263553
Energy: 0.849350684208543
Energy: 0.8292434066398785
Energy: 0.9061850741948129
Energy: 0.8413114439287769
Energy: 0.849660233356013
Energy: 0.8508642858800652
Energy: 0.8373370699924831
Energy: 0.844892217425496
Energy: 0.9063592977290407
Energy: 0.8453068023113737
Energy: 0.8452956238682178
Energy: 0.8597066960855873
Energy: 0.845179561166066
Energy: 0.8508338905886822
Energy: 1.102044784631555
Energy: 0.8506612435072813
Energy: 0.8297187212610033
Energy: 0.8403629979888046
Energy: 0.8499975983593292
Energy: 0.8382978690490422
Energy: 1.1022097959898478
Energy: 0.8400523919090968
Energy: 0.8495404607824897
Energy: 0.8399403316867153
Energy: 0.8400805586986257
Energy: 0.8400577762952564
Energy: 1.124758083264473
Energy: 0.8483345170295357
Energy: 0.8347701654576495
Energy: 0.8161242986401457
Energy: 0.8478212539236835
Energy: 0.8342008704533712
Energy: 1.3394654877861678
Energy: 0.8293173559216138
Energy: 0.8356376706165625
Energy: 0.8345043695375087
Energy: 0.8383640365613402
Energy: 0.8282959077685983

minimum gb energy = 0.8160547874017711 eV
minimum distance =  2.37835964244778 Angstroms
sigma value = 19


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

Energy: 1.135680724849008
Energy: 0.8282105884045944
Energy: 0.8287098071587276
Energy: 0.8285824303363464
Energy: 0.8065089438093107
Energy: 0.8283321320042102
Energy: 1.1383308918932782
Energy: 0.8070702119548866
Energy: 0.8071630578979069
Energy: 0.8071533047055631
Energy: 0.8068734325051646
Energy: 0.8073199727272975
Energy: 0.9723869549835152
Energy: 0.8070629793346734
Energy: 0.8073269974906445
Energy: 0.8073749562521598
Energy: 0.8130262554834149
Energy: 0.8071076495756438
Energy: 0.9688589574265292
Energy: 0.8072592279018954
Energy: 0.8072217648537785
Energy: 0.8236443934613787
Energy: 0.8067320655914293
Energy: 0.8073810069959807
Energy: 0.9717220521923869
Energy: 0.829937883977336
Energy: 0.8313139604783992
Energy: 0.8318718356696059
Energy: 0.830018231932633
Energy: 0.8319934178996595
Energy: 0.97230866836762
Energy: 0.7815014446823949
Energy: 0.8302148710459202
Energy: 0.83028421964176
Energy: 0.7816110682107635
Energy: 0.8334315590500111
Energy: 0.9723251672481255
Energy: 0.831255674761816
Energy: 0.834543101691837
Energy: 0.8302114052342162
Energy: 0.8312311184136055
Energy: 0.830328441556096
Energy: 0.9208506668150418
Energy: 0.7809789204220489
Energy: 0.7815557655223687
Energy: 0.8066750395326379
Energy: 0.7810880710785242
Energy: 0.7815247265941598
Energy: 0.8185176570008904
Energy: 0.7815184961940955
Energy: 0.7815331957458401
Energy: 0.8067423100843888
Energy: 0.7813947770674646
Energy: 0.7816484695102995
Energy: 0.8183132161794969
Energy: 0.8069290871231666
Energy: 0.8069428311918453
Energy: 0.8069494094946456
Energy: 0.8315266660619006
Energy: 0.8071498423029289
Energy: 0.8186865265650936
Energy: 0.8241360919040136
Energy: 0.8240861970925002
Energy: 0.8066183833314585
Energy: 0.8236909977872595
Energy: 0.807239567742521
Energy: 0.9722983533806627
Energy: 0.8320213463187259
Energy: 0.8311346771592756
Energy: 0.8073127375859673
Energy: 0.8320734139457371
Energy: 0.8067627117167819
Energy: 0.7973070029926317
Energy: 0.8299610366264432
Energy: 0.8301309737856676
Energy: 0.7822472884610895
Energy: 0.8301688780942907
Energy: 0.8320665595139403
Energy: 0.9734776744433419
Energy: 0.8303506752803592
Energy: 0.8306921183816295
Energy: 0.791643041201642
Energy: 0.8308354246298287
Energy: 0.8319961042990512
Energy: 1.1381723158613444
Energy: 0.8069201559497665
Energy: 0.8069107509821795
Energy: 0.7825292377006198
Energy: 0.8065456966971815
Energy: 0.7815643727583528
Energy: 1.1382187513124722
Energy: 0.8078348161968284
Energy: 0.7816061416448727
Energy: 0.780950878757415
Energy: 0.8073829763476686
Energy: 0.7816765928673112
Energy: 0.9723129240709381
Energy: 0.8070764234912543
Energy: 0.80709689866511
Energy: 0.8325303064595058
Energy: 0.8069436445975483
Energy: 0.8071571954025732
Energy: 0.9672906439317434
Energy: 0.8071858777233202
Energy: 0.8072898859907249
Energy: 0.8248943238886628
Energy: 0.8070339463699389
Energy: 0.8074806292085979
Energy: 0.9672119422513195
Energy: 0.8067762394836454
Energy: 0.8070206078279768
Energy: 0.824300658435088
Energy: 0.8070303101102629
Energy: 0.8071782368625428
Energy: 0.9726519130654834
Energy: 0.7815678093271964
Energy: 0.8315156143402754
Energy: 0.8321296041659229
Energy: 0.781729241987577
Energy: 0.8340414106182602
Energy: 0.9704047391992311
Energy: 0.8300133480251637
Energy: 0.8303323048309509
Energy: 0.8305421298614347
Energy: 0.8304879430055503
Energy: 0.8301757114143375
Energy: 0.9721428228358392
Energy: 0.8311277365692571
Energy: 0.8312313503394779
Energy: 0.8303400360992061
Energy: 0.8316153523679514
Energy: 0.8298809783677118
Energy: 0.923025763243672
Energy: 0.7818438670842003
Energy: 0.7822723582068446
Energy: 0.8317463368266705
Energy: 0.7819591810819982
Energy: 0.8284167697051465
Energy: 0.8183424988373901
Energy: 0.80722354983359
Energy: 0.8071645702695796
Energy: 0.8070061336215224
Energy: 0.8172954465111207
Energy: 0.8072185770179627
Energy: 0.8185670397132675
Energy: 0.8072935149775353
Energy: 0.8071807981407957
Energy: 0.8127402488485536
Energy: 0.807721851650658
Energy: 0.8068473456581383
Energy: 0.9218301706882858
Energy: 0.8365966206009624
Energy: 0.8258753071649245
Energy: 0.8064087335932871
Energy: 0.8249501785031808
Energy: 0.8070835013090789
Energy: 0.9724575257229244
Energy: 0.8310026883703019
Energy: 0.8311365172075564
Energy: 0.8066473569906731
Energy: 0.8309392110495009
Energy: 0.8307687469775619
Energy: 0.797063946430756
Energy: 0.8300185213980228
Energy: 0.8300324713497427
Energy: 0.7820472324967698
Energy: 0.8304871353873726
Energy: 0.8326912957988408
Energy: 0.9733239318227971
Energy: 0.8298391428509899
Energy: 0.8301757961460522
Energy: 0.7911996920130236
Energy: 0.8303862827382449
Energy: 0.8337698046175442
Energy: 1.138021608291104
Energy: 0.8076540915164486
Energy: 0.7814155715131726
Energy: 0.7810505924948381
Energy: 0.8068261037504214
Energy: 0.7814225505071133

minimum gb energy = 0.780950878757415 eV
minimum distance =  2.41038151513608 Angstroms
sigma value = 27


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

Energy: 0.9738953219305636
Energy: 0.8044217182133774
Energy: 0.8041050092543272
Energy: 0.7875922695559257
Energy: 0.8344572295454276
Energy: 0.9397634344896746
Energy: 0.8595787252004873
Energy: 0.8102873632122739
Energy: 0.7733467471727189
Energy: 0.7659927654777441
Energy: 0.8092859142556559
Energy: 0.7527366591292114
Energy: 0.8764298895358646
Energy: 0.8103652146739009
Energy: 0.7739243132992234
Energy: 0.7527988889646163
Energy: 0.8104676933594427
Energy: 0.7741851538142609
Energy: 0.7737779141224386
Energy: 0.7737201245877641
Energy: 0.7732594487793917
Energy: 0.7704850096755375
Energy: 0.8102345950726536
Energy: 0.7730794378126628
Energy: 0.9608566554439724
Energy: 0.7595480322251673
Energy: 0.753463505684494
Energy: 0.8099075514864654
Energy: 0.7824896811114819
Energy: 0.7733872416806289
Energy: 0.8149118689801468
Energy: 0.76039775691097
Energy: 0.7878977966124877
Energy: 0.8091658506895046
Energy: 0.7930043376995088
Energy: 0.7608555054956658
Energy: 0.8144233221024006
Energy: 0.7663710983490528
Energy: 0.7749108985554778
Energy: 0.8097139015301004
Energy: 0.7659556212106862
Energy: 0.7730746297325335
Energy: 0.8580550227345988
Energy: 0.7697456776492366
Energy: 0.764286040894067
Energy: 0.8553377800973684
Energy: 0.7712082058552181
Energy: 0.7703724368122569
Energy: 0.8765980605062831
Energy: 0.7644416354281387
Energy: 0.7674760428686298
Energy: 0.8089101860631479
Energy: 0.7728130886639423
Energy: 0.7521911403846515
Energy: 0.7720598152988245
Energy: 0.791292968287531
Energy: 0.7917445767019726
Energy: 0.7892535709403184
Energy: 0.7901721303428928
Energy: 0.7917843594633133
Energy: 0.8768522851124848
Energy: 0.7853612790182369
Energy: 0.7871622007789958
Energy: 0.7732361776588206
Energy: 0.7863544903664611
Energy: 0.7893366072372691
Energy: 0.859578724892451
Energy: 0.7724385871030846
Energy: 0.7727059343960762
Energy: 0.766124618981617
Energy: 0.7738558938682023
Energy: 0.7524604312716945

minimum gb energy = 0.7521911403846515 eV
minimum distance =  2.4093884399615 Angstroms
sigma value = 9


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

Energy: 1.5599945934431714
Energy: 0.8263608117781587
Energy: 0.7198526858368975
Energy: 0.7217829589560114
Energy: 0.7044070391483521
Energy: 0.7763203261875644
Energy: 0.6895722863957825
Energy: 0.7070565286052432
Energy: 0.7030506996055511
Energy: 0.6897629153127977
Energy: 0.7049882568575095
Energy: 0.6974844557594815
Energy: 0.7480786525406548
Energy: 0.7066344233182212
Energy: 0.7077655925465459
Energy: 0.7159976526236556
Energy: 0.7063594468343228
Energy: 0.7067869633155188
Energy: 0.7480945284016125
Energy: 0.6767702666685009
Energy: 0.6847285577667698
Energy: 0.7055418648361824
Energy: 0.6762664291597748
Energy: 0.6839342173705262
Energy: 0.8002188645632665
Energy: 0.6684886085059085
Energy: 0.6972953573565775
Energy: 0.7163762779538633
Energy: 0.6917048223079554
Energy: 0.7032147323053648
Energy: 0.7166017150284602
Energy: 0.7137189101488743
Energy: 0.7122461126178572
Energy: 0.7165367907123822
Energy: 0.6998517237005979
Energy: 0.7092012197419262
Energy: 0.7171550483521696
Energy: 0.677486572053254
Energy: 0.6774680227143499
Energy: 0.7176336158251336
Energy: 0.679895120694869
Energy: 0.7001297942137131
Energy: 0.7327192896828195
Energy: 0.7092339235082126
Energy: 0.700485903141051
Energy: 0.7330336893339059
Energy: 0.6951279307800367
Energy: 0.7005371790983012
Energy: 0.7214568476841994
Energy: 0.7012705266387015
Energy: 0.7130886411088411
Energy: 0.7052841794679903
Energy: 0.7056858442670276
Energy: 0.7015010571960647
Energy: 0.6894205697597157
Energy: 0.7006798120285894
Energy: 0.6780486284193813
Energy: 0.7084207932980592
Energy: 0.6946410094267
Energy: 0.6684600965410987
Energy: 0.6895353151247657
Energy: 0.7178448380220727
Energy: 0.7148229063823108
Energy: 0.7122761611619095
Energy: 0.7176241820641521
Energy: 0.7130792875100217
Energy: 0.9759409394439039
Energy: 0.7181609674603997
Energy: 0.7171809039286838
Energy: 0.6786239997273973
Energy: 0.7177441148196183
Energy: 0.677546817014256
Energy: 0.7466762179572896
Energy: 0.7444298205507986
Energy: 0.6758864749107584
Energy: 0.707437294658965
Energy: 0.7140085282181302
Energy: 0.677106010878898
Energy: 0.9755828422960089
Energy: 0.7252002463177394
Energy: 0.7052364158389579
Energy: 0.6942779020771987
Energy: 0.7173391121132618
Energy: 0.7058795811532614
Energy: 0.709269002019115
Energy: 0.68227087810672
Energy: 0.6860148029139196
Energy: 0.7060755771128329
Energy: 0.6849717271325525
Energy: 0.7131345186820484
Energy: 0.7084357157112829
Energy: 0.6954925182978439
Energy: 0.7034310674778053
Energy: 0.7065213853094888
Energy: 0.712668485849102
Energy: 0.7036062068440913
Energy: 0.7087633999798044
Energy: 0.6765611141026382
Energy: 0.6751713817091952
Energy: 0.7048472500926446
Energy: 0.6768049379015324
Energy: 0.6987417168354951
Energy: 0.693630339870191
Energy: 0.7174073664921119
Energy: 0.7024565845753505
Energy: 0.7050542824140367
Energy: 0.6794342329228519
Energy: 0.7012202503259122
Energy: 0.7486904838059698
Energy: 0.6889525839905284
Energy: 0.6942099874685996
Energy: 0.7056662069242265
Energy: 0.6869349814482623
Energy: 0.6994144884612842
Energy: 0.749166158448557
Energy: 0.6885807879328439
Energy: 0.6921019493132693
Energy: 0.6857544975909713
Energy: 0.6871733641528358
Energy: 0.6924321600295503
Energy: 0.7486546809403181
Energy: 0.6948818042008316
Energy: 0.6946173728456495
Energy: 0.6896580780354347
Energy: 0.7055696716517449
Energy: 0.6947996486650848
Energy: 0.803047615716102
Energy: 0.7069209680876897
Energy: 0.6799047477544539
Energy: 0.6932416545974996
Energy: 0.7052900935461538
Energy: 0.7165499340346315
Energy: 0.9834857528459823
Energy: 0.7084054931085711
Energy: 0.7045614481022748
Energy: 0.69431367710538
Energy: 0.7034809008163827
Energy: 0.6819432311570544
Energy: 0.747390822605751
Energy: 0.7058914967747063
Energy: 0.703270953929377
Energy: 0.7170392916979332
Energy: 0.7063278280540372
Energy: 0.702002009808473
Energy: 0.9792875255268096
Energy: 0.6898900916175429
Energy: 0.69525415855558
Energy: 0.6932170520469468
Energy: 0.6775674352700723
Energy: 0.6944739305203732
Energy: 0.6933021269018107
Energy: 0.6772263507015028
Energy: 0.6774132730809777
Energy: 0.7172049020354864
Energy: 0.6909551440741941
Energy: 0.7029791588250897
Energy: 0.6765763445768836
Energy: 0.6702247536495806
Energy: 0.6707604287448389
Energy: 0.6767681471721264
Energy: 0.9381508550715254
Energy: 0.7015822956613075
Energy: 0.716994006143254
Energy: 0.6771564196909691
Energy: 0.67730142390603
Energy: 0.7172318485997162
Energy: 0.6770770988611778
Energy: 0.7170624913773748
Energy: 0.7172454532303952
Energy: 0.701515102488003
Energy: 0.7002033604233738
Energy: 0.7175217795593416
Energy: 0.6919963487554223
Energy: 0.7144989729000771
Energy: 0.7441975455038103
Energy: 0.7100897671439451
Energy: 0.7018169922033667
Energy: 0.6939505875850606
Energy: 0.6957025331084309
Energy: 0.678781542237562
Energy: 0.6897050897275532
Energy: 0.6990060065034758
Energy: 0.7017703321049572
Energy: 0.7111434181232493
Energy: 0.6965952265263132
Energy: 0.7142028545966925
Energy: 0.6937338827384323
Energy: 0.6964071228191242
Energy: 0.6989146934541208
Energy: 0.7054669042182317
Energy: 0.7167763452353305
Energy: 0.6691780625248626
Energy: 0.9762954147446131
Energy: 0.7186662917186784
Energy: 0.7202732341313093
Energy: 0.6790162261798943
Energy: 0.7184260434645126
Energy: 0.6770904538088861
Energy: 0.7494186664194233
Energy: 0.7182834982766252
Energy: 0.7189814969229528
Energy: 0.7022744269146147
Energy: 0.7171907034655615
Energy: 0.7025256847349836
Energy: 0.8568194888126451
Energy: 0.7258317429353525
Energy: 0.7050677660828982
Energy: 0.7024874948879206
Energy: 0.717099663571625
Energy: 0.7036156382227267
Energy: 0.751418333829322
Energy: 0.6871826417871546
Energy: 0.6920269101624501
Energy: 0.6798817945745482
Energy: 0.6839334824838649
Energy: 0.68336475729382
Energy: 0.7088844314711693
Energy: 0.7103061332106767
Energy: 0.708937296111052
Energy: 0.7064317319735368
Energy: 0.7072285832892471
Energy: 0.7053724524095669
Energy: 0.7088070714186674
Energy: 0.6900422121919096
Energy: 0.6950510887402208
Energy: 0.7048721661355862
Energy: 0.6887730341098943
Energy: 0.7026361754630921
Energy: 0.8183963336623246
Energy: 0.6770541941919356
Energy: 0.6772100173286858
Energy: 0.8183763262032788
Energy: 0.7095043219026015
Energy: 0.8342853912672401
Energy: 0.7480128608398363
Energy: 0.6880224628875675
Energy: 0.6942089379516609
Energy: 0.7049498265687529
Energy: 0.6884459320756476
Energy: 0.694569240559863
Energy: 0.7475520818440852
Energy: 0.6915609826251519
Energy: 0.691455739761644
Energy: 0.6853970071997062
Energy: 0.6860806560158601
Energy: 0.6913288829656538
Energy: 0.7485492984882571
Energy: 0.6873516418168034
Energy: 0.6916900547130098
Energy: 0.7041614933917123
Energy: 0.686161141095013
Energy: 0.6892085564663256
Energy: 0.9832426468598068
Energy: 0.7090468644754572
Energy: 0.6996016345740297
Energy: 0.6829167661155611
Energy: 0.7038935055417513
Energy: 0.6818860356039684

minimum gb energy = 0.6684600965410987 eV
minimum distance =  2.38123271963302 Angstroms
sigma value = 57


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

Energy: 0.36731270759788115
Energy: 0.38792921605993735
Energy: 0.3877088403498279
Energy: 0.3693952491289275
Energy: 0.41102691447980705
Energy: 0.38694014330183474
Energy: 0.3684292919219248
Energy: 0.3964608989445367
Energy: 0.3965376482130627
Energy: 0.4151334036488031
Energy: 0.3895416643247687
Energy: 0.3954782131192091
Energy: 0.44923078800167093
Energy: 0.39593740842900554
Energy: 0.39684304314435426
Energy: 0.40165533299919487
Energy: 0.3928258500188808
Energy: 0.3974834881597946
Energy: 0.449435646450042
Energy: 0.3987735163272105
Energy: 0.399533773649701
Energy: 0.3911676181518394
Energy: 0.396020506239118
Energy: 0.39794568240717276
Energy: 0.4446526196710246
Energy: 0.38841512351973384
Energy: 0.3889805477748985
Energy: 0.39501521195822814
Energy: 0.3727306121897402
Energy: 0.397570306420245
Energy: 0.41112291571911896
Energy: 0.38568202357871
Energy: 0.3870044673643977
Energy: 0.3964222204282385
Energy: 0.3690886748249051
Energy: 0.3861331327020016
Energy: 0.4058108638488879
Energy: 0.3962135162587709
Energy: 0.3970376075600598
Energy: 0.41258249950721226
Energy: 0.3924288391039125
Energy: 0.39536113606966333
Energy: 0.4110926165957987
Energy: 0.3961751374438477
Energy: 0.3974579842475256
Energy: 0.4031754561919504
Energy: 0.3923250154329658
Energy: 0.3995166333792876
Energy: 0.44397866227876387
Energy: 0.39633668912815295
Energy: 0.3957283369726452
Energy: 0.4160862028813721
Energy: 0.41465094325789886
Energy: 0.3966224836945592
Energy: 0.3684048097218251
Energy: 0.39749162475038097
Energy: 0.3861035341489152
Energy: 0.3687364240785402
Energy: 0.41512047390971285
Energy: 0.38771357746413243
Energy: 0.3684098244274183
Energy: 0.3958167123228505
Energy: 0.39764586300877125
Energy: 0.3696866559245237
Energy: 0.39317323047404884
Energy: 0.38775209856162884
Energy: 0.44635293548461724
Energy: 0.39721776946864323
Energy: 0.3957196001592426
Energy: 0.3942648765003573
Energy: 0.41595703525655325
Energy: 0.39600399121155744
Energy: 0.4496386840473583
Energy: 0.40823129564003535
Energy: 0.4056402050649842
Energy: 0.39382415058634884
Energy: 0.4187856746434689
Energy: 0.4011727267690151
Energy: 0.44512468634498364
Energy: 0.3994483435481693
Energy: 0.3963837511022499
Energy: 0.3924117370294712
Energy: 0.4157254580820577
Energy: 0.3970425189489655
Energy: 0.44928251749680576
Energy: 0.38059430576365794
Energy: 0.3852653200937733
Energy: 0.3938748989935842
Energy: 0.371872490589058
Energy: 0.38757185248908
Energy: 0.4081660668350154
Energy: 0.39427891033494955
Energy: 0.39476972656105036
Energy: 0.3870783533807177
Energy: 0.3898352612953479
Energy: 0.3967245343998862
Energy: 0.4105826631482779
Energy: 0.3934329990258864
Energy: 0.3956041751648992
Energy: 0.41730708039526043
Energy: 0.4033196388149663
Energy: 0.3966528587445983
Energy: 0.4483182924149467
Energy: 0.396493825120137
Energy: 0.3973856389011416
Energy: 0.4195101219852751
Energy: 0.3955149863249251
Energy: 0.40062855051249335
Energy: 0.3684453044040711
Energy: 0.3965236749326769
Energy: 0.3972583890011405
Energy: 0.3704191849365197
Energy: 0.39238794176665803
Energy: 0.3960952184094568

minimum gb energy = 0.36731270759788115 eV
minimum distance =  2.45114456777226 Angstroms
sigma value = 11


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

Energy: 1.2261186820450998
Energy: 0.5649696321739259
Energy: 0.6813127448983841
Energy: 0.6011429802358974
Energy: 0.71706913343567
Energy: 0.6803044657624193
Energy: 0.5901443842998927
Energy: 0.579048370358001
Energy: 0.5767805929963584
Energy: 0.5734425495452515
Energy: 0.5762012742803431
Energy: 0.5776252511760428
Energy: 0.5781225027932685
Energy: 0.577965525595861
Energy: 0.5805718544768391
Energy: 0.5743225208860643
Energy: 0.5781903062557158
Energy: 0.5798898046947503
Energy: 0.5777234202081689
Energy: 0.5820893295772959
Energy: 0.5810581487993784
Energy: 0.5741106239637351
Energy: 0.5774441593127803
Energy: 0.5787749654735337
Energy: 0.5760312874659147
Energy: 0.6212681244903467
Energy: 0.6211394492402013
Energy: 0.5730226293267707
Energy: 0.6277099804751313
Energy: 0.5781374701066341
Energy: 0.8000865100678057
Energy: 0.6220120263870444
Energy: 0.6238587196312573
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Energy: 0.5777899494312589
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Energy: 0.6632514383460103
Energy: 0.5758707006462471
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Energy: 0.6655160797699005
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Energy: 0.5758968061743692
Energy: 0.5788125809639518
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Energy: 0.6225815071162458
Energy: 0.6229322973902938
Energy: 0.6994892987773633
Energy: 0.6174917414050785
Energy: 0.6251289206523581
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Energy: 0.6216302899999876
Energy: 0.6219376607054411
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Energy: 0.6171755638712524
Energy: 0.6206288191450293
Energy: 0.8923048390759538
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Energy: 0.5783796970244527
Energy: 0.5660785001299805
Energy: 0.5801907500038251
Energy: 0.6937922593069654
Energy: 0.6668230418252531
Energy: 0.6647865479720645
Energy: 0.6659846112042068
Energy: 0.6700150002265107
Energy: 0.6636295730364471
Energy: 0.6946293479428558
Energy: 0.8741021427713226
Energy: 0.6807952668014479
Energy: 0.6352684674086329
Energy: 0.658607629509638
Energy: 0.7534316479232962
Energy: 1.0310028800307711
Energy: 0.6661712395534243
Energy: 0.6644112723939187
Energy: 0.6703314349003858
Energy: 0.6693807258011636
Energy: 0.6645610726793608
Energy: 0.8920733980578863
Energy: 0.6201350179909387
Energy: 0.5840794263557445
Energy: 0.7972818837954985
Energy: 0.6206063759535798
Energy: 0.5818568567660696
Energy: 1.0863443960978998
Energy: 0.6662463243858673
Energy: 0.6658044488792297
Energy: 0.5819096775569866
Energy: 0.6211071476936754
Energy: 0.6643727064630589
Energy: 0.9856365639458345
Energy: 0.5770866388187741
Energy: 0.5776621272173093
Energy: 0.6218610459997385
Energy: 0.5782385772642968
Energy: 0.6230769686858689
Energy: 0.7453545169580619
Energy: 0.6746369144756735
Energy: 0.6753677713468895
Energy: 0.6923273703079172
Energy: 0.5862482074637165
Energy: 0.5818176220670292
Energy: 1.0332266823177882
Energy: 0.6230190159508905
Energy: 0.621471821242506
Energy: 0.6165696797119734
Energy: 0.6659063444206553
Energy: 0.6201019661676314
Energy: 0.828334532519004
Energy: 0.583445552884777
Energy: 0.5843684963216645
Energy: 0.6307327284022001
Energy: 0.584036678874591
Energy: 0.6750903520733463
Energy: 0.5777470690356649
Energy: 0.6258269789313108
Energy: 0.6236315891410242
Energy: 0.6271457808972914
Energy: 0.6260405149639063
Energy: 0.6217943537292422
Energy: 0.6594199489541619
Energy: 0.577310697042866
Energy: 0.5847590711871457
Energy: 0.5778032504902886
Energy: 0.5747727595713833
Energy: 0.5806323456043981
Energy: 0.6703382021338906
Energy: 0.5766582007543087
Energy: 0.5838076541175642
Energy: 0.5772244457505047
Energy: 0.5736244150157744
Energy: 0.5814898536720456
Energy: 0.5609485797934675
Energy: 0.5775285701416978
Energy: 0.578344009402192
Energy: 0.6698962893842262
Energy: 0.5742000835645024
Energy: 0.5769393186102599

minimum gb energy = 0.5609485797934675 eV
minimum distance =  2.40976991537652 Angstroms
sigma value = 41


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

Energy: 1.1518949382094192
Energy: 0.6338226196385509
Energy: 0.6112907032351446
Energy: 0.9024499498773452
Energy: 0.617526392760209
Energy: 0.9032288995493235
Energy: 0.6437205876575494
Energy: 0.6171307915568242
Energy: 0.6170111069953512
Energy: 0.6150652674873774
Energy: 0.6178961637219391
Energy: 0.6187886709204631
Energy: 0.6222469858352643
Energy: 0.6160716060537488
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Energy: 0.6154821340657494
Energy: 0.6155965907312367
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Energy: 0.622229413449678
Energy: 0.6162879404892696
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Energy: 0.6167266039009334
Energy: 0.6164612169050832
Energy: 0.6154591814857131
Energy: 0.6207881638154911
Energy: 0.621976851023627
Energy: 0.6192993969005313
Energy: 0.6167943350314634
Energy: 0.6178757502089656
Energy: 0.6172822165780604
Energy: 0.9143799410304019
Energy: 0.6172059805110666
Energy: 0.6151030171391046
Energy: 0.6182985576834997
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Energy: 0.615573063764644
Energy: 0.9220128654230061
Energy: 0.6165592711016057
Energy: 0.6165945288458201
Energy: 0.6162479400536335
Energy: 0.6162897845047021
Energy: 0.61601830074495
Energy: 0.6445309346011233
Energy: 0.6150854350185609
Energy: 0.6151732883076735
Energy: 0.6089556910535568
Energy: 0.6159283858677761
Energy: 0.6113287849128367
Energy: 0.9139812364900924
Energy: 0.6162090882484886
Energy: 0.6184838644288442
Energy: 0.6167969509160078
Energy: 0.6169381172490614
Energy: 0.6171403542449371
Energy: 0.8731188231875981
Energy: 0.6158196763969832
Energy: 0.6165950440380819
Energy: 0.7700433828771445
Energy: 0.6140412846758273
Energy: 0.6161041636767416
Energy: 0.872972788371648
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Energy: 0.6130000987630598
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Energy: 0.6145346367202006
Energy: 0.6153428638125182
Energy: 1.0683060873944203
Energy: 0.5971909849882336
Energy: 0.5979202524699478
Energy: 0.6142919324241085
Energy: 0.5965717159494321
Energy: 0.614641376856498
Energy: 0.6239259329655499
Energy: 0.5977742283563148
Energy: 0.5977643785891765
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Energy: 0.6177217083629841
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Energy: 0.7568002919025917
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Energy: 0.6392483230509394
Energy: 0.6382317227822685
Energy: 0.6170558237386898
Energy: 0.638919529042247
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Energy: 0.6155509814717464
Energy: 0.615684011628538
Energy: 0.6160681618870496
Energy: 0.6153360213589073
Energy: 0.615905651706662
Energy: 1.1020612785001032
Energy: 0.6199891116041727
Energy: 0.5966081806521413
Energy: 0.9404693907318397
Energy: 0.6159724773330179
Energy: 0.5975657496782779
Energy: 0.643700543510997
Energy: 0.6161239212641009
Energy: 0.6163896508898711
Energy: 0.5972700974039614
Energy: 0.6150573078229369
Energy: 0.6115592024711691
Energy: 0.6229542795152847
Energy: 0.6158414474964355
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Energy: 0.6157054429494239
Energy: 0.6156935217956802
Energy: 0.615125728929542
Energy: 0.6218884141922763
Energy: 0.6167916015729848
Energy: 0.616146127018413
Energy: 0.6155560859673417
Energy: 0.6165615511844382
Energy: 0.6157271441879973
Energy: 0.621051731831394
Energy: 0.6152420556534461
Energy: 0.6147061395491685
Energy: 0.6202387549487409
Energy: 0.6150113293891751
Energy: 0.6171867731000202
Energy: 1.0078725323630329
Energy: 0.6194577315102572
Energy: 0.7685329671934009
Energy: 0.6339731287866064
Energy: 0.7676955940711746
Energy: 0.7686763629389955
Energy: 0.9141592489976976
Energy: 0.6163610612757712
Energy: 0.6164142005992017
Energy: 0.6189577778685724
Energy: 0.6171911589827116
Energy: 0.6173829377086414
Energy: 0.644197956905345
Energy: 0.7577297844770656
Energy: 0.757176244838176
Energy: 0.5970238555763537
Energy: 0.7594114485396433
Energy: 0.5990706739951064
Energy: 0.877744115292317
Energy: 0.6164428936226276
Energy: 0.6157458423147875
Energy: 0.6181574449284689
Energy: 0.615329975667679
Energy: 0.6166176124049958
Energy: 0.872749458480955
Energy: 0.6154787177121706
Energy: 0.6154810270885376
Energy: 0.6180066508834142
Energy: 0.6145044324915943
Energy: 0.6130158619161818
Energy: 0.8734162202343908
Energy: 0.6163474551826612
Energy: 0.616324127311649
Energy: 0.6209047372149656
Energy: 0.616366561222469
Energy: 0.6156729532144141
Energy: 0.9143147046491582
Energy: 0.6199206231931713
Energy: 0.6161165619339286
Energy: 0.6148662693652529
Energy: 0.6082928504249117
Energy: 0.6164779665142577
Energy: 0.6238186061992756
Energy: 0.5970179567926385
Energy: 0.609260833118861
Energy: 0.6186008223363119
Energy: 0.5975472511774385
Energy: 0.5971738285161958
Energy: 0.7295289779797559
Energy: 0.6877601134956293
Energy: 0.6892542031956573
Energy: 0.6142006039225165
Energy: 0.6177112964204494
Energy: 0.617080115775262
Energy: 0.6269798403071617
Energy: 0.6156477044503735
Energy: 0.6148669024843262
Energy: 0.6150195050356848
Energy: 0.6159481473877304
Energy: 0.6160660795505809
Energy: 0.7707053824798774
Energy: 0.6163565699671496
Energy: 0.6168110715999501
Energy: 0.6167135853731391
Energy: 0.6155192954595063
Energy: 0.6160981909025888
Energy: 1.1014670228536383
Energy: 0.6166303481023545
Energy: 0.5965741464521239
Energy: 0.6137952276429889
Energy: 0.6158536699233191
Energy: 0.5964278048183241

minimum gb energy = 0.5963983764957028 eV
minimum distance =  2.39388857679165 Angstroms
sigma value = 33


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

Energy: 0.758693255136158
Energy: 0.6663704330856995
Energy: 0.6652369473144089
Energy: 0.6629258723373485
Energy: 0.7523623366814305
Energy: 0.6661501499322443
Energy: 0.7414613172023231
Energy: 0.6568660755912061
Energy: 0.6622883880928921
Energy: 0.6615071487465012
Energy: 0.6582307770414727
Energy: 0.6586019124844019
Energy: 0.6776545139233683
Energy: 0.6604140217983744
Energy: 0.6610255435153727
Energy: 0.6602786884181346
Energy: 0.6596405814174289
Energy: 0.6603297866082763
Energy: 0.6777404236064049
Energy: 0.6598475568421801
Energy: 0.6603585589940977
Energy: 0.6595646589888168
Energy: 0.661624403471262
Energy: 0.6594022628777862
Energy: 0.674962067124691
Energy: 0.6621519985011988
Energy: 0.6623959471469268
Energy: 0.6594461317193224
Energy: 0.6662936062664244
Energy: 0.6635059405348113
Energy: 0.95873820646413
Energy: 0.6432819907263961
Energy: 0.64470258627497
Energy: 0.643105863463204
Energy: 0.6532439926767818
Energy: 0.6519948322566469
Energy: 0.7097864233995327
Energy: 0.6579332853903687
Energy: 0.6599380296100137
Energy: 0.6604826742019329
Energy: 0.6615550494245663
Energy: 0.6584580094062322
Energy: 0.7051254118438195
Energy: 0.6582612003448873
Energy: 0.6596667982994802
Energy: 0.6460870293349457
Energy: 0.6583405072574994
Energy: 0.6601236136403736
Energy: 0.7094842823807695
Energy: 0.6507397070994062
Energy: 0.6607424370634242
Energy: 0.6443260382188378
Energy: 0.6451497178215918
Energy: 0.6433584938650703
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Energy: 0.6596177161445214
Energy: 0.6590363257137201
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Energy: 0.6592101346175133
Energy: 0.6607220414306564
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Energy: 0.6420944822336311
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Energy: 0.6487766362987542
Energy: 0.6420655072337413
Energy: 0.6739938158518387
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Energy: 0.6419074734322641
Energy: 0.6432808819521574
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Energy: 0.6424002184772271
Energy: 0.6798569146273268
Energy: 0.6588156325883977
Energy: 0.6593137092768961
Energy: 0.6597151901070635
Energy: 0.6619732156938062
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Energy: 0.6415894757661034
Energy: 0.6593865872188709
Energy: 0.6594304662270901
Energy: 0.6604213570887262
Energy: 0.6587950289303074
Energy: 0.659288499768125
Energy: 0.6763629899115366
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Energy: 0.6584299790350603
Energy: 0.6613652215941438
Energy: 0.6606576491617389
Energy: 0.6627301359283647
Energy: 1.0266184980364015
Energy: 0.6436122658261412
Energy: 0.6616471873899288
Energy: 0.8877429491649227
Energy: 0.6435074972367527
Energy: 0.6455368831721943
Energy: 0.7100345453095908
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Energy: 0.662499173041754
Energy: 0.6438636454205005
Energy: 0.6625519017576296
Energy: 0.6775729668126991
Energy: 0.6483072919538723
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Energy: 0.6493727698026425
Energy: 0.6601477771504627
Energy: 0.6436666381106314
Energy: 0.6437008643733847
Energy: 0.6430209913541753
Energy: 0.6599040628519072
Energy: 0.6493361782074292
Energy: 0.6642587988152464
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Energy: 0.680209032943836
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Energy: 0.675677655559886
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Energy: 0.6583269955260278
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Energy: 0.6765074779289979
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Energy: 0.7067314643506933
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Energy: 0.657182050896493
Energy: 0.7158885289728378
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Energy: 0.6813772364285706
Energy: 0.6638897983402565
Energy: 0.6791513364556311
Energy: 0.6767134668354632
Energy: 0.6605047774775459
Energy: 0.661914106219426
Energy: 0.6450401935684122
Energy: 0.6605952393183911
Energy: 0.6575620651781955
Energy: 1.405293286259788
Energy: 0.644042945004376
Energy: 0.6432284396504628
Energy: 0.6422476999291853
Energy: 0.6443021874289466
Energy: 0.6428294889602194

minimum gb energy = 0.6412866089522669 eV
minimum distance =  2.40063014813439 Angstroms
sigma value = 67


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

Energy: 0.9902347396830965
Energy: 0.7176914603863168
Energy: 0.7177921553293705
Energy: 0.7179971259347089
Energy: 1.157082671092416
Energy: 0.7176082871387593
Energy: 0.7684071141175594
Energy: 0.6969434256357222
Energy: 0.6981043612292832
Energy: 0.6970819827868454
Energy: 0.697056888445707
Energy: 0.6971254096019939
Energy: 0.7244480027767805
Energy: 0.6826762710939354
Energy: 0.6983491549523482
Energy: 0.6960495348650653
Energy: 0.6808750198017226
Energy: 0.6981862525341829
Energy: 0.7246967076358282
Energy: 0.695004887659864
Energy: 0.6949693969207967
Energy: 0.6958583578705853
Energy: 0.6961818827323711
Energy: 0.6952127102236069
Energy: 0.729769812501991
Energy: 0.6989942270978674
Energy: 0.6994991141921045
Energy: 0.7003721769862202
Energy: 0.6986980532534192
Energy: 0.6985780930553555
Energy: 0.7307985721116751
Energy: 0.7089246607581248
Energy: 0.6997375766024392
Energy: 0.7025776277685125
Energy: 0.7086141470009385
Energy: 0.6998072348283799
Energy: 0.7683957718716647
Energy: 0.7067260420854214
Energy: 0.6978087024676902
Energy: 0.6734082820734812
Energy: 0.6974884132205931
Energy: 0.6973135518938762

minimum gb energy = 0.6734082820734812 eV
minimum distance =  2.43077000814246 Angstroms
sigma value = 3


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

Energy: 1.0109341609683695
Energy: 0.7857956767936846
Energy: 0.768355834314809
Energy: 0.8167977633297219
Energy: 0.8611116422179924
Energy: 0.7657084246568756
Energy: 0.8045952157564793
Energy: 0.804425525238362
Energy: 0.8053562567598389
Energy: 0.8070740236409766
Energy: 0.8099441285587611
Energy: 0.8071776070474895
Energy: 0.8036221621137163
Energy: 0.8013241535805732
Energy: 0.800883875407411
Energy: 0.7988977760717603
Energy: 0.8037983661169007
Energy: 0.8125275552694713
Energy: 0.8122903323270935
Energy: 0.811642934611501
Energy: 0.8097034098747489
Energy: 0.8110541468541002
Energy: 0.8028321786436726
Energy: 0.8109111977642239
Energy: 0.7786974662607438
Energy: 0.7726325876667327
Energy: 0.7718724520177591
Energy: 0.7759440668475067
Energy: 0.7751183520399131
Energy: 0.7858249408285846
Energy: 0.779908661190665
Energy: 0.774504939897489
Energy: 0.7741558610399515
Energy: 0.7708903818247513
Energy: 0.7754259048345573
Energy: 0.7766048713154692
Energy: 0.7831051810990508
Energy: 0.7643123507874428
Energy: 0.7726484750023449
Energy: 0.7689827187638166
Energy: 0.7642970390786163
Energy: 0.7713565042884484
Energy: 0.9959002239340518
Energy: 0.8042457977257828
Energy: 0.813629712364706
Energy: 0.8283762961051546
Energy: 0.8291438871826464
Energy: 0.8187396861570052
Energy: 0.7854082867956551
Energy: 0.7770678356537557
Energy: 0.7959698154674008
Energy: 0.7705650278163297
Energy: 0.778326517713035
Energy: 0.7982022481526265
Energy: 0.7825643460096966
Energy: 0.8017524167198937
Energy: 0.8024158451167065
Energy: 0.8017771113315241
Energy: 0.8255618930088128
Energy: 0.7888555581382137
Energy: 0.8315305654085213
Energy: 0.7729332496731108
Energy: 0.7584931220334041
Energy: 0.7648628152839009
Energy: 0.758897983718847
Energy: 0.787336037706035
Energy: 0.8239891952060552
Energy: 0.7867522228337084
Energy: 0.7714309935460183
Energy: 0.7704398916127773
Energy: 0.7869551383353245
Energy: 0.7735708636164378
Energy: 0.8061945328035114
Energy: 0.7724497376605461
Energy: 0.770159860949864
Energy: 0.7631446438880003
Energy: 0.7759477333822806
Energy: 0.7742417187920185
Energy: 0.8437367789684742
Energy: 0.7816920298517139
Energy: 0.7793206132553869
Energy: 0.8000974834744483
Energy: 0.7931015376948051
Energy: 0.7790003824099264
Energy: 0.8433698479703168
Energy: 0.8671665262385998
Energy: 0.849004529557457
Energy: 0.7867824213803899
Energy: 0.8600848098136599
Energy: 0.8200112493439181
Energy: 0.8829361855899336
Energy: 0.8157300712260053
Energy: 0.8190727717989355
Energy: 0.7988668246783797
Energy: 0.8125316777539239
Energy: 0.8103963172558993
Energy: 0.8907355399987593
Energy: 0.7556362964504801
Energy: 0.7815925695624678
Energy: 0.7961351191224681
Energy: 0.8029717134499507
Energy: 0.7786376323822258
Energy: 0.9477540665796867
Energy: 0.78402317214282
Energy: 0.8337299915177541
Energy: 0.8172331424209887
Energy: 0.7856824560943789
Energy: 0.833352231667996
Energy: 0.9364713455911211
Energy: 0.8322386295812982
Energy: 0.8281869827874078
Energy: 0.823492907277817
Energy: 0.8400843981171328
Energy: 0.820660452263673
Energy: 0.8632466819292649
Energy: 0.8118044015279935
Energy: 0.8083469631706026
Energy: 0.8240754556497148
Energy: 0.8122993448909571
Energy: 0.8362396225832064
Energy: 0.7863144980472685
Energy: 0.761560671328705
Energy: 0.7687274397694622
Energy: 0.7623878217396921
Energy: 0.7655844779574567
Energy: 0.7696316911919977
Energy: 0.7867669149938895
Energy: 0.7613337084618503
Energy: 0.7634958566242205
Energy: 0.7680211519488834
Energy: 0.7654412650324001
Energy: 0.7658448034931885
Energy: 0.8003519492089789
Energy: 0.7816049223655857
Energy: 0.7782512154904329
Energy: 0.7770058955389635
Energy: 0.7751055340663359
Energy: 0.7763765035180323
Energy: 0.7998395462755673
Energy: 0.8233011593384416
Energy: 0.8207491422227264
Energy: 0.781550090802133
Energy: 0.8279352348983594
Energy: 0.7833973923679984
Energy: 0.8009015046099319
Energy: 0.7866336079457565
Energy: 0.7890156591548039
Energy: 0.7921054875917114
Energy: 0.7812946426439723
Energy: 0.7999411899141744
Energy: 0.9237081538021797
Energy: 0.7788157695254903
Energy: 0.7732533698607641
Energy: 0.7943885850482991
Energy: 0.7739301511915059
Energy: 0.7487135762366609
Energy: 0.767235725053332
Energy: 0.8005145148804073
Energy: 0.8028604262122377
Energy: 0.7938310437610022
Energy: 0.8014218886984696
Energy: 0.7903830150543595
Energy: 0.78442235818066
Energy: 0.7870382040832806
Energy: 0.7914592883385277
Energy: 0.7940618827550077
Energy: 0.7854934572293103
Energy: 0.7885589698614008
Energy: 0.7988099786716973
Energy: 0.8029797945239362
Energy: 0.7961413123455496
Energy: 0.7955161848581712
Energy: 0.8040440848387883
Energy: 0.7979876735709425
Energy: 0.8139701799280512
Energy: 0.7828902734881137
Energy: 0.7876853268993181
Energy: 0.8103187736661374
Energy: 0.7780759458988709
Energy: 0.7856979695632139
Energy: 0.7869573011697998
Energy: 0.7854408589090371
Energy: 0.7839325372272608
Energy: 0.7838644802825854
Energy: 0.7824053993898983
Energy: 0.7810601538116079
Energy: 0.800410022341456
Energy: 0.7748076512988187
Energy: 0.7793874508862126
Energy: 0.7827452683281932
Energy: 0.773497362653625
Energy: 0.7882464893096125
Energy: 0.9053943068887739
Energy: 0.7730075237290711
Energy: 0.804571226641705
Energy: 0.8271475043411406
Energy: 0.7708874973262354
Energy: 0.7810369221937911
Energy: 0.8581720486579284
Energy: 0.7820206885770405
Energy: 0.7763972619009938
Energy: 0.801123183952368
Energy: 0.7935158363266375
Energy: 0.7762427543528592
Energy: 0.8790979662565567
Energy: 0.803060429292997
Energy: 0.8033156417187028
Energy: 0.8395546333351072
Energy: 0.7994741251358004
Energy: 0.7901023063284858
Energy: 0.8205371491706033
Energy: 0.8006509919079822
Energy: 0.8024396279314013
Energy: 0.7649996494371392
Energy: 0.8254960848635168
Energy: 0.759104392778708
Energy: 0.8211717695087939
Energy: 0.7781592840000217
Energy: 0.7791102026572332
Energy: 0.7669452941384952
Energy: 0.7770822593502053
Energy: 0.7795452113780689
Energy: 0.8089074039013862
Energy: 0.8448696548366081
Energy: 0.8466507654605592
Energy: 0.7661071971335032
Energy: 0.7765198237561953
Energy: 0.852694559950079
Energy: 0.8013599054101399
Energy: 0.7845079312323475
Energy: 0.7844432483280986
Energy: 0.7833448299857542
Energy: 0.78441652296621
Energy: 0.7838360320802853
Energy: 0.841955743440847
Energy: 0.8165320455338714
Energy: 0.8137382099821389
Energy: 0.7845982485211901
Energy: 0.7976732479267789
Energy: 0.8141595620473656
Energy: 0.8828927968785804
Energy: 0.8198504818738095
Energy: 0.811781630755437
Energy: 0.8115832795012702
Energy: 0.8258355774952539
Energy: 0.8119098576393259
Energy: 0.8798676982043839
Energy: 0.7669258400336716
Energy: 0.7738505706231968
Energy: 0.7959975325105112
Energy: 0.8026362317721025
Energy: 0.832340915946466
Energy: 0.9400388212566756
Energy: 0.8049957096462158
Energy: 0.7560622886440621
Energy: 0.8092587950326497
Energy: 0.8041706168489388
Energy: 0.7758346009779612
Energy: 0.8758996075394858
Energy: 0.8190130080995134
Energy: 0.8108759405662316
Energy: 0.799366199995513
Energy: 0.8158697573905221
Energy: 0.811249223916808
Energy: 1.1525898381613977
Energy: 0.8125641780013988
Energy: 0.8093329855167086
Energy: 0.8036699026968356
Energy: 0.8196543228666207
Energy: 0.809254692653273
Energy: 0.7844008511617305
Energy: 0.7613073160751606
Energy: 0.760037069383327
Energy: 0.7579220650715373
Energy: 0.7649699196871403
Energy: 0.7564363479275927
Energy: 0.779038973038412
Energy: 0.7594226580867987
Energy: 0.7552664196240213
Energy: 0.7585261533260863
Energy: 0.7585059346486972
Energy: 0.7555828538332559
Energy: 0.7791754167275777
Energy: 0.7653335477307825
Energy: 0.7638421524430765
Energy: 0.7580494694148361
Energy: 0.7607497061487646
Energy: 0.7632282122692161
Energy: 0.8181512960825533
Energy: 0.8206086730891483
Energy: 0.8031984009338192
Energy: 0.8132488275492128
Energy: 0.8237067680768078
Energy: 0.8028290305548103
Energy: 0.7981600246354087
Energy: 0.8225899340793146
Energy: 0.8222596869800958
Energy: 0.8350303674102456
Energy: 0.8236128671754013
Energy: 0.8119349882849934
Energy: 0.8031268880896154
Energy: 0.7977456113793221
Energy: 0.7986117969621629
Energy: 0.7944212037628966
Energy: 0.7982104797859603
Energy: 0.7953722618464748

minimum gb energy = 0.7487135762366609 eV
minimum distance =  2.35720539371886 Angstroms
sigma value = 81


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

Energy: 1.3980238552979238
Energy: 0.8026560398467841
Energy: 0.8067265745555119
Energy: 0.801949922468206
Energy: 0.8167428544663824
Energy: 0.8078628259301018
Energy: 0.742380643037383
Energy: 0.7460430259586498
Energy: 0.7455729713302568
Energy: 0.7918057207597228
Energy: 0.7603032710286463
Energy: 0.7516264615464555
Energy: 0.8281851220329827
Energy: 0.7363204644886681
Energy: 0.7342689306364129
Energy: 0.7864324634157512
Energy: 0.7346632430388534
Energy: 0.7957020736413545
Energy: 0.7765680923362213
Energy: 0.7352291106419336
Energy: 0.7457593663286806
Energy: 0.7498553582717151
Energy: 0.7368498731823723
Energy: 0.7470372813410849
Energy: 0.7739545841313441
Energy: 0.8086523069291436
Energy: 0.8036690459654088
Energy: 0.764628813996657
Energy: 0.8067961973395044
Energy: 0.7542939790560688
Energy: 0.8045367747458366
Energy: 0.8072715120934725
Energy: 0.7918668490799845
Energy: 0.7918518426336918
Energy: 0.8069697871612352
Energy: 0.791553345667387
Energy: 0.7946611004647824
Energy: 0.7466166281290084
Energy: 0.7467672770774587
Energy: 0.8016672855170436
Energy: 0.7503231035442063
Energy: 0.7451730787205262
Energy: 0.8542267558982939
Energy: 0.8165784474366329
Energy: 0.805816841442271
Energy: 0.7472235873891785
Energy: 0.8306330777561339
Energy: 0.7486636970094087
Energy: 0.7938224183287538
Energy: 0.7467892468115884
Energy: 0.741096945716705
Energy: 0.802807766543583
Energy: 0.7459925989957594
Energy: 0.743866253801509
Energy: 0.8280964244216167
Energy: 0.8274374907357424
Energy: 0.8277888394832633
Energy: 0.8373909465163768
Energy: 0.8273775409362807
Energy: 0.8274096872731486
Energy: 0.769188415962644
Energy: 0.7703779110393993
Energy: 0.7707085187944652
Energy: 0.7600967573209801
Energy: 0.7077817002624298
Energy: 0.7519532285230311
Energy: 0.7583908865001695
Energy: 0.7484914253539371
Energy: 0.7480877130640831
Energy: 0.733092485967554
Energy: 0.751130773854256
Energy: 0.7465330057643612
Energy: 0.7592534502471622
Energy: 0.7836445923264846
Energy: 0.747882357007711
Energy: 0.7349037105469372
Energy: 0.7553283082554668
Energy: 0.7347231372087069
Energy: 0.7926874800835146
Energy: 0.7582162896378192
Energy: 0.7582092123778386
Energy: 0.7534941807740891
Energy: 0.7706668098972812
Energy: 0.7577540099033598
Energy: 0.8567394197252136
Energy: 0.8601484752339008
Energy: 0.8048861842541115
Energy: 0.7991324533304711
Energy: 0.8384701091643866
Energy: 0.7966066984724965
Energy: 0.8572268163952259
Energy: 0.8008073282869335
Energy: 0.8008806674121179
Energy: 0.7967700644413985
Energy: 0.8006087885315201
Energy: 0.7586246521275924
Energy: 0.8591784813496429
Energy: 0.7524442648290459
Energy: 0.7518298876994547
Energy: 0.7940716090733111
Energy: 0.7432070322323678
Energy: 0.7477208996932974
Energy: 0.8934497292234753
Energy: 0.8083365561143453
Energy: 0.8086422824174575
Energy: 0.8148439155010145
Energy: 0.7976723766561075
Energy: 0.7468739382256102
Energy: 0.899701284214853
Energy: 0.7897316866335715
Energy: 0.823538834356775
Energy: 0.8218693068636604
Energy: 0.7886416941863752
Energy: 0.8230488193406252
Energy: 0.9023808026167178
Energy: 0.7892912497282428
Energy: 0.8247017519101374
Energy: 0.8237957525647804
Energy: 0.7889456661540235
Energy: 0.8243283604054206
Energy: 0.7613866771634759
Energy: 0.7549787055737074
Energy: 0.7468186939709639
Energy: 0.7492681504152076
Energy: 0.7548415221603046
Energy: 0.7468976968629526
Energy: 0.7841218230086339
Energy: 0.7355350656196817
Energy: 0.7342136172033424
Energy: 0.7512067555529249
Energy: 0.7334758952395307
Energy: 0.7370106598602593
Energy: 0.784111063697715
Energy: 0.7527419790813067
Energy: 0.7555611094621065
Energy: 0.7549622819183354
Energy: 0.7523728981000515
Energy: 0.7564687722179918
Energy: 0.80440484513207
Energy: 0.7964583562893401
Energy: 0.8171336966928668
Energy: 0.8008959729598818
Energy: 0.796118480373252
Energy: 0.7986756954630744
Energy: 0.8035234695226354
Energy: 0.7564537978946577
Energy: 0.7958366660212226
Energy: 0.8002745222673299
Energy: 0.8045147124308668
Energy: 0.7951914264420149
Energy: 0.8735378994546985
Energy: 0.8308514433225188
Energy: 0.8063468858729598
Energy: 0.746745686043815
Energy: 0.7968288231757303
Energy: 0.8071645189130386
Energy: 0.8587873914877003
Energy: 0.8104313635035322
Energy: 0.8070123764672539
Energy: 0.7970060324528058
Energy: 0.8040345340439486
Energy: 0.8058437606351485
Energy: 0.7938398797936741
Energy: 0.7696687193089513
Energy: 0.784556629839202
Energy: 0.7872677815908303
Energy: 0.7749834746813712
Energy: 0.7855518732675287
Energy: 0.7941003279324019
Energy: 0.8289263609573991
Energy: 0.794920974181775
Energy: 0.7922327902095442
Energy: 0.8294996212127116
Energy: 0.7941335702802351
Energy: 0.7680091629271875
Energy: 0.7499565507131165
Energy: 0.7774265831481233
Energy: 0.7529478611352264
Energy: 0.744813895033131
Energy: 0.7569866232671767
Energy: 0.7607758886576511
Energy: 0.7479323044319093
Energy: 0.7426486525606009
Energy: 0.7338596092164581
Energy: 0.7791456410682908
Energy: 0.735919260170168
Energy: 0.7687166568652924
Energy: 0.7457863742614068
Energy: 0.7429311699908165
Energy: 0.7551548926677148
Energy: 0.7492185186526992
Energy: 0.7434523899183098
Energy: 0.8526157771774929
Energy: 0.8032507460143244
Energy: 0.7898137477508886
Energy: 0.8053378036214
Energy: 0.7897200722544168
Energy: 0.8021543047155948
Energy: 0.852488527340182
Energy: 0.8022893605307349
Energy: 0.8040872968707224
Energy: 0.7903331295877349
Energy: 0.7883989369128941
Energy: 0.803686694352609
Energy: 0.8527151185206574
Energy: 0.7884535830097491
Energy: 0.7880685333024032
Energy: 0.7886367393918238
Energy: 0.7966649116251548
Energy: 0.78761905018099
Energy: 0.891953887032254
Energy: 0.7428224803956521
Energy: 0.747831495125328
Energy: 0.8691914279140727
Energy: 0.7414871842649197
Energy: 0.8624934668323833
Energy: 0.9343127390164561
Energy: 0.7893907399568565
Energy: 0.789750768292736
Energy: 0.8553563219486232
Energy: 0.7993081310213066
Energy: 0.7893277336834342
Energy: 0.8778356733335378
Energy: 0.9124553181786754
Energy: 0.8112431205939499
Energy: 0.8018934189051709
Energy: 0.9126521296410379
Energy: 0.8034570159385178

minimum gb energy = 0.7077817002624298 eV
minimum distance =  2.38408744703478 Angstroms
sigma value = 43


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

Energy: 1.3780147478867937
Energy: 0.7727658369489241
Energy: 0.7512268526427318
Energy: 0.7758892190381126
Energy: 0.7895632503239013
Energy: 0.7744399562004363
Energy: 0.737568952885708
Energy: 0.7414390880087263
Energy: 0.7287547632722973
Energy: 0.8038754586096479
Energy: 0.7422922939142153
Energy: 0.7728287011692654
Energy: 0.7897889161982976
Energy: 0.7889251190594369
Energy: 0.7910949011041877
Energy: 0.7778524018022319
Energy: 0.7959096149337678
Energy: 0.8209654519045142
Energy: 0.7520909504305038
Energy: 0.8242772560519697
Energy: 0.7805770644021011
Energy: 0.7475075120765972
Energy: 0.7375140149139079
Energy: 0.7806327465156446
Energy: 0.7508042145419853
Energy: 0.7274570128438458
Energy: 0.7275381651913361
Energy: 0.7270373417612035
Energy: 0.7275312242939904
Energy: 0.7275357148825256
Energy: 0.7511910307835078
Energy: 0.7275172247203552
Energy: 0.7284382533850983
Energy: 0.7263758275951347
Energy: 0.728979903157764
Energy: 0.7277770725790338
Energy: 0.7509707746404998
Energy: 0.7252366355939831
Energy: 0.7260372098938235
Energy: 0.7683541830536582
Energy: 0.7242581238501177
Energy: 0.726469600121049
Energy: 0.7666635056577726
Energy: 0.7983599845464957
Energy: 0.8691519202402308
Energy: 0.7747652797688199
Energy: 0.7996761066724228
Energy: 0.8109005803258166
Energy: 0.7452706932115469
Energy: 0.8229603641597734
Energy: 0.8231002278535122
Energy: 0.743504394011513
Energy: 0.8268498436897677
Energy: 0.7739005602071289
Energy: 0.7455181473560969
Energy: 0.8203267871515146
Energy: 0.8221589586385205
Energy: 0.8082358461437892
Energy: 0.8198613794824058
Energy: 0.7450259096374946
Energy: 0.7618943410958269
Energy: 0.7709253207741056
Energy: 0.8145178066863131
Energy: 0.740526370788936
Energy: 0.7487832825411361
Energy: 0.7436500194065565
Energy: 0.8611502758758913
Energy: 0.822835479865117
Energy: 0.81624754539082
Energy: 0.7249259639778215
Energy: 0.8277600368258454
Energy: 0.8165039301247862
Energy: 0.7521096768003878
Energy: 0.7712664857764518
Energy: 0.8560117124604281
Energy: 0.8126540725486869
Energy: 0.7912004421394943
Energy: 0.840003944814074
Energy: 0.7609667777817217
Energy: 0.7411439369615271
Energy: 0.7416345051985688
Energy: 0.7420765690994502
Energy: 0.7409530441134308
Energy: 0.7384244772167904
Energy: 0.7618346368408695
Energy: 0.7606770574979734
Energy: 0.7519092016350679
Energy: 0.7492762522470469
Energy: 0.7257039161671803
Energy: 0.7510990962894252
Energy: 0.7635077069339132
Energy: 0.7621346562367821
Energy: 0.7604320202076876
Energy: 0.763420027165551
Energy: 0.7264004963370885
Energy: 0.7605322759747483
Energy: 0.7590310369901562
Energy: 0.7766850857001866
Energy: 0.7731016235291401
Energy: 0.7668359711531031
Energy: 0.7480113949076639
Energy: 0.7735044054484271
Energy: 0.7586585082478412
Energy: 0.7728209191079021
Energy: 0.7724069335713905
Energy: 0.7678360348787444
Energy: 0.7707009181248593
Energy: 0.772408219919282
Energy: 0.8535986567179342
Energy: 0.7653554712343748
Energy: 0.765633233819488
Energy: 0.7859539113462825
Energy: 0.8075411224090157
Energy: 0.7334638803187095
Energy: 0.7480731885576035
Energy: 0.7672331940666534
Energy: 0.7668784749776693
Energy: 0.8398085752771682
Energy: 0.7663108853570582
Energy: 0.7942245340861788
Energy: 0.7584887929389461
Energy: 0.7515113835050491
Energy: 0.7504387704951487
Energy: 0.7673264772834232
Energy: 0.7610446059456518
Energy: 0.7767974383537958
Energy: 0.8314042821669523
Energy: 0.8423176664478803
Energy: 0.8481809125560382
Energy: 0.7591981866300456
Energy: 0.8046085632811779
Energy: 0.8123888946705047
Energy: 0.818555960153249
Energy: 0.7807344904562258
Energy: 0.7643691270086964
Energy: 0.7554925832980227
Energy: 0.7793358566738241
Energy: 0.7508949320052966
Energy: 0.8022758975103945
Energy: 0.7807867112432818
Energy: 0.7808345256624963
Energy: 0.7539971004220842
Energy: 0.7802722716775949
Energy: 0.7658166076057498
Energy: 0.8177624343933695
Energy: 0.762031657951488
Energy: 0.7628576112837803
Energy: 0.7780177794324596
Energy: 0.7622314497989632
Energy: 0.7540128341221493
Energy: 0.7953790897252364
Energy: 0.7512280193167602
Energy: 0.7494782001407279
Energy: 0.7424664567137775
Energy: 0.7432334956019101
Energy: 0.742645099810815
Energy: 0.7970894977932753
Energy: 0.7507569547967342
Energy: 0.7504957819235075
Energy: 0.7400243216039245
Energy: 0.7504189244872316
Energy: 0.7420799587631821
Energy: 0.7953410628295662
Energy: 0.7433707808714769
Energy: 0.7397671835966616
Energy: 0.7392848034870723
Energy: 0.7434774421700311
Energy: 0.7400392626440606
Energy: 0.7516218659751274
Energy: 0.8219496916231468
Energy: 0.8218301791214441
Energy: 0.7361420630902801
Energy: 0.7932274018586211
Energy: 0.7772054549121308
Energy: 0.7521119878444346
Energy: 0.747609790932495
Energy: 0.7415185311911887
Energy: 0.7999983994527977
Energy: 0.7418359424630988
Energy: 0.7270095054804513
Energy: 0.7449076175785155
Energy: 0.7985282901526303
Energy: 0.7515703739364046
Energy: 0.7715610098679289
Energy: 0.7981494682569056
Energy: 0.7524213403440124

minimum gb energy = 0.7242581238501177 eV
minimum distance =  2.38132780643135 Angstroms
sigma value = 57


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

Energy: 0.9009391324731475
Energy: 0.7727294128260057
Energy: 0.7739579515687744
Energy: 0.7921133453099882
Energy: 0.8688115541777467
Energy: 0.8827307069805752
Energy: 0.7454869229606749
Energy: 0.7183887262777303
Energy: 0.71544121309608
Energy: 0.7205606079058636
Energy: 0.7167369606709432
Energy: 0.7126097276141813
Energy: 0.7672676001335137
Energy: 0.7061475980054149
Energy: 0.7061371643559444
Energy: 0.7483530507622218
Energy: 0.7177624206212896
Energy: 0.7200537194820842
Energy: 0.765272367021287
Energy: 0.7145552396126827
Energy: 0.716049743475529
Energy: 0.7324251170421586
Energy: 0.7140534732161973
Energy: 0.7160937832917887
Energy: 0.7458420813826901
Energy: 0.7122464418176848
Energy: 0.7125332626195136
Energy: 0.7115263274165505
Energy: 0.7115589839211491
Energy: 0.7127399239657002
Energy: 0.738667219000931
Energy: 0.7106102886361034
Energy: 0.7108009056220221
Energy: 0.7127887883255217
Energy: 0.7109814501330148
Energy: 0.7108449384300417
Energy: 0.776602529801468
Energy: 0.7159129787263455
Energy: 0.7158663713844204
Energy: 0.7170497322360329
Energy: 0.7312295741807984
Energy: 0.7153736200649491
Energy: 0.7641975327277379
Energy: 0.7891597073356809
Energy: 0.7908438627555326
Energy: 0.7181704447594689
Energy: 0.7481730863159132
Energy: 0.7840621203015978
Energy: 0.7770957995312202
Energy: 0.7155380462756109
Energy: 0.7173437411080837
Energy: 0.7202000635246576
Energy: 0.7170904099650265
Energy: 0.7160015686610149
Energy: 0.8473469364860574
Energy: 0.7216461219301985
Energy: 0.723395690034488
Energy: 0.763020453573404
Energy: 0.7206836936457588
Energy: 0.7243457775309875
Energy: 0.7684306046155945
Energy: 0.7188368443923057
Energy: 0.7155448887869185
Energy: 0.7642081362772362
Energy: 0.7226844240594255
Energy: 0.7165119740540201
Energy: 0.7130743356540274
Energy: 0.7164291744748286
Energy: 0.716358899526942
Energy: 0.7133474086341002
Energy: 0.7552573610593113
Energy: 0.7079782580578386
Energy: 0.7131115433721027
Energy: 0.7113624184553147
Energy: 0.7071144057841562
Energy: 0.7086782361367986
Energy: 0.7533215477161201
Energy: 0.7895926416713523
Energy: 0.8300915758845284
Energy: 0.7140265824750686
Energy: 0.7132931610880385
Energy: 0.716626730442857
Energy: 0.7167291878325218
Energy: 0.715639048349493
Energy: 0.7674217380961228
Energy: 0.7172179127305786
Energy: 0.727613531927848
Energy: 0.7468372196437226
Energy: 0.7179132322360359
Energy: 0.7886462774271201
Energy: 0.7658855404320188
Energy: 0.7128949215461928
Energy: 0.7131625518261412
Energy: 0.7383327630774281
Energy: 0.7166804458539641
Energy: 0.7127538679267583
Energy: 0.7456181624740604
Energy: 0.7115001299264284
Energy: 0.7117230752626102
Energy: 0.7152537292104314
Energy: 0.7108266190222071
Energy: 0.7117963084077753
Energy: 0.74614452398589
Energy: 0.714867927332354
Energy: 0.7155779489981118
Energy: 0.7113393291639958
Energy: 0.7113419827840122
Energy: 0.7113397555517212
Energy: 0.7784558152320027
Energy: 0.7135328677695002
Energy: 0.7131334539657169
Energy: 0.7172150728933331
Energy: 0.7133898177883861
Energy: 0.7130510727708633
Energy: 0.7794265150551066
Energy: 0.7127934837692508
Energy: 0.7121322986302968
Energy: 0.7166112429077549
Energy: 0.7537964487016281
Energy: 0.7799992248236971
Energy: 0.7784489642308291
Energy: 0.7109246105949458
Energy: 0.7133153111683631
Energy: 0.7180894238631587
Energy: 0.7173309512799174
Energy: 0.7132033062402529
Energy: 0.8677716720151817
Energy: 0.7271049932332633
Energy: 0.7224741190063321
Energy: 0.8680580550439726
Energy: 0.7243525252863973
Energy: 0.7228929129744621
Energy: 0.8307071243196179
Energy: 0.7221950469675604
Energy: 0.716293596241776
Energy: 0.7185201051381304
Energy: 0.7705417069472604
Energy: 0.7132255579835757
Energy: 0.7133613992356981
Energy: 0.7101516670683801
Energy: 0.7069148148502641
Energy: 0.7091939065048004
Energy: 0.7534377890683334
Energy: 0.7897143412622389

minimum gb energy = 0.7061371643559444 eV
minimum distance =  2.37402659996968 Angstroms
sigma value = 17


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

Energy: 0.6884187941992639
Energy: 0.8393694209487649
Energy: 0.8383330101976991
Energy: 0.7038979853255974
Energy: 0.7540293942352165
Energy: 0.7363052080182815
Energy: 0.7205423035976525
Energy: 0.7787422520430428
Energy: 0.6997545613403598
Energy: 0.7361239996114406
Energy: 0.778122111401859
Energy: 0.7045872311212232
Energy: 0.765046375900998
Energy: 0.6843944203449893
Energy: 0.6841840533190031
Energy: 0.7638661593093021
Energy: 0.6847207160137143
Energy: 0.6854269867940217
Energy: 0.7789231935660185
Energy: 0.6841879152073016
Energy: 0.6843266367809612
Energy: 0.7792098624774249
Energy: 0.6844999715086332
Energy: 0.6990797490951319
Energy: 0.7095219218228006
Energy: 0.6637848219367372
Energy: 0.6634299923616713
Energy: 0.6937605044922182
Energy: 0.6635182318437673
Energy: 0.6630038475745861
Energy: 0.720822851626975
Energy: 0.6663662694016633
Energy: 0.6672070258061535
Energy: 0.6446329533657089
Energy: 0.6672545673793866
Energy: 0.6472751703499297
Energy: 0.7017257804192568
Energy: 0.7022218321754979
Energy: 0.6730037235183538
Energy: 0.6421228659210323
Energy: 0.7052810421888798
Energy: 0.6405591793611256
Energy: 0.6854486480529164
Energy: 0.6416322337900948
Energy: 0.6413763043413551
Energy: 0.6434689021993861
Energy: 0.6424509941278295
Energy: 0.7124015489083536
Energy: 0.7039857670110978
Energy: 0.6406058055063799
Energy: 0.6400176884706646
Energy: 0.7052544525292359
Energy: 0.6434774366822797
Energy: 0.6415267008156167
Energy: 0.7079481321842692
Energy: 0.6665117708115156
Energy: 0.6665640895474219
Energy: 0.6880337631021647
Energy: 0.6659716541910313
Energy: 0.6669133792771633
Energy: 0.6991014654326637
Energy: 0.6625231279374907
Energy: 0.663202979116823
Energy: 0.6628574641887577
Energy: 0.6621854042669497
Energy: 0.6646974036213054
Energy: 0.7084113651748875
Energy: 0.7805958192629728
Energy: 0.7778990159909462
Energy: 0.6647098001721028
Energy: 0.7803531889677067
Energy: 0.7649750456243875
Energy: 0.7116772697837692
Energy: 0.7618795999745058
Energy: 0.7301842861090911
Energy: 0.6655888016536021
Energy: 0.7637878548769267
Energy: 0.730074381740715
Energy: 0.8028428506275594
Energy: 0.7326807438688481
Energy: 0.6940787884561254
Energy: 0.7873496897545823
Energy: 0.7379214821009243
Energy: 0.6944831560204885
Energy: 0.8231162711066932
Energy: 0.7698378929314703
Energy: 0.7507972694839589
Energy: 0.7533940953482383
Energy: 0.7511788635829885
Energy: 0.7511146185200873
Energy: 0.7674423932394754
Energy: 0.7364941773705792
Energy: 0.6988627553290448
Energy: 0.7318784788725738
Energy: 0.7364779408825027
Energy: 0.7322868264500627
Energy: 0.6823557523299183
Energy: 0.7306534319684076
Energy: 0.8123504695177253
Energy: 0.7019504129348124
Energy: 0.7555142153923998
Energy: 0.7874501537109347

minimum gb energy = 0.6400176884706646 eV
minimum distance =  2.3813976694086 Angstroms
sigma value = 17


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

Energy: 0.6426865294058782
Energy: 0.7710410050241194
Energy: 0.6870583630266726
Energy: 0.6579365473316423
Energy: 0.8806084378698212
Energy: 0.65788734617763
Energy: 0.7013775151636182
Energy: 0.6956342362205592
Energy: 0.6254414410432246
Energy: 0.7117418629950603
Energy: 0.7460786342635669
Energy: 0.6620396860168826
Energy: 0.7282807906455981
Energy: 0.6067179778916079
Energy: 0.6475680809498002
Energy: 0.6878505027059073
Energy: 0.6066796738406658
Energy: 0.6555765827276697
Energy: 0.7718033585971877
Energy: 0.648143722837359
Energy: 0.6513266859617246
Energy: 0.7716601807362822
Energy: 0.606707212526348
Energy: 0.6614412083708825
Energy: 0.6794448272247152
Energy: 0.6310380277485522
Energy: 0.6318761767325721
Energy: 0.6648749179248883
Energy: 0.6305522315132855
Energy: 0.6272023637644495
Energy: 0.6209150236488062
Energy: 0.6279724209627595
Energy: 0.6018913802871241
Energy: 0.6038318004397183
Energy: 0.6279901677282858
Energy: 0.6026903652834733
Energy: 0.629174269444667
Energy: 0.6709339881735172
Energy: 0.6306761326799898
Energy: 0.5959898874727045
Energy: 0.6741223791857193
Energy: 0.5965080446486074
Energy: 0.6295927690520273
Energy: 0.5938116887594438
Energy: 0.5929457824472482
Energy: 0.6013635532836644
Energy: 0.5867680514459162
Energy: 0.5926476026484668
Energy: 0.6307587498568842
Energy: 0.591243469827784
Energy: 0.5957912540757626
Energy: 0.6317942144761121
Energy: 0.5883056442274774
Energy: 0.6152707981601229
Energy: 0.6292995497113941
Energy: 0.586808118782293
Energy: 0.5875647119619609
Energy: 0.6300469852083798
Energy: 0.5868469599564442
Energy: 0.5872061917885683
Energy: 0.6422009084574007
Energy: 0.5878196923046891
Energy: 0.5877400663864698
Energy: 0.5898141512534227
Energy: 0.6266986249649494
Energy: 0.587913644172728
Energy: 0.6326593016875717
Energy: 0.6293769273972523
Energy: 0.6189494988059752
Energy: 0.6112072872916063
Energy: 0.6342127397259848
Energy: 0.5964906851922291
Energy: 0.6405228774854463
Energy: 0.5968220156463107
Energy: 0.5965420055215971
Energy: 0.5921588495280127
Energy: 0.5960495842334953
Energy: 0.5936534766688475
Energy: 0.6719052231744755
Energy: 0.6083194161868647
Energy: 0.5964894191928936
Energy: 0.6721467580299538
Energy: 0.5958931419800224
Energy: 0.5968251043046245
Energy: 0.6707613521941307
Energy: 0.5990132412302277
Energy: 0.6005784730963457
Energy: 0.628483677863833
Energy: 0.6015189379363454
Energy: 0.6239329707102432
Energy: 0.6709102339198512
Energy: 0.6242889723162498
Energy: 0.6260522431207046
Energy: 0.6280933812598561
Energy: 0.6651731514828859
Energy: 0.6313952558426139
Energy: 0.6302656120556644
Energy: 0.688065286918869
Energy: 0.6882292801142544
Energy: 0.6113253730653915
Energy: 0.7746363754113018
Energy: 0.6316527619815887
Energy: 0.6816579568558887
Energy: 0.6889626198452418
Energy: 0.6819718948016822
Energy: 0.6122877546129116
Energy: 0.6991964401428195
Energy: 0.6314458278460543
Energy: 0.7779663435169263
Energy: 0.6829383429643391
Energy: 0.6635321674407377
Energy: 0.6954425909373937
Energy: 0.6456794356011114
Energy: 0.6323413986954409
Energy: 0.7420574905507347
Energy: 0.639230516590152
Energy: 0.6407452688401605
Energy: 0.6968790761659874
Energy: 0.640401991343731
Energy: 0.7023385312295881
Energy: 0.732653680484858
Energy: 0.6830062769763433
Energy: 0.6617548976459637
Energy: 0.693338559001047
Energy: 0.6876093289850399
Energy: 0.6834123717840673
Energy: 0.6387853639194485
Energy: 0.7049947837750015
Energy: 0.714810924485239
Energy: 0.6574296110276948
Energy: 0.7030451574541002
Energy: 0.6571662644517537
Energy: 0.6414765327251825
Energy: 0.6911561214416971
Energy: 0.6843237481265259
Energy: 0.6082797027143249
Energy: 0.7488562121206833
Energy: 0.7160519571849692
Energy: 0.9222138711071077
Energy: 0.6516338294385481
Energy: 0.6848238897931579
Energy: 0.6964865337504462
Energy: 0.6045796117525238
Energy: 0.686225543501644
Energy: 0.7657462289114044
Energy: 0.6069562919189281
Energy: 0.6479974164461507
Energy: 0.7680018435122529
Energy: 0.6074088317976724
Energy: 0.655579175477954
Energy: 0.6814112466867537
Energy: 0.6312926997974039
Energy: 0.624085306877791
Energy: 0.6677923028524277
Energy: 0.6309024824126879
Energy: 0.6314287099726478
Energy: 0.6200646659904522
Energy: 0.6287961652906076
Energy: 0.6281139992956464
Energy: 0.6017748735737218
Energy: 0.6375837463717543
Energy: 0.6041031479955423
Energy: 0.6698074031771724
Energy: 0.6710354267727041
Energy: 0.6498776938280604
Energy: 0.670017760253522
Energy: 0.673136629229817
Energy: 0.6571398002727888
Energy: 0.6308530191149841
Energy: 0.5911061693985471
Energy: 0.5945742691670314
Energy: 0.5948461074254118
Energy: 0.5911859476057111
Energy: 0.5958569320860108
Energy: 0.6293254359914764
Energy: 0.5865654272588947
Energy: 0.593797705480524
Energy: 0.6294255419738348
Energy: 0.5864174922478262
Energy: 0.5929350298205024
Energy: 0.6341562968335989
Energy: 0.5861756186648974
Energy: 0.5856042740199204
Energy: 0.635306784497916
Energy: 0.5843427219511297
Energy: 0.5855782457600827
Energy: 0.6392889985868836
Energy: 0.5863254649718094
Energy: 0.5862248256968167
Energy: 0.5869982552616914
Energy: 0.584528897172342
Energy: 0.5857644356865224
Energy: 0.6382808856916459
Energy: 0.6348693635336046
Energy: 0.6295737293768516
Energy: 0.6252780293576352
Energy: 0.6309323278339021
Energy: 0.6310163217148423
Energy: 0.6308977866144446
Energy: 0.5930846805294895
Energy: 0.5917060517232472
Energy: 0.5915485179109823
Energy: 0.5995357073383396
Energy: 0.5928131389049162
Energy: 0.6767887332199826
Energy: 0.5938361994819338
Energy: 0.5927847880955873
Energy: 0.6704957122559201
Energy: 0.595215566094547
Energy: 0.592546937723508
Energy: 0.6783230568873772
Energy: 0.5960780805154068
Energy: 0.6245371398809381
Energy: 0.6708853990232664
Energy: 0.5951985238219439
Energy: 0.6232223561560657
Energy: 0.6709467141392658
Energy: 0.6241582219871685
Energy: 0.6240474212347512
Energy: 0.6342783317169749
Energy: 0.6075053008452601
Energy: 0.6245449120651286
Energy: 0.6354076533308748
Energy: 0.7201664113868312
Energy: 0.6954620376288656
Energy: 0.6285560604503941
Energy: 0.7702500381957457
Energy: 0.6942853985088469
Energy: 0.6302174371938319
Energy: 0.7054063654817934
Energy: 0.6384201348105516
Energy: 0.6281717540526524
Energy: 0.7045534795411206
Energy: 0.6384192674197977
Energy: 0.6703783837012051
Energy: 0.6934700682045875
Energy: 0.6845033014638688
Energy: 0.6400391745908598
Energy: 0.6930373904722323
Energy: 0.6643056936979388
Energy: 0.8565798823669345
Energy: 0.6347294602546429
Energy: 0.6870360701670424
Energy: 0.75057692343828
Energy: 0.6345802911908794
Energy: 0.6867666411731338
Energy: 0.9206371653748116
Energy: 0.6921200635775424
Energy: 0.6987116377922654
Energy: 0.6966635661600705
Energy: 0.6660986629087652
Energy: 0.6854321878265031
Energy: 0.6426261172852021
Energy: 0.68877072831617
Energy: 0.6855430622897664
Energy: 0.608677180466191
Energy: 0.6976823251129372
Energy: 0.7402492559260193

minimum gb energy = 0.5843427219511297 eV
minimum distance =  2.37625080228041 Angstroms
sigma value = 57


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

Energy: 0.5812874968276124
Energy: 0.7072071674699222
Energy: 0.6502385156678092
Energy: 0.5842965989240616
Energy: 0.848632769791875
Energy: 0.6433489106526131
Energy: 0.687076536235498
Energy: 0.5923185865749371
Energy: 0.5941506912236609
Energy: 0.6449375162495898
Energy: 0.6446873998613963
Energy: 0.6214998834520846
Energy: 0.8650170959651259
Energy: 0.5694929802002476
Energy: 0.5696801712559114
Energy: 0.6550137788626971
Energy: 0.5693421156648795
Energy: 0.615545185478528
Energy: 0.7375690254460576
Energy: 0.5692494106732561
Energy: 0.614674504021115
Energy: 0.737572584159014
Energy: 0.5690035072663508
Energy: 0.6211342855861661
Energy: 0.6359071039845362
Energy: 0.6010472814699586
Energy: 0.5944194769953691
Energy: 0.6360662110961848
Energy: 0.6011344077996625
Energy: 0.5977746753598246
Energy: 0.5687317491555514
Energy: 0.5918264760557854
Energy: 0.5683891441719975
Energy: 0.5473752070888562
Energy: 0.617853272769917
Energy: 0.568761173172052
Energy: 0.5944899825554363
Energy: 0.6495435894010194
Energy: 0.614004029177483
Energy: 0.573172604196778
Energy: 0.6483175181746291
Energy: 0.5590408271575056
Energy: 0.6005641665835547
Energy: 0.5452215783187531
Energy: 0.5530786117711578
Energy: 0.5573574769413725
Energy: 0.5453522022212406
Energy: 0.5568762821454816
Energy: 0.598009789852764
Energy: 0.5575706554100107
Energy: 0.5597092170466547
Energy: 0.5992763158625852
Energy: 0.5444076106926952
Energy: 0.5773858068345993
Energy: 0.5947049479154511
Energy: 0.5431158257704365
Energy: 0.542824443686971
Energy: 0.595028461408187
Energy: 0.5671996400878514
Energy: 0.5434464872789757
Energy: 0.5790247553198585
Energy: 0.5487203899720262
Energy: 0.5490734913327778
Energy: 0.5456338251240237
Energy: 0.5735389755443903
Energy: 0.5498824540387449
Energy: 0.5834364532829989
Energy: 0.5808560368868698
Energy: 0.5606582723178208
Energy: 0.5419252563719951
Energy: 0.5778799714367597
Energy: 0.5404427913251995
Energy: 0.5732252567249274
Energy: 0.5662131278610922
Energy: 0.5402593642988999
Energy: 0.5403226700605608
Energy: 0.5913601942395901
Energy: 0.5404046346941518
Energy: 0.5743991503694432
Energy: 0.545725205594054
Energy: 0.5799343722219427
Energy: 0.5759439713689047
Energy: 0.6103625596270421
Energy: 0.5744933969445161
Energy: 0.5731982696112679
Energy: 0.5470519037796224
Energy: 0.5466831507287548
Energy: 0.542682272641754
Energy: 0.5494202562276846
Energy: 0.5463985207276536
Energy: 0.6067688809607507
Energy: 0.5709597178121228
Energy: 0.5428863014198384
Energy: 0.5422922063393305
Energy: 0.6040360962037625
Energy: 0.5413619237003479
Energy: 0.5754497280933515
Energy: 0.6050609556297614
Energy: 0.5625560063393672
Energy: 0.5420513464882799
Energy: 0.6018134357233359
Energy: 0.563281965872459
Energy: 0.5766366366705663
Energy: 0.561295224664046
Energy: 0.5616008869145965
Energy: 0.6060372653497111
Energy: 0.5614288759356078
Energy: 0.5633203381630237
Energy: 0.6436931198813759
Energy: 0.5721261457546452
Energy: 0.5591191835381769
Energy: 0.6452841789860814
Energy: 0.5568881476445052
Energy: 0.6182071197808641
Energy: 0.6435135205376473
Energy: 0.565239710820972
Energy: 0.564903541486387
Energy: 0.5931585821626623
Energy: 0.5610364026782587
Energy: 0.5931012094487426
Energy: 0.8052832575250445
Energy: 0.621625823082848
Energy: 0.5954070395432981
Energy: 0.5961026144078188
Energy: 0.6264657519042133
Energy: 0.593542059383492
Energy: 0.5744464003639372
Energy: 0.6399259870245481
Energy: 0.5927145097806801
Energy: 0.5591351059094255
Energy: 0.6814464564369133
Energy: 0.5939040688317865
Energy: 0.5989396365035284
Energy: 0.6497570969912282
Energy: 0.6429611181795053
Energy: 0.5830693633340118
Energy: 0.6474590212993695
Energy: 0.6377907676361748
Energy: 0.8057548827800793
Energy: 0.6252724022370274
Energy: 0.5896418676487445
Energy: 0.6462534930044703
Energy: 0.6339298624341578
Energy: 0.5956813903288143
Energy: 0.8680481646999195
Energy: 0.5936517463719582
Energy: 0.5995151159816859
Energy: 0.6592213129118318
Energy: 0.5951036434356318
Energy: 0.639590406731959
Energy: 0.8209535712230062
Energy: 0.643638010877743
Energy: 0.6464190793425993
Energy: 0.6439702350672578
Energy: 0.6421438386372803
Energy: 0.6229179525609012
Energy: 0.5793495840129685
Energy: 0.6549587664360711
Energy: 0.627948617504615
Energy: 0.5720122951747152
Energy: 0.6526674381573327
Energy: 0.6173279135744003

minimum gb energy = 0.5402593642988999 eV
minimum distance =  2.39333129100533 Angstroms
sigma value = 43


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

Energy: 0.4944060620736968
Energy: 0.6089879792154644
Energy: 0.5706626021510818
Energy: 0.5022442974001653
Energy: 0.553604702889556
Energy: 0.538392580013418
Energy: 0.6993519415367717
Energy: 0.5083954824329782
Energy: 0.5015926527197495
Energy: 0.5303379065220801
Energy: 0.5080803336429331
Energy: 0.4979846096067879
Energy: 0.7341232610279811
Energy: 0.47928978313315396
Energy: 0.4938536073479424
Energy: 0.5335753442955785
Energy: 0.4781145236993524
Energy: 0.497151103197482
Energy: 0.6339508940262251
Energy: 0.4928785037204806
Energy: 0.4952292547910323
Energy: 0.5383348767179289
Energy: 0.47876256242304194
Energy: 0.5197983267696212
Energy: 0.564519452767922
Energy: 0.501520613530011
Energy: 0.501865100956396
Energy: 0.5062982311572495
Energy: 0.5299770983243347
Energy: 0.502124656876462
Energy: 0.4800329835530901
Energy: 0.50129214144045
Energy: 0.48611704149494145
Energy: 0.4979456432687424
Energy: 0.5306776070019434
Energy: 0.4743820512434966
Energy: 0.6352954637804699
Energy: 0.5635906220370556
Energy: 0.5294463954102759
Energy: 0.4745073483920844
Energy: 0.5639508352202633
Energy: 0.4723431208504832
Energy: 0.6674313413884319
Energy: 0.459054922417134
Energy: 0.46615898609142076
Energy: 0.47416628963152263
Energy: 0.458411699785525
Energy: 0.4661706240382452
Energy: 0.5247111766496786
Energy: 0.4674258212316665
Energy: 0.47550714891099777
Energy: 0.5262018661847621
Energy: 0.510022253230139
Energy: 0.4984688955010967
Energy: 0.5423174754058109
Energy: 0.4592641875762373
Energy: 0.45901486652359974
Energy: 0.5227960071449609
Energy: 0.45965674518325844
Energy: 0.4586255472540698
Energy: 0.47569056462725967
Energy: 0.5016690909036703
Energy: 0.4581120297378379
Energy: 0.4553604377611577
Energy: 0.49816897768219776
Energy: 0.45480887928577185
Energy: 0.5231654226151125
Energy: 0.49841599051980395
Energy: 0.49962333882929616
Energy: 0.45736038716748556
Energy: 0.4986405413071692
Energy: 0.45725851914865806
Energy: 0.5263962607377014
Energy: 0.4795219380384393
Energy: 0.48458515677819364
Energy: 0.4824343889966104
Energy: 0.47760124560162465
Energy: 0.4841178081090377
Energy: 0.48417278476623116
Energy: 0.49347534529722326
Energy: 0.48954031731659564
Energy: 0.4855917750771275
Energy: 0.5208742828351173
Energy: 0.4867540909976779
Energy: 0.48424958830230336
Energy: 0.44925401707959994
Energy: 0.4487992093673805
Energy: 0.4847062146277354
Energy: 0.4489146118573465
Energy: 0.44770585869999197
Energy: 0.47873473343278816
Energy: 0.4779706844504595
Energy: 0.44977784241875607
Energy: 0.462121970670785
Energy: 0.47730520063008486
Energy: 0.4509732563038615
Energy: 0.48683484375921715
Energy: 0.47760020681544485
Energy: 0.47218809336908796
Energy: 0.4623226135184054
Energy: 0.47740414789024926
Energy: 0.4505105957927884
Energy: 0.4780856546804395
Energy: 0.45029636238920373
Energy: 0.4506117110694749
Energy: 0.47075377560520976
Energy: 0.4740464137994939
Energy: 0.45036277435995054
Energy: 0.4779754727114947
Energy: 0.48785335393721774
Energy: 0.48822355418788915
Energy: 0.47846155035204235
Energy: 0.5566681403404392
Energy: 0.4777014873244642
Energy: 0.4777091694462308
Energy: 0.4663391491457914
Energy: 0.45440016937226224
Energy: 0.46216672606283676
Energy: 0.47496101635681626
Energy: 0.454239411077044
Energy: 0.5007604949191647
Energy: 0.4841622983821226
Energy: 0.45437602009754435
Energy: 0.47569258729068675
Energy: 0.484147363665951
Energy: 0.4545893728368808
Energy: 0.47872134623173274
Energy: 0.4847346262060898
Energy: 0.4734916396915269
Energy: 0.4501139304582658
Energy: 0.4842679325745192
Energy: 0.44959325178587023
Energy: 0.4986594446671747
Energy: 0.45285224418635217
Energy: 0.45249800915575866
Energy: 0.4987230838263578
Energy: 0.4519986631499405
Energy: 0.45227105420832253
Energy: 0.49848776834395625
Energy: 0.5066434474141439
Energy: 0.5017498983632717
Energy: 0.499950564465694
Energy: 0.4704383871331268
Energy: 0.5020874374960755
Energy: 0.5650357238449402
Energy: 0.4703743358786941
Energy: 0.4765151474651681
Energy: 0.4779084096366285
Energy: 0.46956257272628293
Energy: 0.47724960852645154
Energy: 0.5671440776522307
Energy: 0.5230041467995601
Energy: 0.5225148488769052
Energy: 0.4607088485682974
Energy: 0.5231713021713931
Energy: 0.4595600078949575
Energy: 0.4781077632066854
Energy: 0.4997208106968653
Energy: 0.47351484791142806
Energy: 0.45993954890736666
Energy: 0.5227183045042246
Energy: 0.4630077139125623
Energy: 0.5225539496293328
Energy: 0.47806501123346634
Energy: 0.4748482915471951
Energy: 0.5395624941879876
Energy: 0.5025125173550417
Energy: 0.47456239494458013
Energy: 0.5652916859733448
Energy: 0.4811983645351543
Energy: 0.5015616692792955
Energy: 0.5665384917476529
Energy: 0.46499802282210306
Energy: 0.5036776779344255
Energy: 0.6889722344049378
Energy: 0.46867079221834923
Energy: 0.47923550185746017
Energy: 0.5001392080391226
Energy: 0.4681245179728759
Energy: 0.47921686283057585
Energy: 0.6885665964905655
Energy: 0.5379072549082917
Energy: 0.5002325224657466
Energy: 0.505182755592946
Energy: 0.5400857486698281
Energy: 0.4999757295515326
Energy: 0.4864947603383105
Energy: 0.5298449930095058
Energy: 0.5107139932450699
Energy: 0.49218396415408805
Energy: 0.5299500798737374
Energy: 0.48919307082980124
Energy: 0.579815158378911
Energy: 0.5313601558374436
Energy: 0.5316798156515348
Energy: 0.5361451117067155
Energy: 0.5399935726552513
Energy: 0.5317849997187643
Energy: 0.6897354515807008
Energy: 0.5204022421453225
Energy: 0.521642546765176
Energy: 0.5384408919898117
Energy: 0.49541807547878114
Energy: 0.5459325935163677
Energy: 0.7336407459608061
Energy: 0.495864487845037
Energy: 0.5208400944334561
Energy: 0.5355198858917425
Energy: 0.4955903507766373
Energy: 0.5214485529382551
Energy: 0.6993519378067393
Energy: 0.5401504287305103
Energy: 0.5317755414092503
Energy: 0.5351992885218045
Energy: 0.5386168226146602
Energy: 0.5315516719317089

minimum gb energy = 0.44770585869999197 eV
minimum distance =  2.40864070235728 Angstroms
sigma value = 81


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

Energy: 0.03579778677073276
Energy: 0.06657812338155471
Energy: 0.03662432895626615
Energy: 0.037995253998974576
Energy: 0.0374580445485422
Energy: 0.036544756588143046
Energy: 0.06649952107543784
Energy: 0.036721161691485746
Energy: 0.03655233791529611
Energy: 0.06685426791828206
Energy: 0.04005994415110459
Energy: 0.03666718086480539
Energy: 0.06561580188061195
Energy: 0.03652996840881703
Energy: 0.03640683863089264
Energy: 0.06561567724509884
Energy: 0.036507150851772086
Energy: 0.06644649440540197
Energy: 0.03913189030988851
Energy: 0.03652082361613944
Energy: 0.03640944857545875
Energy: 0.040489981974812975
Energy: 0.03637117471057154
Energy: 0.06637068052978505
Energy: 0.06621763609491525
Energy: 0.06584236454139153
Energy: 0.06769569449875756
Energy: 0.06685152105219573
Energy: 0.06604938756587629
Energy: 0.06726469482974842
Energy: 0.03715684119415692
Energy: 0.03664952611169106
Energy: 0.03648242304129252
Energy: 0.03817875937230055
Energy: 0.0366391329963127
Energy: 0.03655086278372962
Energy: 0.06669295503337937
Energy: 0.03664099864258161
Energy: 0.03644334926302858
Energy: 0.06584240399338966
Energy: 0.041392129845068903
Energy: 0.03658039116200362
Energy: 0.0673315104946837
Energy: 0.036300196635595625
Energy: 0.03624751450722996
Energy: 0.06563093729598794
Energy: 0.03626261097035916
Energy: 0.06707685550996233
Energy: 0.03717788591449128
Energy: 0.03637593351048528
Energy: 0.06737940062317248
Energy: 0.038705661302768216
Energy: 0.03668336302228445
Energy: 0.06745720984159127
Energy: 0.03653134847926333
Energy: 0.06582756188276045
Energy: 0.0658541354597876
Energy: 0.03665590493884903
Energy: 0.06582817328380067
Energy: 0.0657892734037112

minimum gb energy = 0.03579778677073276 eV
minimum distance =  2.54812660419149 Angstroms
sigma value = 3


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

Energy: 0.5785367061257716
Energy: 0.6045405469786167
Energy: 0.5731972077233721
Energy: 0.5294446384953215
Energy: 0.6053229803680721
Energy: 0.5352946339034167
Energy: 0.5752324623619053
Energy: 0.5781679988634054
Energy: 0.5761106458073083
Energy: 0.5792200549129397
Energy: 0.5798968492420992
Energy: 0.5758120665753677
Energy: 0.6023178814034208
Energy: 0.5347983005454175
Energy: 0.5340575683322527
Energy: 0.5821678184317416
Energy: 0.5306643104817051
Energy: 0.5634094898981155
Energy: 0.5600682443965306
Energy: 0.5343406876335532
Energy: 0.5340934869796315
Energy: 0.5599904601781331
Energy: 0.5298253426974517
Energy: 0.5635097876033223
Energy: 0.5076731468950982
Energy: 0.5792148864090463
Energy: 0.5767886177845012
Energy: 0.5077157015867225
Energy: 0.5818613430466267
Energy: 0.5762930716375944
Energy: 0.4715097915006433
Energy: 0.5774466599063741
Energy: 0.5504516303693652
Energy: 0.47245112308433673
Energy: 0.5778543657553051
Energy: 0.5164687963573293
Energy: 0.5588286477895624
Energy: 0.5188375895801814
Energy: 0.5210996782039986
Energy: 0.5581806127884186
Energy: 0.5217781387268984
Energy: 0.558488893792489
Energy: 0.5592525471631703
Energy: 0.48053428853365854
Energy: 0.527475609000488
Energy: 0.5591610279551457
Energy: 0.4532681633953038
Energy: 0.5281434224358914
Energy: 0.5737190838949238
Energy: 0.525484842661153
Energy: 0.5584969410191277
Energy: 0.5684343546434096
Energy: 0.47806714986213905
Energy: 0.5601336195408358
Energy: 0.5249947527259748
Energy: 0.5185662989462858
Energy: 0.5182093361061932
Energy: 0.5247936852992532
Energy: 0.5204591506187011
Energy: 0.5265512971762788
Energy: 0.5004015048665358
Energy: 0.5180414135074255
Energy: 0.5386658300491965
Energy: 0.46492136406622603
Energy: 0.5489462333096274
Energy: 0.5115991306096392
Energy: 0.48536600287809906
Energy: 0.5422832940200709
Energy: 0.5162505662838088
Energy: 0.48476803324409595
Energy: 0.5265090856806862
Energy: 0.4842761038460966
Energy: 0.4866551611628262
Energy: 0.4526606344460971
Energy: 0.5187248019216987
Energy: 0.48651967569292087
Energy: 0.45098914405330404
Energy: 0.519732049254495
Energy: 0.5415530419616523
Energy: 0.5090434013248806
Energy: 0.5117815810170587
Energy: 0.48782143923944005
Energy: 0.4637340656484564
Energy: 0.519193797879332
Energy: 0.5420759293825153
Energy: 0.4646431823641872
Energy: 0.46410159281664015
Energy: 0.5391442554609429
Energy: 0.47035923750873815
Energy: 0.464673581204314
Energy: 0.5389049278315164
Energy: 0.5103754626162134
Energy: 0.5100005201325318
Energy: 0.4558754524258795
Energy: 0.5240500858986823
Energy: 0.5104724990738337
Energy: 0.45775061420226226
Energy: 0.5106919151906704
Energy: 0.5088835279385615
Energy: 0.4534232096394169
Energy: 0.46730383418799726
Energy: 0.45298444088731177
Energy: 0.4539700682127552
Energy: 0.45619206829601244
Energy: 0.5044568240867554
Energy: 0.45384406305172226
Energy: 0.45555723067223536
Energy: 0.5043790886374715
Energy: 0.534391426125501
Energy: 0.4876816541412705
Energy: 0.5005333223427959
Energy: 0.45545324552620525
Energy: 0.4914291453322166
Energy: 0.5046674707692862
Energy: 0.5369119928823728
Energy: 0.45304856523070974
Energy: 0.45280481249915133
Energy: 0.5361434570816505
Energy: 0.45776413074890937
Energy: 0.4535126593440221
Energy: 0.5361446357913211
Energy: 0.5070955110622158
Energy: 0.5104515790627717
Energy: 0.467291313522403
Energy: 0.5076997809330591
Energy: 0.5090600173377366
Energy: 0.4700809523560644
Energy: 0.5131696009865611
Energy: 0.50919182332104
Energy: 0.47096002996651226
Energy: 0.5068292211061455
Energy: 0.4653386603565944
Energy: 0.4631137290916101
Energy: 0.48787370810784403
Energy: 0.48877251966188723
Energy: 0.46316797554597494
Energy: 0.48824686620957003
Energy: 0.4876188092536679
Energy: 0.5412616641214257
Energy: 0.49177336072844885
Energy: 0.5186321236519708
Energy: 0.4570785502111619
Energy: 0.49177755435308074
Energy: 0.5086377430630797
Energy: 0.5043341126529388
Energy: 0.48502274920953875
Energy: 0.4846080790428923
Energy: 0.5534674769072795
Energy: 0.48895612619285955
Energy: 0.4849121452726397
Energy: 0.5550536356700199
Energy: 0.4960100892153243
Energy: 0.5214299661836315
Energy: 0.5257044905303717
Energy: 0.45088375142756104
Energy: 0.5384071205876351
Energy: 0.5224796464117631
Energy: 0.495788980791304
Energy: 0.4941577070270737
Energy: 0.5210715716248041
Energy: 0.5495611072067406
Energy: 0.5264114355087516
Energy: 0.4948651887102758
Energy: 0.5655854562133161
Energy: 0.5655874740183142
Energy: 0.49489091840098703
Energy: 0.5662747855765656
Energy: 0.5644564801881942
Energy: 0.46305462796753777
Energy: 0.5581215586605858
Energy: 0.5463939692641708
Energy: 0.4649326785028487
Energy: 0.5587910786958645
Energy: 0.5129085301934648
Energy: 0.5177043378468885
Energy: 0.5576166446431086
Energy: 0.5578327045495686
Energy: 0.5176534531776728
Energy: 0.561482178149809
Energy: 0.5597392242017429
Energy: 0.5816997595414979
Energy: 0.4874621628792846
Energy: 0.5319884564666314
Energy: 0.5806119212835142
Energy: 0.4556405448578167
Energy: 0.5328498019359562
Energy: 0.6068587326679283
Energy: 0.529355797020063
Energy: 0.5662482108684203
Energy: 0.5811390623443891
Energy: 0.48660348376895457
Energy: 0.5763770915731831
Energy: 0.5197432257186118
Energy: 0.5594303248594051
Energy: 0.5570154058120281
Energy: 0.5198051372929922
Energy: 0.5585924252183985
Energy: 0.5510559323249393

minimum gb energy = 0.45088375142756104 eV
minimum distance =  2.31834968247696 Angstroms
sigma value = 67


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

Energy: 0.7132097806849248
Energy: 0.704047735957631
Energy: 0.6920052000938823
Energy: 0.5908040466327888
Energy: 0.7015997388968718
Energy: 0.6936648039484895
Energy: 0.6930376392672517
Energy: 0.6935635602240557
Energy: 0.6957968309176757
Energy: 0.6901120016137766
Energy: 0.6925108034559244
Energy: 0.6881183410806144
Energy: 0.7178095694398638
Energy: 0.6186020139856196
Energy: 0.6782828957399709
Energy: 0.6884010639604939
Energy: 0.6090840532790114
Energy: 0.677114148808314
Energy: 0.6667455398434926
Energy: 0.6663631826286421
Energy: 0.6782766862741476
Energy: 0.6685721531160832
Energy: 0.664095221024663
Energy: 0.6782412959998315
Energy: 0.6592208367185796
Energy: 0.6920771930714799
Energy: 0.6937494714401098
Energy: 0.6574030400932048
Energy: 0.6914452424463726
Energy: 0.6894596438463819
Energy: 0.6684129042853085
Energy: 0.6826598090863752
Energy: 0.6610144103372911
Energy: 0.6117741986248524
Energy: 0.683798803734063
Energy: 0.6611016472077503
Energy: 0.6657487967742138
Energy: 0.6619487877729141
Energy: 0.663318729183894
Energy: 0.6586117768278564
Energy: 0.6671484912691107
Energy: 0.6586084889558202
Energy: 0.6634785420689361
Energy: 0.5843614989535705
Energy: 0.5778928984921557
Energy: 0.6634975405685047
Energy: 0.5808732701458792
Energy: 0.6665846083100804
Energy: 0.6742958693110643
Energy: 0.6680588175491208
Energy: 0.6718800926621967
Energy: 0.6679038265482815
Energy: 0.6107109932526669
Energy: 0.6704436049421612
Energy: 0.675936582886162
Energy: 0.6154120817577368
Energy: 0.6118707263973086
Energy: 0.6766627439790162
Energy: 0.6137823374612974
Energy: 0.6239705972604969
Energy: 0.6730053290897023
Energy: 0.622492065954862
Energy: 0.6152763898890201
Energy: 0.5809688686994051
Energy: 0.6614463666215091
Energy: 0.6219913011261141
Energy: 0.5853710526263562
Energy: 0.6217791867612555
Energy: 0.6420069785064465
Energy: 0.5803854742251123
Energy: 0.6127064510177409
Energy: 0.5801479957236039
Energy: 0.580017743261241
Energy: 0.5862726215412014
Energy: 0.5798221760416948
Energy: 0.5798561949713825
Energy: 0.582775599170361
Energy: 0.5818099991038024
Energy: 0.6583923729965223
Energy: 0.6379460470864567
Energy: 0.6376902518500489
Energy: 0.5810878895966253
Energy: 0.6242715310132972
Energy: 0.5797616249964563
Energy: 0.6604592622961538
Energy: 0.5841512801130075
Energy: 0.579654068629014
Energy: 0.659683604303884
Energy: 0.581743012745566
Energy: 0.5799214996691011
Energy: 0.660164292042294
Energy: 0.620180557782738
Energy: 0.6475304387437365
Energy: 0.6123315898220807
Energy: 0.5959170414120885
Energy: 0.6441549814208
Energy: 0.6159861750575579
Energy: 0.5772954125038744
Energy: 0.6357006428076255
Energy: 0.6149180058745201
Energy: 0.5738060774162463
Energy: 0.6222480122135076
Energy: 0.6095613229851593
Energy: 0.6671144089490123
Energy: 0.6695616655562547
Energy: 0.6105773926783662
Energy: 0.6709395662508179
Energy: 0.6102332060349559
Energy: 0.6586943731539141
Energy: 0.6665632790149085
Energy: 0.6393123109216725
Energy: 0.5895084717507151
Energy: 0.672425254276133
Energy: 0.6506997781458065
Energy: 0.6613834392077362
Energy: 0.6606991057518881
Energy: 0.6615295263301194
Energy: 0.6606184906908042
Energy: 0.6572737200300873
Energy: 0.6728307076289328
Energy: 0.6937401939410455
Energy: 0.6352669466570323
Energy: 0.6783760792709445
Energy: 0.6591538191235718
Energy: 0.5875234535804116
Energy: 0.6784012954859104
Energy: 0.7222857019609356
Energy: 0.5926520848444169
Energy: 0.6789487763619518
Energy: 0.683136521552849
Energy: 0.5887225425403149
Energy: 0.6776047874301449
Energy: 0.6840443143318966
Energy: 0.6618807981097886
Energy: 0.6564494902824363
Energy: 0.6802649157633517
Energy: 0.657461686009696
Energy: 0.6922171112243962

minimum gb energy = 0.5738060774162463 eV
minimum distance =  2.34358069044617 Angstroms
sigma value = 33


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

Energy: 0.8333134365767076
Energy: 0.8218356147348641
Energy: 0.8236868605193476
Energy: 0.6909594470991934
Energy: 0.8302251385540933
Energy: 0.7689590249134008
Energy: 0.7735154919600012
Energy: 0.7933335100593033
Energy: 0.7954819210508686
Energy: 0.7948769928077464
Energy: 0.7821328525004778
Energy: 0.7781054812598812
Energy: 0.8336079350724462
Energy: 0.7231818240701331
Energy: 0.7362996107922372
Energy: 0.7885179951449331
Energy: 0.7199356524993245
Energy: 0.7549631929992504
Energy: 0.7892876171827454
Energy: 0.722791037791751
Energy: 0.7200127072787789
Energy: 0.7891680501295449
Energy: 0.7217068926231587
Energy: 0.7555192780534911
Energy: 0.7327102526859322
Energy: 0.7791963900711726
Energy: 0.7826627500342603
Energy: 0.7258193027802645
Energy: 0.7912680017337721
Energy: 0.7813590243344541
Energy: 0.7672556931030555
Energy: 0.7756102977742946
Energy: 0.7635512409782602
Energy: 0.6731498818904204
Energy: 0.7765688794612527
Energy: 0.6721694480554473
Energy: 0.7327857206021116
Energy: 0.7286569999270448
Energy: 0.7406180180186452
Energy: 0.7265603831071881
Energy: 0.729295902846049
Energy: 0.7241340633172108
Energy: 0.7359781082410031
Energy: 0.6721935733786543
Energy: 0.6922744207273277
Energy: 0.7361979764694444
Energy: 0.6757755810922031
Energy: 0.7095359712673537
Energy: 0.7496413774912378
Energy: 0.719237265796722
Energy: 0.6910951406687587
Energy: 0.7239359051340458
Energy: 0.6907755083481257
Energy: 0.7411934956388553
Energy: 0.7485785664235258
Energy: 0.6770572654952741
Energy: 0.6723500770845454
Energy: 0.7483382485290796
Energy: 0.673210972582307
Energy: 0.6721771094454979
Energy: 0.7489076679319894
Energy: 0.6924361419621374
Energy: 0.6713663125499407
Energy: 0.6742194851537366
Energy: 0.6839017286279051
Energy: 0.6932136972364922
Energy: 0.6724711406616126
Energy: 0.6734592249649352
Energy: 0.6920792511858461
Energy: 0.6724106144542118
Energy: 0.6856463248973375
Energy: 0.6726641658723108
Energy: 0.6720272854225807
Energy: 0.742161602812073
Energy: 0.7221197362342263
Energy: 0.6721707595473905
Energy: 0.7240981986217492
Energy: 0.6729046104288108
Energy: 0.7537529839613704
Energy: 0.7396445909228393
Energy: 0.6724617396492507
Energy: 0.6573232842246847
Energy: 0.7188556944319239
Energy: 0.6547608562543382
Energy: 0.7580531326363589
Energy: 0.7252900640668045
Energy: 0.7224136835014457
Energy: 0.7547258774568962
Energy: 0.7351363292910883
Energy: 0.7106383315958313
Energy: 0.7818776387085695
Energy: 0.6861536016433736
Energy: 0.7220330371693648
Energy: 0.7847090765007307
Energy: 0.7303082866154176
Energy: 0.7252069409983605
Energy: 0.8288562418470913
Energy: 0.685991441664656
Energy: 0.7172881369070307
Energy: 0.7891203416430432
Energy: 0.6894514937709507
Energy: 0.6551441782807236
Energy: 0.8310399250607513
Energy: 0.7242636930970453
Energy: 0.7731248822477215
Energy: 0.7841178192021079
Energy: 0.725266916335725
Energy: 0.7723088218025634
Energy: 0.7762090985923871
Energy: 0.7876536949626859
Energy: 0.7864061498305337
Energy: 0.6832794329275922
Energy: 0.7872901226980272
Energy: 0.7135779009384275
Energy: 0.7739181895438775
Energy: 0.780655385553623
Energy: 0.79575723257334
Energy: 0.7571942364187185
Energy: 0.7914196800480298
Energy: 0.7835236721873993
Energy: 0.8315475319148132
Energy: 0.7236381763879765
Energy: 0.7371654791462321
Energy: 0.7906530848825597
Energy: 0.7558484839883893
Energy: 0.7560561531554506
Energy: 0.7875530344664013
Energy: 0.7225243614518034
Energy: 0.7369798030916911
Energy: 0.7878507502259467
Energy: 0.7199557303004726
Energy: 0.7550352191976495
Energy: 0.7330958828830114
Energy: 0.7951778771388535
Energy: 0.7825670279780734
Energy: 0.7247193773157332
Energy: 0.7824244520263944
Energy: 0.7828739103304617
Energy: 0.7670350689799826
Energy: 0.77486749986717
Energy: 0.7656674277438444
Energy: 0.6690906027690326
Energy: 0.7752936335682576
Energy: 0.6736446906567406
Energy: 0.733038988397795
Energy: 0.7810688989738815
Energy: 0.7790663503319185
Energy: 0.7264754478562716
Energy: 0.7286458241850959
Energy: 0.7246286105275918
Energy: 0.7369261122593558
Energy: 0.672050687967995
Energy: 0.6922251676999962
Energy: 0.735857037689889
Energy: 0.6750796980835415
Energy: 0.70957918917161
Energy: 0.7481233705612634
Energy: 0.6722202943317106
Energy: 0.6916085532575159
Energy: 0.724064879982682
Energy: 0.6732966968502807
Energy: 0.7410074144325728
Energy: 0.7493769810638753
Energy: 0.672561362606376
Energy: 0.6722299285185269
Energy: 0.7410265389504581
Energy: 0.6738563056954137
Energy: 0.672181882910288
Energy: 0.7492175912110869
Energy: 0.6729593050309599
Energy: 0.6725450834187691
Energy: 0.6750916150632699
Energy: 0.7099384360056069
Energy: 0.6925480889426308
Energy: 0.6722372069538222
Energy: 0.6739878324556818
Energy: 0.6926458439419254
Energy: 0.6723312117293748
Energy: 0.6867121305559959
Energy: 0.6726774599123483
Energy: 0.6722924345235989
Energy: 0.6766276309888399
Energy: 0.6919914625674454
Energy: 0.6722793435557948
Energy: 0.7245584613603576
Energy: 0.6723404692753273
Energy: 0.7538750868622339
Energy: 0.7396120019237091
Energy: 0.6725323963936104
Energy: 0.6569451960387557
Energy: 0.7398553211156832
Energy: 0.6547844014198894
Energy: 0.7568981273681512
Energy: 0.7247711429736851
Energy: 0.7224292413343629
Energy: 0.6554805115636271
Energy: 0.7357270621572208
Energy: 0.7221290120090557
Energy: 0.7246372391154797
Energy: 0.7346177941381207
Energy: 0.7231907111303271
Energy: 0.723801631399228
Energy: 0.6861939522140889
Energy: 0.722784054211484
Energy: 0.8589595124051738
Energy: 0.6859471060414449
Energy: 0.7172820063420725
Energy: 0.7898293950107016
Energy: 0.6575840574410206
Energy: 0.6559712863197608
Energy: 0.8313378634038583
Energy: 0.7255217813763393
Energy: 0.773090432150026
Energy: 0.7828930227212888
Energy: 0.7275457223283323
Energy: 0.7729202875602583
Energy: 0.7759849380646909
Energy: 0.7759259622796142
Energy: 0.7865082878478594
Energy: 0.6868970592800065
Energy: 0.7875067852360955
Energy: 0.7138619335106453

minimum gb energy = 0.6547608562543382 eV
minimum distance =  2.3679051302733 Angstroms
sigma value = 41


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

Energy: 0.9349905661292985
Energy: 0.8002443232443421
Energy: 0.8017980733197246
Energy: 0.794938766576978
Energy: 0.8709593744393315
Energy: 0.798232983723122
Energy: 0.8603136570417911
Energy: 0.8108363881206784
Energy: 0.7981991308733879
Energy: 0.8380603984221766
Energy: 0.8398405019225987
Energy: 0.7978393022315843
Energy: 0.9637825736539463
Energy: 0.7945076327983474
Energy: 0.7927182343398792
Energy: 0.8261028756311619
Energy: 0.7960502302762907
Energy: 0.792686333641076
Energy: 0.8421733536951675
Energy: 0.7945965043155995
Energy: 0.7928514777914829
Energy: 0.8388351709541599
Energy: 0.7961468219481689
Energy: 0.7992873303127569
Energy: 0.8255357455981666
Energy: 0.8066775225385318
Energy: 0.7986500959544229
Energy: 0.8257540669882719
Energy: 0.839774905919114
Energy: 0.7981741607086292
Energy: 0.8365016276092841
Energy: 0.7994034880455788
Energy: 0.7982614950301852
Energy: 0.7958250759462606
Energy: 0.8107130696806141
Energy: 0.79750685075431
Energy: 0.8239973670268838
Energy: 0.8196321322396591
Energy: 0.7988116606355101
Energy: 0.8240484040479933
Energy: 0.8041918530693257
Energy: 0.7981527128017073
Energy: 0.8245132025846766
Energy: 0.7990779643093674
Energy: 0.7978994884936654
Energy: 0.8247452440138043
Energy: 0.7993027071538163
Energy: 0.7986939370974225
Energy: 0.8686856933567444
Energy: 0.7993575407079283
Energy: 0.7983398794851959
Energy: 0.7862665829823359
Energy: 0.8084738251790508
Energy: 0.7978723664830037
Energy: 0.8436815772481803
Energy: 0.8248908735623833
Energy: 0.8029985989009166
Energy: 0.8101148976571684
Energy: 0.8237029504586958
Energy: 0.7990262564522084
Energy: 0.8437275359731761
Energy: 0.8181839730499642
Energy: 0.8136091088916498
Energy: 0.8142206713355679
Energy: 0.8005988115356062
Energy: 0.7978167279153484
Energy: 0.9116569378565021
Energy: 0.7830019408951556
Energy: 0.7832587177219057
Energy: 0.8264739814886134
Energy: 0.7825624392314102
Energy: 0.7838731704764026
Energy: 0.9614186613876059
Energy: 0.8237178491943217
Energy: 0.8121881760691968
Energy: 0.8393094864986572
Energy: 0.8280035996820809
Energy: 0.7984302861031001
Energy: 0.8901195211541809
Energy: 0.8270381026973541
Energy: 0.7828719579527249
Energy: 0.7837366929295991
Energy: 0.8263718798069386
Energy: 0.7834583200973175

minimum gb energy = 0.7825624392314102 eV
minimum distance =  2.3592098513174 Angstroms
sigma value = 11


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

Energy: 0.9363441992359486
Energy: 0.9949582521339654
Energy: 0.9208637424366681
Energy: 0.9380124583022056
Energy: 0.9406563636746335
Energy: 1.0012891172795042
Energy: 1.0498276093108783
Energy: 0.9419137240344808
Energy: 0.9510271615541244
Energy: 0.9340314623542817
Energy: 0.9410638055832601
Energy: 0.9568645826469143
Energy: 1.0950292611328638
Energy: 0.9160018201240835
Energy: 0.9251770818176959
Energy: 0.9346964935637992
Energy: 0.9162744035536728
Energy: 0.9316540858888767
Energy: 0.9718175085868498
Energy: 0.9275377657683903
Energy: 0.9300023155995669
Energy: 0.9303386381869048
Energy: 0.9266753860042545
Energy: 0.9301236519033729
Energy: 0.9727827540302523
Energy: 0.9373139804865598
Energy: 0.938297209810874
Energy: 0.9341736783053759
Energy: 0.940002474041903
Energy: 0.9330079128417691
Energy: 0.9726845758199536
Energy: 0.924130742619234
Energy: 0.9237002278590366
Energy: 0.9359790945950346
Energy: 0.9260173382225676
Energy: 0.9245388088476328
Energy: 0.9614175901024913
Energy: 0.9241319236843456
Energy: 0.922734181748764
Energy: 0.9222244462795957
Energy: 0.9145216790963093
Energy: 0.9256248817701519
Energy: 0.9571809345702426
Energy: 0.9363138855788941
Energy: 0.9342552627183259
Energy: 0.9401380213780892
Energy: 0.9371773366318347
Energy: 0.9350060743022912
Energy: 0.9709922299123882
Energy: 0.9309348105110375
Energy: 0.9311918779079457
Energy: 0.9202229560689509
Energy: 0.9311208389264617
Energy: 0.9315266059744187
Energy: 0.9705894353790591
Energy: 0.9306931084097294
Energy: 0.9313086150596862
Energy: 0.9203229917994117
Energy: 0.9308916027659154
Energy: 0.9315165684144356
Energy: 0.9575226619913723
Energy: 0.9266085054725822
Energy: 0.9380396952613377
Energy: 0.941793095424447
Energy: 0.9455861280089934
Energy: 0.9389957341356187
Energy: 0.940058913468848
Energy: 0.9316817930048045
Energy: 1.0044032048670752
Energy: 0.939515020613835
Energy: 0.9045078155229815
Energy: 1.0047303213777576
Energy: 0.9579468830229685
Energy: 0.9311061049235235
Energy: 0.9268129825317085
Energy: 0.9437891420601896
Energy: 0.9346171146841165
Energy: 0.9265096872454628
Energy: 0.948536303677662
Energy: 0.9332527019012118
Energy: 0.9335263634553402
Energy: 0.9217095945193815
Energy: 0.9333069445167035
Energy: 0.9174397733906937
Energy: 0.9445529074398845
Energy: 0.9283255476015234
Energy: 0.9264944936549395
Energy: 0.9268385768102698
Energy: 0.9275103563522755
Energy: 0.9262003050037082
Energy: 0.9328853962815837
Energy: 0.9288316670826288
Energy: 0.9271602868431256
Energy: 0.9338135826675587
Energy: 0.927288882771566
Energy: 0.9291557176230415
Energy: 0.9477652706944567
Energy: 0.9287076443000281
Energy: 0.9278160321757328
Energy: 0.9163265837142863
Energy: 0.9274800663147834
Energy: 0.9283520285521886
Energy: 0.9590885566257976
Energy: 0.9535478467941885
Energy: 0.9430590210258356
Energy: 0.9293533438476338
Energy: 0.9564172213610039
Energy: 0.9442066686857912
Energy: 0.962671288186347
Energy: 0.9331438723849818
Energy: 0.9335284537887878
Energy: 0.9413504223442313
Energy: 0.9334181056492556
Energy: 0.9276419071570644
Energy: 0.9510420811303463
Energy: 0.9027035703357278
Energy: 0.9025229367934251
Energy: 0.9397459562933039
Energy: 0.9024640846929035
Energy: 0.9287974870243718
Energy: 1.015796456602387
Energy: 0.9294824879543825
Energy: 0.9213574160784946
Energy: 0.9351741604787938
Energy: 0.9326561184953349
Energy: 0.9345961730915902
Energy: 0.9740943689050442
Energy: 0.932880411497647
Energy: 0.9333892312135198
Energy: 0.9390100120063233
Energy: 0.9346740417733621
Energy: 0.9294273193207704
Energy: 0.9526098469964767
Energy: 0.9512045042435558
Energy: 0.9449715619884824
Energy: 0.9039213106725765
Energy: 0.9383083405707099
Energy: 0.925538384490539
Energy: 1.0135953592262985
Energy: 0.9196584291097164
Energy: 0.9294387785146658
Energy: 0.9335310408814784
Energy: 0.9313943866522725
Energy: 0.9297712629725393
Energy: 1.0116338810590464
Energy: 0.9338064504549328
Energy: 0.9335417471931322
Energy: 0.9569149691929052
Energy: 0.9339111555301887
Energy: 0.9277798154129139
Energy: 0.9833897839082074
Energy: 0.9190513162625977
Energy: 0.9282658913623896
Energy: 0.9273970964892073
Energy: 0.9160851551376743
Energy: 0.9272303048196661
Energy: 0.982638207422453
Energy: 0.9311036438906679
Energy: 0.9295045143096188
Energy: 0.926977176652588
Energy: 0.9346594110079086
Energy: 0.9269597233306479
Energy: 0.982149186844032
Energy: 0.9299015520545219
Energy: 0.9269918902695263
Energy: 0.9271552523919341
Energy: 0.9265945012988299
Energy: 0.9265687054054498
Energy: 0.9990021086601134
Energy: 0.9284925459373606
Energy: 0.9308041084153068
Energy: 0.9683449404485716
Energy: 0.936073800484871
Energy: 0.928352301535402
Energy: 1.098010100229791
Energy: 0.9415761034412764
Energy: 0.9272482119254212
Energy: 0.9332094982931461
Energy: 0.944125759582276
Energy: 0.9288876498762927
Energy: 0.9673354977095312
Energy: 0.9522503445121788
Energy: 0.9563892357003179
Energy: 0.9034777107339127
Energy: 0.94125290316355
Energy: 0.9566544492523246

minimum gb energy = 0.9024640846929035 eV
minimum distance =  2.31288782406414 Angstroms
sigma value = 57


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

Energy: 1.2549754550699497
Energy: 0.988019418340441
Energy: 1.0604958540455265
Energy: 1.0610307377763655
Energy: 0.9604047069964087
Energy: 1.063750172096084
Energy: 0.9553606245436986
Energy: 0.9560254283143979
Energy: 0.9549520081432614
Energy: 0.9546242576073812
Energy: 0.9590911809656499
Energy: 0.9532035312150856
Energy: 1.0273360947087913
Energy: 0.9471989441278279
Energy: 0.9463271975255215
Energy: 0.9568266918566207
Energy: 0.9490005076270299
Energy: 0.9511598616010818
Energy: 0.9653406762836946
Energy: 0.9517134215990952
Energy: 0.9518423382792638
Energy: 0.9577398177856895
Energy: 0.9440377890724084
Energy: 0.9538659669416868
Energy: 1.028237612640545
Energy: 0.9564599560832384
Energy: 0.9537039699542863
Energy: 0.9543045231084497
Energy: 0.957710026929972
Energy: 0.9510749994397628
Energy: 0.9683881789982629
Energy: 0.9499540921540662
Energy: 0.9500046685643493
Energy: 0.9556434060231069
Energy: 0.9805377605649881
Energy: 0.9531476984285153
Energy: 0.9909600329391816
Energy: 0.9409807204283155
Energy: 0.9416044251703187
Energy: 0.9743619782761179
Energy: 0.9414527692754217
Energy: 0.9509282628081648
Energy: 0.9889045698172205
Energy: 0.9505380046849086
Energy: 0.953259518608281
Energy: 0.9579779645343031
Energy: 0.9510829914374668
Energy: 0.9533923894992716
Energy: 0.9550871788616498
Energy: 0.9570354091064489
Energy: 0.9414663626598154
Energy: 0.9428662561391347
Energy: 0.9569526954292472
Energy: 0.9424618036315768
Energy: 0.9548960768339718
Energy: 0.9576138200915125
Energy: 0.9412882678605102
Energy: 0.9425313764976272
Energy: 0.9577820584091322
Energy: 0.9421285738041105
Energy: 1.0195886743504614
Energy: 0.9494604547007293
Energy: 0.9494219902644748
Energy: 0.9581757921913726
Energy: 0.9506728301830365
Energy: 0.9511579463701912
Energy: 0.9654887231667733
Energy: 0.9435565027500221
Energy: 0.943326818711986
Energy: 0.9577381598452529
Energy: 0.9443258522764383
Energy: 0.9521163365267833
Energy: 0.966238377390367
Energy: 0.9539528707503697
Energy: 0.9534578631960378
Energy: 0.953263005182119
Energy: 0.9565036885014083
Energy: 0.9511809661622997
Energy: 0.9676692113465925
Energy: 0.9534483788569947
Energy: 0.9507731158123527
Energy: 0.9550713490673453
Energy: 0.956944691090725
Energy: 0.9500962217328077
Energy: 0.9899015416705074
Energy: 0.9414675654482946
Energy: 0.9516511442546604
Energy: 0.9510919147579558
Energy: 0.9429195684955951
Energy: 0.9505458343520183
Energy: 1.027565433403615
Energy: 0.9410825214246752
Energy: 0.941618831978656
Energy: 0.9580785213318154
Energy: 0.9427188079626844
Energy: 0.950899590348985
Energy: 0.9558043997920205
Energy: 0.9555447173501923
Energy: 0.9543267847314538
Energy: 0.9410448508709598
Energy: 0.9584596073628151
Energy: 0.9535614557458345

minimum gb energy = 0.9409807204283155 eV
minimum distance =  2.32637992873729 Angstroms
sigma value = 9


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

Energy: 1.532506634104106
Energy: 0.9649335609800632
Energy: 1.0137820375801425
Energy: 1.04084953090031
Energy: 1.0157785513167161
Energy: 1.0394800193654061
Energy: 1.1236396885827633
Energy: 0.99691263292171
Energy: 0.9885834496073691
Energy: 0.9991194984171875
Energy: 0.9985238054816895
Energy: 0.9895019179846021
Energy: 1.0354374180808132
Energy: 0.990041836167043
Energy: 0.9948911009568848
Energy: 1.0321541488225796
Energy: 0.9935742723124944
Energy: 1.0312876527154464
Energy: 1.0202513010757845
Energy: 0.9941385725198993
Energy: 0.9977580402173966
Energy: 0.9958789937371326
Energy: 1.0041743038543967
Energy: 0.9973894976663968
Energy: 1.0163336651918975
Energy: 0.9727620840644378
Energy: 0.9734692665593461
Energy: 0.9938312180399291
Energy: 0.9742627618735837
Energy: 0.9738828110853468
Energy: 1.0122340514673989
Energy: 0.9815698244212155
Energy: 0.9799050351433415
Energy: 0.994918576284863
Energy: 0.9845854850580252
Energy: 0.9827277143418037
Energy: 1.0254305803572674
Energy: 0.9807816210601803
Energy: 1.0228403041244285
Energy: 0.9740748739230115
Energy: 0.9834848718792303
Energy: 1.0144188192430244
Energy: 1.0891840561078403
Energy: 0.9952575748318516
Energy: 0.9902225171960194
Energy: 0.9894718965459306
Energy: 0.993674238232223
Energy: 0.9848250761055931
Energy: 1.065400491259953
Energy: 0.9725195174150094
Energy: 0.9745340233307077
Energy: 1.0309748432573518
Energy: 0.9727920380605962
Energy: 0.9925157952761008
Energy: 1.064201143399505
Energy: 0.9737081370412286
Energy: 0.9747383320497394
Energy: 1.0301897751092786
Energy: 0.9736766311253737
Energy: 0.9750134028317656
Energy: 1.0456544729832637
Energy: 0.9759460439016671
Energy: 0.9798305847255072
Energy: 0.9748492180989172
Energy: 0.9770321595674172
Energy: 0.9789235174398123
Energy: 1.0460734276364014
Energy: 0.9934791983602782
Energy: 0.9908334995315725
Energy: 0.996327434531952
Energy: 0.994691628455195
Energy: 0.989209105106772
Energy: 1.141009585017468
Energy: 0.9884720960026375
Energy: 1.0231241898437595
Energy: 0.9839206548469192
Energy: 0.9891755535348545
Energy: 0.9805504611698116
Energy: 1.1237821444059266
Energy: 0.9931033872701843
Energy: 0.9917045206900547
Energy: 1.060168637133101
Energy: 0.9953885279171538
Energy: 0.9914937856427353
Energy: 1.0549067077461598
Energy: 0.9915891365485217
Energy: 0.9908191570835854
Energy: 0.9816230361250468
Energy: 0.9941898320534583
Energy: 0.981622299817982
Energy: 1.0457272205865535
Energy: 0.9936600846105035
Energy: 0.981068632900759
Energy: 0.9747901439506643
Energy: 0.9918752797369396
Energy: 0.9798984550095324
Energy: 1.051777636113976
Energy: 0.9998737233819317
Energy: 0.9983261956572763
Energy: 1.0067519868367671
Energy: 0.9942263686413886
Energy: 0.9988032844242577
Energy: 1.096996975112181
Energy: 1.0228211053645924
Energy: 1.0189668395214617
Energy: 1.0191035276268454
Energy: 1.0234863479878396
Energy: 1.0201920827518092
Energy: 1.0433323968365957
Energy: 0.9924912358854644
Energy: 0.9902146540610299
Energy: 0.9923143493300403
Energy: 1.0099068498351413
Energy: 0.9885398285747663
Energy: 1.0378302728708848
Energy: 0.9923829515289102
Energy: 0.9905604865634668
Energy: 0.9901069710763007
Energy: 0.9936557742807917
Energy: 0.9891766730385947
Energy: 1.077184388471307
Energy: 0.9967716537449379
Energy: 0.9964882242413999
Energy: 0.9786502924595499
Energy: 0.9989292747415068
Energy: 0.9907636383237515

minimum gb energy = 0.9649335609800632 eV
minimum distance =  2.27796590632286 Angstroms
sigma value = 27


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

Energy: 1.1080553270873232
Energy: 0.9619293785422238
Energy: 0.9556022857686798
Energy: 0.9580683286159826
Energy: 1.4624853697904738
Energy: 0.9586608433777822
Energy: 1.0143677676936362
Energy: 0.9692592851917069
Energy: 0.9809684220362852
Energy: 0.9701014394207235
Energy: 0.9713582135404405
Energy: 0.9703581801220551
Energy: 1.0334405218739684
Energy: 0.9689515488253941
Energy: 0.9669226130395163
Energy: 0.9610705940739565
Energy: 0.9643704335526448
Energy: 0.9673142588191063
Energy: 1.00950633047986
Energy: 0.9694227397679961
Energy: 0.9650539065286444
Energy: 0.9599513567297284
Energy: 0.9728160606988394
Energy: 0.9636889343359727
Energy: 0.9719311283778216
Energy: 0.9694671221803037
Energy: 0.9589599952230452
Energy: 0.959733768877774
Energy: 0.9702973819824348
Energy: 0.9598275512580628
Energy: 1.0099878459853062
Energy: 0.96856196504405
Energy: 0.967329416598484
Energy: 0.9785640715982766
Energy: 0.9710746928249783
Energy: 0.96765500889881
Energy: 1.0418061192592096
Energy: 0.9300024943379401
Energy: 0.9280721476907815
Energy: 0.9613348149617543
Energy: 0.9311075317028693
Energy: 0.9234484972697943
Energy: 1.0354778434837293
Energy: 0.9431163717009099
Energy: 0.9789440223591759
Energy: 0.9746451224577103
Energy: 0.9407853330709783
Energy: 0.9725317680713798
Energy: 1.158696682066363
Energy: 0.9589782259837281
Energy: 0.9588916025517739
Energy: 0.9592051504720479
Energy: 0.9617190572597457
Energy: 0.9591899397005851
Energy: 1.1614787734960563
Energy: 0.9612084424226474
Energy: 0.9795454279717283
Energy: 0.9591041814686155
Energy: 0.9613645787157237
Energy: 0.9592156700509158
Energy: 1.0373429019038731
Energy: 0.9712012825790489
Energy: 0.9610034988205711
Energy: 0.9617235444631933
Energy: 0.9607187549243391
Energy: 0.9754766933352365
Energy: 1.048286884005386
Energy: 0.9706396791406973
Energy: 0.9686284564319994
Energy: 0.9756093991201369
Energy: 0.9737509976384449
Energy: 0.9681781338068015
Energy: 0.9613523693771454
Energy: 0.9717383464461933
Energy: 0.9270009799759421
Energy: 0.9326498956381825
Energy: 0.9724263595086422
Energy: 0.9267101726733776
Energy: 0.9436141638284281
Energy: 0.9743168908841834
Energy: 0.9771327797609213
Energy: 0.9396896706840062
Energy: 0.9711034580963782
Energy: 0.9267648244221675
Energy: 1.030412406737946
Energy: 0.9594085755467944
Energy: 0.9699094969374912
Energy: 0.9700875428619302
Energy: 0.9607709201484421
Energy: 0.9697564128441021
Energy: 1.0247633790057684
Energy: 0.9653914146781155
Energy: 0.9639538326019429
Energy: 0.9614055938396123
Energy: 0.9673127936773938
Energy: 0.957971745456811
Energy: 0.9727067320376025
Energy: 0.9705295326365809
Energy: 0.9693501681328172
Energy: 0.9601330517371538
Energy: 0.9686424332493825
Energy: 0.9692838878129563
Energy: 1.0146399418469414
Energy: 0.9655744368494252
Energy: 0.9581867214406009
Energy: 0.9683975377475743
Energy: 0.9679786750314611
Energy: 0.9581690998328835
Energy: 1.0345927850218162
Energy: 0.9309458339441251
Energy: 0.9299003072972123
Energy: 0.9726785608140364
Energy: 0.9427419718597512
Energy: 0.9293611744555564
Energy: 1.0454109983260869
Energy: 0.9312558923335098
Energy: 0.9303204733892428
Energy: 0.962366290681621
Energy: 0.9427916668453384
Energy: 0.9297231944911997
Energy: 1.1532061434490015
Energy: 0.9832014746336127
Energy: 0.9648672821207578
Energy: 0.9689291018082207
Energy: 0.9836977318227657
Energy: 0.9640153769821117
Energy: 0.9729120795632771
Energy: 0.958519792929264
Energy: 0.9605257109009244
Energy: 0.9638332928466461
Energy: 0.9702163373225108
Energy: 0.9566878229346246
Energy: 1.0605285442348855
Energy: 0.9781751365203047
Energy: 0.9796383566750043
Energy: 0.9598154805894978
Energy: 0.9790741199749511
Energy: 0.9882104088365503
Energy: 1.0589427727625993
Energy: 0.9691862104300902
Energy: 0.9678079836535041
Energy: 0.9658339270191886
Energy: 0.9716712222091605
Energy: 0.9680673307061622
Energy: 1.005375394282659
Energy: 0.9776389555696736
Energy: 0.9758818590853656
Energy: 0.9603271577425795
Energy: 0.9760929050197935
Energy: 0.9533577345859758

minimum gb energy = 0.9234484972697943 eV
minimum distance =  2.27592463529466 Angstroms
sigma value = 19


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

Energy: 1.4926155122346805
Energy: 0.9300446225262601
Energy: 0.9540753398493673
Energy: 0.9414282409566728
Energy: 0.9465775217453606
Energy: 0.9536732094167016
Energy: 1.0368556978849826
Energy: 0.9509025646614438
Energy: 0.9541716511461514
Energy: 0.9353099239649997
Energy: 0.9472259598473433
Energy: 0.9352176574222427
Energy: 1.0292369466320972
Energy: 0.9350777284241002
Energy: 0.9355283442615885
Energy: 0.9406783102645884
Energy: 0.9369238237990687
Energy: 0.938848895416237
Energy: 0.9708019152425229
Energy: 0.9484008224326012
Energy: 0.9347105141880565
Energy: 0.9420705475266468
Energy: 0.9475434435249824
Energy: 0.9360722035589341
Energy: 0.9645993977216143
Energy: 0.9419769872283797
Energy: 0.9381812834470187
Energy: 0.9458329143262518
Energy: 0.9361868853348209
Energy: 0.9392586070155815
Energy: 0.976798966166507
Energy: 0.9488523568554215
Energy: 0.9496724799676269
Energy: 0.9438597671361335
Energy: 0.9524689670263563
Energy: 0.9518537824016591
Energy: 0.9873572882875309
Energy: 0.9367979565175424
Energy: 0.9366683462554274
Energy: 0.9279768406886572
Energy: 0.9376715492425141
Energy: 0.9464807617494375
Energy: 0.9651131430158174
Energy: 0.9373575602543892
Energy: 0.935479374319838
Energy: 0.9668186579845804
Energy: 0.9337308535049141
Energy: 0.9353043279663479
Energy: 0.9549244282365679
Energy: 0.9375605025744306
Energy: 0.9372467663377764
Energy: 0.9410420242517576
Energy: 0.9392634252481037
Energy: 0.9361309388545221
Energy: 0.9562875042069509
Energy: 0.9420125061437062
Energy: 0.9401028500288726
Energy: 0.943497055087474
Energy: 0.9455005671831538
Energy: 0.9352213353193708
Energy: 1.0243571794569795
Energy: 0.9229148822996398
Energy: 0.9222482062749084
Energy: 0.9345572027583141
Energy: 0.921449161099248
Energy: 0.9232867097703293
Energy: 1.0425974288932203
Energy: 0.9315772639604879
Energy: 0.9330210058837278
Energy: 0.9230063907830883
Energy: 0.9304987866504117
Energy: 0.9289104723911411
Energy: 0.9943324468657436
Energy: 0.9322082750412685
Energy: 0.9434825746992738
Energy: 0.9199685780175707
Energy: 0.9305843430799489
Energy: 0.9577324285131039
Energy: 1.0393431125330506
Energy: 0.9550238733482816
Energy: 0.9386683358463223
Energy: 0.9211090663168245
Energy: 0.9559233156804868
Energy: 0.9357252071658834
Energy: 1.04471632753727
Energy: 0.9296164275306024
Energy: 0.9265518892298412
Energy: 0.9302661032995074
Energy: 0.9264844470281246
Energy: 0.9269989752323
Energy: 1.0397929202998522
Energy: 0.9232936715604136
Energy: 0.9243105413039922
Energy: 0.920672398243315
Energy: 0.9234673191005572
Energy: 0.9250269713484218
Energy: 0.9761736912802368
Energy: 0.9436270729152586
Energy: 0.9500234637452376
Energy: 0.9244785464954545
Energy: 0.9450493618084159
Energy: 0.964585314456836
Energy: 1.0071532232181368
Energy: 0.9200539825984414
Energy: 0.9205882515863776
Energy: 0.9201543724393724
Energy: 0.9208190698065121
Energy: 0.9263110416480089
Energy: 1.0234286579274932
Energy: 0.9216599585175451
Energy: 0.9206784455830472
Energy: 0.9307030028493227
Energy: 0.9252864119985446
Energy: 0.9211813688110605
Energy: 0.9669874295253904
Energy: 0.9281630678345818
Energy: 0.9204589155958597
Energy: 0.9302765948278737
Energy: 0.9253950874325688
Energy: 0.9215792971695388
Energy: 0.9312676430987213
Energy: 0.9210335621350507
Energy: 0.9209889796474984
Energy: 0.9226375799595374
Energy: 0.9208577654082373
Energy: 0.9247940771683196
Energy: 0.9316287514727929
Energy: 0.9224465150873
Energy: 0.9221470330995517
Energy: 0.9261087959666084
Energy: 0.922156270900811
Energy: 0.9226499017116632
Energy: 0.9776361570108382
Energy: 0.9179700576252118
Energy: 0.9172160833672098
Energy: 0.9523761374589993
Energy: 0.9182159640670232
Energy: 0.9256805169582204
Energy: 1.0030878274996244
Energy: 0.9197807692716521
Energy: 0.925097437949141
Energy: 0.9443130419793114
Energy: 0.9175898410076924
Energy: 0.9224498514813846
Energy: 0.9875630147868426
Energy: 0.9219866556603602
Energy: 0.9219858466083551
Energy: 0.9304331321175208
Energy: 0.9220240530754401
Energy: 0.9218196593888042
Energy: 0.9744343295814265
Energy: 0.9340591844297279
Energy: 0.9363234859370125
Energy: 0.9372037379451889
Energy: 0.9439610675451092
Energy: 0.9278452587802897
Energy: 1.0297882687843585
Energy: 0.935023876536638
Energy: 0.9353083305217269
Energy: 0.9330322172454615
Energy: 0.93701986454647
Energy: 0.9388673214390231
Energy: 1.0290674504535253
Energy: 0.9489893997853488
Energy: 0.9345301514019664
Energy: 0.934798003699138
Energy: 0.9428545286039015
Energy: 0.9346561211208294
Energy: 1.0071804168460479
Energy: 0.9811642117757742
Energy: 0.9737658674281507
Energy: 0.9177855578213676
Energy: 0.9782656216260236
Energy: 0.9207789432910964

minimum gb energy = 0.9172160833672098 eV
minimum distance =  2.30176517012396 Angstroms
sigma value = 101


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

Energy: 1.3575722365919447
Energy: 0.9015622985365123
Energy: 0.8992268900369558
Energy: 0.8955414901142409
Energy: 0.9352748822577641
Energy: 0.8937097507342086
Energy: 1.031306586281993
Energy: 0.8942826399941272
Energy: 0.892393769848941
Energy: 0.8964533261716394
Energy: 0.8945608127799084
Energy: 0.903161858593868
Energy: 1.0131276297322946
Energy: 0.8891928907311392
Energy: 0.8956630004405439
Energy: 0.897658304740005
Energy: 0.8897278451846665
Energy: 0.896127572046928
Energy: 0.931447550834612
Energy: 0.8955833406771284
Energy: 0.8945338135448281
Energy: 0.8948830997811901
Energy: 0.8961186260433581
Energy: 0.8957032911589095
Energy: 0.9123896038974679
Energy: 0.897561819262921
Energy: 0.8974416896765518
Energy: 0.8945927143640039
Energy: 0.898640036395094
Energy: 0.8975321609242689
Energy: 0.9256194897472045
Energy: 0.8888312755528188
Energy: 0.8882334525746437
Energy: 0.895438650050786
Energy: 0.8889786980634377
Energy: 0.8948620977137226
Energy: 0.9534942045974591
Energy: 0.8857905819848294
Energy: 0.8942258712844291
Energy: 0.9306658032289347
Energy: 0.8875543341315599
Energy: 0.8941244623971127
Energy: 0.8969921845154052
Energy: 0.8941213346913964
Energy: 0.8951969155450039
Energy: 0.888773469157355
Energy: 0.8875824175219352
Energy: 0.8971704833188984
Energy: 0.9008402784167701
Energy: 0.8974164619759077
Energy: 0.8958778817550538
Energy: 0.8878224098267882
Energy: 0.8981881507843105
Energy: 0.889688717800728
Energy: 0.9028359156418256
Energy: 0.8934635470585273
Energy: 0.8927497832923336
Energy: 0.8913576217124443
Energy: 0.8917290565938527
Energy: 0.8915852679614937
Energy: 1.0077401429429584
Energy: 0.8951291801901694
Energy: 0.893734590664023
Energy: 0.898165161461559
Energy: 0.8793259127322622
Energy: 0.8796087867657952
Energy: 1.0003152596932463
Energy: 0.8932637184417336
Energy: 0.8936105064907551
Energy: 0.8998153897634721
Energy: 0.89288273585526
Energy: 0.8935566770722186
Energy: 0.9302644925690474
Energy: 0.8985193225861424
Energy: 0.9116551357113652
Energy: 0.8869298442835197
Energy: 0.9095718468297647
Energy: 0.9065624776393593
Energy: 0.9298796761922817
Energy: 0.898111712233522
Energy: 0.8957677468646924
Energy: 0.8838022972480386
Energy: 0.8941391972138099
Energy: 0.8931321884891742
Energy: 1.0141264637615666
Energy: 0.8894449852262173
Energy: 0.8918856325692449
Energy: 0.8990315847419714
Energy: 0.8866199006436317
Energy: 0.893346269390429
Energy: 1.0144213308552814
Energy: 0.8939578370948295
Energy: 0.8944927422763553
Energy: 0.8953576088410349
Energy: 0.8944982988804565
Energy: 0.8946488130118362
Energy: 0.942447536308309
Energy: 0.9351973606992633
Energy: 0.9170687129194106
Energy: 0.8806389807715912
Energy: 0.9323838572727856
Energy: 0.8780235900141466
Energy: 1.0311234823811275
Energy: 0.8986190402278244
Energy: 0.8962107408988805
Energy: 0.8960790222701857
Energy: 0.8948430427560724
Energy: 0.8990457824989407
Energy: 1.0128984650811963
Energy: 0.8929446617085545
Energy: 0.8937883531836351
Energy: 0.8984689193655689
Energy: 0.8935428345119131
Energy: 0.8955143557771923
Energy: 0.9875605730906198
Energy: 0.8938369692199599
Energy: 0.8955418306378884
Energy: 0.8942879611527828
Energy: 0.8940669888929473
Energy: 0.8966069424691775
Energy: 0.9155309662716002
Energy: 0.8974802021592317
Energy: 0.8963543266067191
Energy: 0.8930192466792127
Energy: 0.8987431626078637
Energy: 0.8960014574362797
Energy: 0.9320447589920956
Energy: 0.8951291924266204
Energy: 0.894533359827345
Energy: 0.8954693756193978
Energy: 0.8958628463018768
Energy: 0.8975011928591979
Energy: 0.9472036983097676
Energy: 0.8879999372015357
Energy: 0.8900306301216058
Energy: 0.9032069284024264
Energy: 0.8846718611958208
Energy: 0.8911596438061534
Energy: 0.8965650477633481
Energy: 0.8875675219684875
Energy: 0.8888086374857777
Energy: 0.9063918980204754
Energy: 0.8876775339661483
Energy: 0.8949650161245781
Energy: 0.9033623794066276
Energy: 0.8940616276636445
Energy: 0.8982862459479007
Energy: 0.8917613878052484
Energy: 0.8942206014295873
Energy: 0.8952736646613675
Energy: 0.901929465952846
Energy: 0.8916742657120695
Energy: 0.8959678324879826
Energy: 0.8918143176356156
Energy: 0.8910366190860304
Energy: 0.8923994400485652
Energy: 0.977320303068785
Energy: 0.8862453530459734
Energy: 0.8854796964994044
Energy: 0.9101143413575417
Energy: 0.8766655256516178
Energy: 0.885970131562532
Energy: 1.013071836813622
Energy: 0.8826181267100389
Energy: 0.8839080550736012
Energy: 0.8943020637005071
Energy: 0.883925340148974
Energy: 0.8967379737635653
Energy: 0.9294337113423699
Energy: 0.8995029920296098
Energy: 0.8971077440022004
Energy: 0.883870255465361
Energy: 0.9094498472397761
Energy: 0.8927658461912632
Energy: 0.9289139412708788
Energy: 0.8919530805496563
Energy: 0.8965272878101769
Energy: 0.8852403687496205
Energy: 0.8925435675415154
Energy: 0.8941859402250456
Energy: 1.0127206177057688
Energy: 0.8903360888822426
Energy: 0.8917771094667762
Energy: 0.8931821347659039
Energy: 0.8901901347047867
Energy: 0.8963159661944528
Energy: 1.0135685496143365
Energy: 0.8955980984532861
Energy: 0.8962489294603082
Energy: 0.8946075232259356
Energy: 0.8943459307480993
Energy: 0.8945075594522499
Energy: 0.9335647696764415
Energy: 0.9322841127707095
Energy: 0.8983031349907635
Energy: 0.8722564905702384
Energy: 0.9171448750555542
Energy: 0.896169110304305

minimum gb energy = 0.8722564905702384 eV
minimum distance =  2.26665821526007 Angstroms
sigma value = 33


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

Energy: 0.014673199312122576
Energy: 0.015444367345117244
Energy: 0.015326014049922692
Energy: 0.016306995317290456
Energy: 0.8576846894940664
Energy: 0.023603357224345173
Energy: 0.015363497215105737
Energy: 0.1111972310433521
Energy: 0.11167084365295055
Energy: 0.11321450404149079
Energy: 0.1122394816462584
Energy: 0.11172971830980086
Energy: 1.2140556843526031
Energy: 0.8578942245872416
Energy: 0.8566745403955753
Energy: 0.8602252607321001
Energy: 0.8592707310679378
Energy: 0.8566132208451274
Energy: 0.46116025125287097
Energy: 0.11119723104293862
Energy: 0.11167084365209932
Energy: 0.11321450404107733
Energy: 0.11223948164710963
Energy: 0.11172971831065209

minimum gb energy = 0.014673199312122576 eV
minimum distance =  2.5346347308482 Angstroms
sigma value = 1