Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.878740459680557
cohesive_energy=3.900576668706534
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.1666153029872959e-19, 1.8396512546914799e-19, 2.40457873583988e-19, 2.89090343132424e-19, 3.31797963488328e-19, 3.69671816939454e-19, 4.0345210909070993e-19, 4.3367717129111996e-19, 4.60765171642158e-19, 4.850942238294479e-19, 5.07015204535836e-19, 5.2660341606311995e-19, 5.43950182479438e-19, 5.5925577586404e-19, 5.72680413880326e-19, 5.84350668482382e-19, 5.94369078974784e-19, 6.02828571602304e-19, 6.098108573732759e-19, 6.153880342362299e-19, 6.19627393609794e-19, 6.22586613852792e-19, 6.243249755006819e-19, 6.24892146029118e-19, 6.2428011455493e-19, 6.22295017705404e-19, 6.186773028658319e-19, 6.130953194729759e-19, 6.05148523368336e-19, 5.94380294211222e-19, 5.80237881062904e-19, 5.620499719137359e-19, 5.38983434914038e-19, 5.100176835479519e-19, 4.73882191744716e-19, 4.2899080463667e-19, 3.7337765149389597e-19, 3.04568971593498e-19, 2.1919538747417396e-19, 1.129290996121632e-19, -1.9763970304033798e-20, -1.8625463587913397e-19, -3.9650026467578396e-19, -6.64151882268654e-19, -1.0084388126190119e-18, -1.4565660149721779e-18, -2.0477419559154e-18, -2.8424696316784195e-18, -3.93334363647e-18, -5.46946252785018e-18, -7.70163103610532e-18, -1.10768884856541e-17, -1.64389731354936e-17, -2.5484702193394197e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -2.94648931732711e-25 eV

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

Energy: 0.013066673636835379
Energy: 0.013696373622794068
Energy: 0.013805078319176864
Energy: 0.013332673944376816
Energy: 0.342969061245543
Energy: 0.013529425806648902
Energy: 0.013696373622521657
Energy: 0.1003465333952664
Energy: 0.10022377574710577
Energy: 0.09980395637210505
Energy: 0.10007500386143886
Energy: 0.09984187831574147
Energy: 0.013805078318904455
Energy: 0.10022377574737815
Energy: 0.10010829856965461
Energy: 0.013569177603855155
Energy: 0.09993658888210619
Energy: 0.10013226486105245
Energy: 0.013332673944649225
Energy: 0.09980395637210505
Energy: 0.013569177603855155
Energy: 0.013253728652163918
Energy: 0.09991704122740144
Energy: 0.01356454757214891
Energy: 0.342969061245543
Energy: 0.10007500386171128
Energy: 0.09993658888210619
Energy: 0.09991704122767385
Energy: 0.09989619396409583
Energy: 0.10009384454698513
Energy: 0.013529425806648902
Energy: 0.09984187831574147
Energy: 0.10013226486105245
Energy: 0.01356454757214891
Energy: 0.10009384454698513
Energy: 0.013785402876385118

minimum gb energy = 0.013066673636835379 eV
minimum distance =  2.73775138124227 Angstroms
sigma value = 1


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

Energy: 1.048358172237211
Energy: 0.7289198552834529
Energy: 0.7943386832355868
Energy: 0.707769786616272
Energy: 0.7527382834978487
Energy: 0.770690708960813
Energy: 1.0174920212668634
Energy: 0.7420129221592531
Energy: 0.7422372371811711
Energy: 0.7007849802603868
Energy: 0.7419758881493298
Energy: 0.7276477293453399
Energy: 0.8756003213786264
Energy: 0.7426545144111585
Energy: 0.7422452332924688
Energy: 0.7406081382568345
Energy: 0.7423967907706291
Energy: 0.728605263467593
Energy: 1.0721521882334715
Energy: 0.7255307675604482
Energy: 0.7253620400479166
Energy: 0.734918988489057
Energy: 0.7359975119519391
Energy: 0.7239685092462418
Energy: 0.9757453627732282
Energy: 0.748517525495749
Energy: 0.747301547457879
Energy: 0.6407904039265175
Energy: 0.7180904370990593
Energy: 0.7472941477709952
Energy: 0.9719094348820604
Energy: 0.7441813917011401
Energy: 0.7433650466749272
Energy: 0.7416532953619496
Energy: 0.7435478309336567
Energy: 0.7445772350701358
Energy: 0.9644189884717168
Energy: 0.7093786364824489
Energy: 0.7424636921884451
Energy: 0.7427238252319295
Energy: 0.6946889757670286
Energy: 0.743272052738578
Energy: 0.918029094869581
Energy: 0.7380209726155676
Energy: 0.7381445763975771
Energy: 0.6955973684562331
Energy: 0.73910546693413
Energy: 0.6658213535507352
Energy: 0.7999264125429725
Energy: 0.7311598727438816
Energy: 0.7442659019375155
Energy: 0.7449365400298719
Energy: 0.743535037552019
Energy: 0.7416850298175561
Energy: 0.7995909968067253
Energy: 0.7415659078632327
Energy: 0.744138239218641
Energy: 0.7153362430936566
Energy: 0.7418603623146418
Energy: 0.7280283491742457
Energy: 0.8469786334051669
Energy: 0.7449387403597645
Energy: 0.7444948268298338
Energy: 0.771682696867322
Energy: 0.7386690672486432
Energy: 0.7441547135117009
Energy: 0.7436768849420736
Energy: 0.713199882718733
Energy: 0.7404922304699331
Energy: 0.7438052811808761
Energy: 0.7390702132201163
Energy: 0.7264241197948416
Energy: 0.7433759698044494
Energy: 0.729635964520693
Energy: 0.7611969180846561
Energy: 0.743059016868584
Energy: 0.6873211596396368
Energy: 0.7199198691825774
Energy: 0.7602552370702137
Energy: 0.7572566532064484
Energy: 0.7459506975850901
Energy: 0.778241201777518
Energy: 0.743556081112066
Energy: 0.7105402000775358
Energy: 0.760909657282979
Energy: 0.7404809329193609
Energy: 0.7336861122850321
Energy: 0.7288429856317599
Energy: 0.7446699977797738
Energy: 0.7270662501979656
Energy: 0.7615342277203166
Energy: 0.7123952836531824
Energy: 0.7469501098996171
Energy: 0.749409417151429
Energy: 0.7443573755957573
Energy: 0.7473680789169032
Energy: 0.8773097718811135
Energy: 0.7400554553940581
Energy: 0.7398590216174592
Energy: 0.7473161989385719
Energy: 0.7407698316344548
Energy: 0.7463842577359441
Energy: 0.8747521327631322
Energy: 0.6597650354815702
Energy: 0.7438271066352435
Energy: 0.7415852974384969
Energy: 0.6952008318062602
Energy: 0.741732037242705
Energy: 0.8747456217488254
Energy: 0.7429326099916302
Energy: 0.7402201679905905
Energy: 0.7335833739736883
Energy: 0.7408821535245697
Energy: 0.7398970072592532
Energy: 0.8770661908920472
Energy: 0.7439003896961565
Energy: 0.7411968352187234
Energy: 0.6757383413471689
Energy: 0.7334341008374032
Energy: 0.7405720610337222
Energy: 1.0146519373208662
Energy: 0.7261937259698324
Energy: 0.7034543155869973
Energy: 0.7449481515945743
Energy: 0.7702781721166737
Energy: 0.706532217363348
Energy: 0.8237862687673103
Energy: 0.7487668032390635
Energy: 0.7477375488622656
Energy: 0.7420721913938145
Energy: 0.7468818141680026
Energy: 0.7246293286503976
Energy: 1.018488329875543
Energy: 0.7267954417836525
Energy: 0.7268840747258266
Energy: 0.6300338121144968
Energy: 0.726845048771696
Energy: 0.7273529041800438

minimum gb energy = 0.6300338121144968 eV
minimum distance =  2.55290217100359 Angstroms
sigma value = 33


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

Energy: 1.1481273230532398
Energy: 0.7953462521056736
Energy: 0.7700013030721283
Energy: 0.767937637347176
Energy: 0.747050402144181
Energy: 0.769882175710291
Energy: 0.8372548475374398
Energy: 0.7454347664303875
Energy: 0.7442267080430818
Energy: 0.7483917112232797
Energy: 0.7449958855388673
Energy: 0.7520435113310034
Energy: 0.8917352462714115
Energy: 0.7444833065366373
Energy: 0.7444308999935833
Energy: 0.7634637125806161
Energy: 0.7445772725977777
Energy: 0.7457570554522986
Energy: 0.9855107897991461
Energy: 0.7397669344254985
Energy: 0.7404226524260615
Energy: 0.7492377105156829
Energy: 0.7481285982579552
Energy: 0.7489779153339348
Energy: 0.9002573523912122
Energy: 0.7524639047181577
Energy: 0.7541671902591974
Energy: 0.7487198492053904
Energy: 0.7528450520419551
Energy: 0.7511146333342291
Energy: 0.9684973789207537
Energy: 0.7531271214208957
Energy: 0.7535303192446215
Energy: 0.7272350193782392
Energy: 0.7526449035651835
Energy: 0.7515254291525508
Energy: 0.9669062952609621
Energy: 0.752605448280331
Energy: 0.7524323360913687
Energy: 0.7436222940513859
Energy: 0.7535408680417661
Energy: 0.7437558985618461
Energy: 0.9100053136422186
Energy: 0.7392817504052507
Energy: 0.7398573801304928
Energy: 0.7710787911598281
Energy: 0.7389160255210951
Energy: 0.7396792649161505
Energy: 0.7915635092150796
Energy: 0.7385206521502476
Energy: 0.7274888734648928
Energy: 0.7513317044065217
Energy: 0.7389108377908006
Energy: 0.7527300838640069
Energy: 0.790091065628467
Energy: 0.7424713037936754
Energy: 0.7424247958191743
Energy: 0.7537286644568609
Energy: 0.7426793676984432
Energy: 0.7516383013202731
Energy: 0.8359948747821959
Energy: 0.7254841371200779
Energy: 0.7251972918160288
Energy: 0.7722126810889215
Energy: 0.7247320194033633
Energy: 0.7247141997420904
Energy: 0.7452913861270641
Energy: 0.7213090359271488
Energy: 0.7501336229503632
Energy: 0.7452969729661973
Energy: 0.7406423643601272
Energy: 0.7447698601217545
Energy: 0.7444048118420701
Energy: 0.7466794587544565
Energy: 0.7261429464240649
Energy: 0.7445725699297286
Energy: 0.7457860013822972
Energy: 0.7443372729577379
Energy: 0.8405420023840267
Energy: 0.7401744657499445
Energy: 0.7477955542816845
Energy: 0.8394191536515541
Energy: 0.747033393702025
Energy: 0.7696248619415875
Energy: 0.7901153837971364
Energy: 0.7434731519678092
Energy: 0.7522825834313116
Energy: 0.7540032237190188
Energy: 0.7440488719867137
Energy: 0.7516618546360585
Energy: 0.7928041033704221
Energy: 0.7272459630696251
Energy: 0.7511608367830507
Energy: 0.751809461866905
Energy: 0.7474622122121323
Energy: 0.7530480482936632
Energy: 0.91910708034619
Energy: 0.7441285488296521
Energy: 0.7442846306727247
Energy: 0.7519956467345501
Energy: 0.7440021551176453
Energy: 0.7451904332901362
Energy: 0.8373245081870188
Energy: 0.7450983446512839
Energy: 0.7445296495721088
Energy: 0.7383729679361359
Energy: 0.7611778757588131
Energy: 0.738127200892017
Energy: 0.8406103582594059
Energy: 0.751732829441097
Energy: 0.7533739318924068
Energy: 0.7383139093373934
Energy: 0.7521108692366268
Energy: 0.7437806690758896
Energy: 0.9010232178968821
Energy: 0.7530150884312102
Energy: 0.75222794072548
Energy: 0.7528059079441175
Energy: 0.7526317991229153
Energy: 0.7262930654268908
Energy: 1.0854756405417554
Energy: 0.7535046274614079
Energy: 0.7303817963062811
Energy: 0.7251261666628762
Energy: 0.772514123706477
Energy: 0.7249445517818226
Energy: 0.8371453740585083
Energy: 0.7441071826602667
Energy: 0.7445210576227802
Energy: 0.7402307200435749
Energy: 0.7456827344382421
Energy: 0.7507638501218495
Energy: 0.9046127059092726
Energy: 0.7444298227424709
Energy: 0.744152068282962
Energy: 0.74653305528327
Energy: 0.7444803566974445
Energy: 0.7447919648483947
Energy: 0.9915170501553028
Energy: 0.74725816717951
Energy: 0.7474876869694541
Energy: 0.7399273187170333
Energy: 0.7564283768572273
Energy: 0.7700777244659954
Energy: 0.9042961740820449
Energy: 0.7216315644210564
Energy: 0.7574653907339032
Energy: 0.746808335799913
Energy: 0.7233648697622047
Energy: 0.7510209047243163
Energy: 0.9014622466453942
Energy: 0.7500693515425394
Energy: 0.7521898282612487
Energy: 0.7475694566876766
Energy: 0.7506895885206629
Energy: 0.7522316241859665
Energy: 0.9645325305841154
Energy: 0.7533127025888388
Energy: 0.7441228872918161
Energy: 0.7457657311211956
Energy: 0.7630303795912495
Energy: 0.7450174645616591
Energy: 0.9024393281409038
Energy: 0.738403622015105
Energy: 0.7383624544714222
Energy: 0.7634790932123
Energy: 0.7385993294717261
Energy: 0.7277056520934647
Energy: 0.7911138027745249
Energy: 0.7382946119367787
Energy: 0.7383948731051864
Energy: 0.7538325868902883
Energy: 0.7387120628167155
Energy: 0.7434123627513418
Energy: 0.7930246294187584
Energy: 0.7419446462927346
Energy: 0.7409734766146346
Energy: 0.7516262464269046
Energy: 0.7534459634154329
Energy: 0.7516015892892591
Energy: 0.8381168346336433
Energy: 0.7247750147508761
Energy: 0.725122556024393
Energy: 0.8376499064044893
Energy: 0.7248936378206811
Energy: 0.7307760342325988
Energy: 0.7442831935977712
Energy: 0.7211788122572869
Energy: 0.7475918219829328
Energy: 0.7441432156971362
Energy: 0.7397180632315711
Energy: 0.7508339111474608
Energy: 0.7468879310621488
Energy: 0.7441268793221983
Energy: 0.7094283269256116
Energy: 0.7458854923469438
Energy: 0.7521819336795389
Energy: 0.7439758903943732
Energy: 0.7490429995273968
Energy: 0.7405785431006617
Energy: 0.7396138721062726
Energy: 0.7494162669398432
Energy: 0.7465356286622868
Energy: 0.7671048869030477
Energy: 0.7903127350818695
Energy: 0.7450834789103445
Energy: 0.7435282601526565
Energy: 0.7507566713557597
Energy: 0.7459463243009538
Energy: 0.7516873196586439
Energy: 0.7898257885297997
Energy: 0.7269524013226736
Energy: 0.7513464010370992
Energy: 0.751431546609268
Energy: 0.7470102146740838
Energy: 0.7523233508703849
Energy: 0.7908734419863854
Energy: 0.7462250677445139
Energy: 0.7459250979161317
Energy: 0.7514813836622629
Energy: 0.74485746344236
Energy: 0.7456306716935229
Energy: 0.8415652381098628
Energy: 0.73021302343598
Energy: 0.728315675094432
Energy: 0.7383552350003244
Energy: 0.7284974108002266
Energy: 0.7281820787424895
Energy: 0.8374449227588997
Energy: 0.7507603626795047
Energy: 0.7512834967166866
Energy: 0.7387123781955766
Energy: 0.751437108531417
Energy: 0.7391121680643652
Energy: 0.9000194718318258
Energy: 0.7502481904644792
Energy: 0.7508540686245812
Energy: 0.7492782174082473
Energy: 0.7505660745492287
Energy: 0.7504233847426455
Energy: 1.0848156440800958
Energy: 0.7452493867284025
Energy: 0.7335076120895724
Energy: 0.7252699824357224
Energy: 0.7452179761187347
Energy: 0.7305952536961543

minimum gb energy = 0.7094283269256116 eV
minimum distance =  2.60101828578035 Angstroms
sigma value = 51


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

Energy: 1.0969055530706844
Energy: 0.7358010647043443
Energy: 0.7243570081758955
Energy: 0.713140731193791
Energy: 0.760831988002723
Energy: 0.775522339673684
Energy: 0.9104571899010899
Energy: 0.7599440464671637
Energy: 0.7600820061825776
Energy: 0.7045934981122387
Energy: 0.7594942513375238
Energy: 0.7453936313585934
Energy: 0.9179720989739097
Energy: 0.7592728628911222
Energy: 0.7593402911279542
Energy: 0.7390366327577008
Energy: 0.7593292023957132
Energy: 0.7257434850679495
Energy: 0.9990521438883125
Energy: 0.7267600543468229
Energy: 0.726737570107358
Energy: 0.7492394056318731
Energy: 0.742745152483908
Energy: 0.7489600527791165
Energy: 0.8575724506157097
Energy: 0.7808663787170336
Energy: 0.7701432894432775
Energy: 0.7256244642116849
Energy: 0.7695557232922292
Energy: 0.7582137808359422
Energy: 0.8571955465982494
Energy: 0.7664157527877431
Energy: 0.7653695121668652
Energy: 0.7668278656712743
Energy: 0.7668598859013508
Energy: 0.7704612743671072
Energy: 0.8568319340141787
Energy: 0.7323591581823996
Energy: 0.760887039860167
Energy: 0.7701008822945801
Energy: 0.7701639595219995
Energy: 0.7697957129034559
Energy: 0.8839364112023016
Energy: 0.7304266432687306
Energy: 0.7207681648084379
Energy: 0.7688845877161139
Energy: 0.7307150312314983
Energy: 0.7207993397044571
Energy: 0.7611084313065075
Energy: 0.6935545093291962
Energy: 0.6938360702333959
Energy: 0.7611157608696151
Energy: 0.6518390777758427
Energy: 0.7153074290287414
Energy: 0.761277672374842
Energy: 0.7157693147805848
Energy: 0.716178506468678
Energy: 0.7611628247211948
Energy: 0.6905354415726095
Energy: 0.7607844507166136
Energy: 0.7840085833637347
Energy: 0.7257554518998957
Energy: 0.7252776862242827
Energy: 0.7839616247381982
Energy: 0.7247147185402004
Energy: 0.7561551533410774
Energy: 0.7847735017135894
Energy: 0.7592150531048844
Energy: 0.7571050529552203
Energy: 0.7416675062617224
Energy: 0.723320341442464
Energy: 0.7422914695642261
Energy: 0.7825983020455595
Energy: 0.7427871263633663
Energy: 0.7423391338576747
Energy: 0.7680624284762981
Energy: 0.7366614590376267
Energy: 0.7524424257290826
Energy: 0.7844669413902479
Energy: 0.7358459632174332
Energy: 0.732733758348974
Energy: 0.7687563913079795
Energy: 0.7164276947105092
Energy: 0.7006332636264105
Energy: 0.9031874528826576
Energy: 0.7112619657742126
Energy: 0.7368754805257386
Energy: 0.7485350543918144
Energy: 0.699312136897956
Energy: 0.7374067849927057
Energy: 0.9029192784961081
Energy: 0.7689873125489648
Energy: 0.7529118917417001
Energy: 0.7691302800984222
Energy: 0.7692197292148419
Energy: 0.759407897604964
Energy: 0.9239613475866575
Energy: 0.7705318045482897
Energy: 0.7698192878744726
Energy: 0.6742671618414243
Energy: 0.772075564146221
Energy: 0.7693901987607192
Energy: 1.0956353012948585
Energy: 0.7422214811865785
Energy: 0.7402006521264172
Energy: 0.7273244073719202
Energy: 0.7422493509774666
Energy: 0.7210035832345639

minimum gb energy = 0.6518390777758427 eV
minimum distance =  2.58704094866259 Angstroms
sigma value = 19


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

Energy: 0.9288837647268651
Energy: 0.7182717228404452
Energy: 0.7029464271115058
Energy: 0.7708116638132202
Energy: 0.7252655727908532
Energy: 0.7021213703818207
Energy: 0.6915804179666665
Energy: 0.7221367290252264
Energy: 0.7256393846793393
Energy: 0.7443455256176498
Energy: 0.7228960752305985
Energy: 0.7262894571071624
Energy: 0.8272130682317491
Energy: 0.7275363910774164
Energy: 0.7312315752026278
Energy: 0.7393682079286412
Energy: 0.7246895590020574
Energy: 0.7253048639919233
Energy: 0.8068548737097496
Energy: 0.7293330107493192
Energy: 0.7297247484434689
Energy: 0.7227363529141125
Energy: 0.7101910777756713
Energy: 0.7301825474738374
Energy: 0.7902854260598733
Energy: 0.7274790554727656
Energy: 0.7230537775506509
Energy: 0.7114567181591044
Energy: 0.7264837292177883
Energy: 0.7556164528900708
Energy: 0.8274386086925666
Energy: 0.6943455154976964
Energy: 0.7497359872955219
Energy: 0.7437648714865932
Energy: 0.6939046489421785
Energy: 0.7510014952725244
Energy: 0.8262491080958074
Energy: 0.7573132268203069
Energy: 0.7400347737663814
Energy: 0.7430565686848204
Energy: 0.7135946611259995
Energy: 0.7395598980393338
Energy: 0.8031489780975088
Energy: 0.6697972210125415
Energy: 0.6704587970482446
Energy: 0.8039984464220067
Energy: 0.6696060375629026
Energy: 0.6808057015384021
Energy: 0.7192952739957387
Energy: 0.6692172971051226
Energy: 0.6689209373941626
Energy: 0.7211477462907717
Energy: 0.6693870618948832
Energy: 0.6814792763345964
Energy: 0.726844781894573
Energy: 0.7312216489957201
Energy: 0.7237957284071503
Energy: 0.7270531093341791
Energy: 0.7396406915264139
Energy: 0.723966917159482
Energy: 0.7217414273925046
Energy: 0.7190069452319597
Energy: 0.7452967497460841
Energy: 0.7219401252273507
Energy: 0.7173593394468855
Energy: 0.7208071374700031
Energy: 0.829063221917354
Energy: 0.7548874604971398
Energy: 0.7538627192996248
Energy: 0.7275256874940443
Energy: 0.7422537937005753
Energy: 0.723478655455876
Energy: 0.6925726521139399
Energy: 0.7378091787314625
Energy: 0.7376825662193944
Energy: 0.6921562094656242
Energy: 0.7381664409512381
Energy: 0.7378871160851407
Energy: 0.8314493377538507
Energy: 0.7420396047475492
Energy: 0.7422597194156139
Energy: 0.7238233740273463
Energy: 0.7410386682304339
Energy: 0.7425143988102135
Energy: 0.9324693548293512
Energy: 0.7299236532901242
Energy: 0.7124753772226984
Energy: 0.6698005761900245
Energy: 0.7214419555348516
Energy: 0.6892756197390176
Energy: 0.9318131300224965
Energy: 0.7259819183938369
Energy: 0.6812852560358538
Energy: 0.6689521153808943
Energy: 0.7253848736665565
Energy: 0.6698315334424808
Energy: 0.7928387270195646
Energy: 0.729293803501403
Energy: 0.7300354660916057
Energy: 0.7180803040929303
Energy: 0.7286624759302572
Energy: 0.725409139031606
Energy: 0.806804928591332
Energy: 0.7294141796274622
Energy: 0.7296960546903662
Energy: 0.718698120203576
Energy: 0.7268554243321608
Energy: 0.7239881107898475
Energy: 0.806942819252905
Energy: 0.7286246861193173
Energy: 0.7292373822085616
Energy: 0.7233090695190996
Energy: 0.7289923572653414
Energy: 0.7240690732648738
Energy: 0.802756441013197
Energy: 0.6937537359402455
Energy: 0.7567747299581483
Energy: 0.7496604684326212
Energy: 0.6933125434224706
Energy: 0.7502237741196488
Energy: 0.8248219653287893
Energy: 0.7361841863567901
Energy: 0.7499392553381937
Energy: 0.7607966765011787
Energy: 0.7218265962593742
Energy: 0.7455945767119618
Energy: 0.8268405658023076
Energy: 0.7522528374325163
Energy: 0.7423230161942423
Energy: 0.7234295971367881
Energy: 0.7003885136792941
Energy: 0.7429547939253267
Energy: 0.7905845611574808
Energy: 0.6691059535894834
Energy: 0.6687199614147418
Energy: 0.790235568830699
Energy: 0.669088649558164
Energy: 0.7045709288040214
Energy: 0.7231568554756868
Energy: 0.7225800942423207
Energy: 0.7307357209269276
Energy: 0.7236526076145158
Energy: 0.7074516807905711
Energy: 0.7263740984239544
Energy: 0.7242330320847177
Energy: 0.6935546805497166
Energy: 0.7241721276088827
Energy: 0.7240703753995255
Energy: 0.7388046092645221
Energy: 0.7262209278718177
Energy: 0.8039212117943285
Energy: 0.723134311834607
Energy: 0.7309417996140828
Energy: 0.803937772302325
Energy: 0.7240280486080135
Energy: 0.7303154276042115
Energy: 0.8253815797151738
Energy: 0.7584068616958294
Energy: 0.7539831763435313
Energy: 0.7307633188193895
Energy: 0.7379519975763191
Energy: 0.7537660033529314
Energy: 0.6935239284777266
Energy: 0.7388446343460203
Energy: 0.7383491107162277
Energy: 0.6935913414148229
Energy: 0.7408578475281848
Energy: 0.7465061884321579
Energy: 0.7912080393772035
Energy: 0.7417976403912335
Energy: 0.7403543112642905
Energy: 0.7290993848848378
Energy: 0.7424417402355459
Energy: 0.7394980596559152
Energy: 0.9321107883931514
Energy: 0.70779160813724
Energy: 0.6816371846335404
Energy: 0.6697147188022365
Energy: 0.7066555875852318
Energy: 0.6704363384247849

minimum gb energy = 0.6687199614147418 eV
minimum distance =  2.63277749827257 Angstroms
sigma value = 27


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

Energy: 0.8127142021482547
Energy: 0.8149837768954318
Energy: 0.8591266137157908
Energy: 0.6252178580731298
Energy: 0.7096624935035394
Energy: 0.8603706967344003
Energy: 0.732293692768265
Energy: 0.7078122610192711
Energy: 0.7077344882911655
Energy: 0.686245979872728
Energy: 0.708260563196851
Energy: 0.668190311229758
Energy: 0.7428288660413556
Energy: 0.7076832694906917
Energy: 0.7078559087193503
Energy: 0.6609995138185849
Energy: 0.7050421541665601
Energy: 0.6600098576278702
Energy: 0.7414413476108197
Energy: 0.6743466509594588
Energy: 0.6427616133280193
Energy: 0.6596105424133798
Energy: 0.7753975007886418
Energy: 0.6420694665492912
Energy: 0.8160933095542934
Energy: 0.6391608839090901
Energy: 0.6417183767666852
Energy: 0.7152009125859463
Energy: 0.7272380740137676
Energy: 0.6413384464496814
Energy: 0.7072996738762022
Energy: 0.6041775691461186
Energy: 0.6288474422014934
Energy: 0.7069783881758579
Energy: 0.6057509393598208
Energy: 0.6226123207728681
Energy: 0.7071898170469095
Energy: 0.6592067897750058
Energy: 0.6586522343443826
Energy: 0.7070496259727486
Energy: 0.6882188391514537
Energy: 0.6734682574506757
Energy: 0.7060051610025933
Energy: 0.7390449421892815
Energy: 0.7447233748506087
Energy: 0.7056888535994201
Energy: 0.6579342788552511
Energy: 0.7379838416995328
Energy: 0.7438565122535223
Energy: 0.6594701003583429
Energy: 0.6440012814823501
Energy: 0.7021827975870989
Energy: 0.6853971152928596
Energy: 0.6589943530739757
Energy: 0.745412481159235
Energy: 0.6588606134608873
Energy: 0.6580346373525581
Energy: 0.7022677640724889
Energy: 0.6891026617326755
Energy: 0.6725147329617368
Energy: 0.7435355511913373
Energy: 0.705314401445176
Energy: 0.6729083900833897
Energy: 0.6919733018587289
Energy: 0.7069007655513823
Energy: 0.6599549590001058
Energy: 0.7441619355974095
Energy: 0.6720161342764631
Energy: 0.6725087282509151
Energy: 0.6932976432655888
Energy: 0.7085830789778106
Energy: 0.6683963529836885

minimum gb energy = 0.6041775691461186 eV
minimum distance =  2.60134335018053 Angstroms
sigma value = 9


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

Energy: 1.1195582528363892
Energy: 0.7259808510560352
Energy: 0.8163747639062958
Energy: 0.7689923652422226
Energy: 0.6230409403651513
Energy: 0.684941807157168
Energy: 0.5890107958706854
Energy: 0.6195718772336269
Energy: 0.6197186051746332
Energy: 0.6019691421149833
Energy: 0.619399354769756
Energy: 0.5935199232570119
Energy: 0.6344425591603007
Energy: 0.6172936490275439
Energy: 0.6169983027860745
Energy: 0.600152480127827
Energy: 0.616813172093057
Energy: 0.6034780995127494
Energy: 0.789964905048938
Energy: 0.5858387170134949
Energy: 0.5865642171210956
Energy: 0.600280689643808
Energy: 0.6115458678677743
Energy: 0.5876129024465729
Energy: 0.6730250005591658
Energy: 0.599539265037284
Energy: 0.5574063113337046
Energy: 0.6257289557183218
Energy: 0.5990959258733176
Energy: 0.6083305005581444
Energy: 0.6286456151433433
Energy: 0.6027889015107304
Energy: 0.5792595110492277
Energy: 0.6291007266908856
Energy: 0.5809005887518545
Energy: 0.6067309958983605
Energy: 0.6343717709219804
Energy: 0.5751500249468587
Energy: 0.5747997986536693
Energy: 0.6355972555628588
Energy: 0.597829659674654
Energy: 0.6441242538617504
Energy: 0.6166368157546493
Energy: 0.6172671178050076
Energy: 0.5846538458288825
Energy: 0.6167785757949222
Energy: 0.6081810427047233
Energy: 0.622788364944484
Energy: 0.6199596540058256
Energy: 0.5987429004354683
Energy: 0.6134920561454257
Energy: 0.6287911138451423
Energy: 0.5996706521763159
Energy: 0.6229456507910596
Energy: 0.8980822295618014
Energy: 0.6124693736036063
Energy: 0.6056749093216619
Energy: 0.5844325324994903
Energy: 0.6655781111853092
Energy: 0.6036195567268258
Energy: 0.588076369134204
Energy: 0.6370750232606058
Energy: 0.6404041943083946
Energy: 0.5842645361019096
Energy: 0.6369342634225755
Energy: 0.5640231297881698
Energy: 0.6914796691915367
Energy: 0.6367649192022297
Energy: 0.6361438810701072
Energy: 0.5882425905943401
Energy: 0.6363824006831373
Energy: 0.5647121585512833
Energy: 1.006268471551901
Energy: 0.6337983484204003
Energy: 0.6142154442514295
Energy: 0.6100406875929232
Energy: 0.6340609714571618
Energy: 0.6435850264529017
Energy: 0.6912799514591637
Energy: 0.6254714313615741
Energy: 0.6069739682134414
Energy: 0.5886188076937178
Energy: 0.635742293835806
Energy: 0.5750991434211253
Energy: 0.6152847170815309
Energy: 0.6243243701750111
Energy: 0.6246119563358521
Energy: 0.6155389298888343
Energy: 0.6259197444488132
Energy: 0.6256459177069381
Energy: 0.6181975509448191
Energy: 0.6002076546320666
Energy: 0.5972676205258977
Energy: 0.6191457572637249
Energy: 0.6203740053498926
Energy: 0.6115361908636527
Energy: 0.6183364562947036
Energy: 0.5728669552831552
Energy: 0.5619012331789475
Energy: 0.6181692972206261
Energy: 0.5854935683645213
Energy: 0.5995216782380748
Energy: 0.6367145824252921
Energy: 0.613923698181627
Energy: 0.5925390279208076
Energy: 0.6183565739037366
Energy: 0.6090008157788722
Energy: 0.6077896349219439
Energy: 0.6337545357758648
Energy: 0.5967122911304336
Energy: 0.6070786762277333
Energy: 0.6202184485564524
Energy: 0.5991792144992646
Energy: 0.5943454474748682
Energy: 0.6335474168562549
Energy: 0.6061454435894705
Energy: 0.5949143683728695
Energy: 0.6052868030797226
Energy: 0.6048698096111182
Energy: 0.5910864611000274
Energy: 0.6346975433913862
Energy: 0.619997328001141
Energy: 0.6046671271034305
Energy: 0.6126724657009904
Energy: 0.6200443422748866
Energy: 0.590193051691818
Energy: 0.6774626818653076
Energy: 0.6066587448473114
Energy: 0.6369969008393785
Energy: 0.6003081394988905
Energy: 0.6195212682155846
Energy: 0.5760609256086748
Energy: 0.6704300454892818
Energy: 0.6199326570853774
Energy: 0.6295032749201304
Energy: 0.6009089386486616
Energy: 0.6201591598688658
Energy: 0.5884749682089168
Energy: 0.6345700489327237
Energy: 0.6176577903651498
Energy: 0.6177779350134902
Energy: 0.627166815911935
Energy: 0.6169348232545878
Energy: 0.6156329314786956
Energy: 0.7846474984561764
Energy: 0.5853437043009136
Energy: 0.6253959075693337
Energy: 0.6268419555121149
Energy: 0.6152496222319371
Energy: 0.6284386037604688
Energy: 0.6344359790694611
Energy: 0.5877225912619216
Energy: 0.575558867290508
Energy: 0.6366368856733657
Energy: 0.5883222194724705
Energy: 0.6145606184135842
Energy: 0.8024009868901075
Energy: 0.6509952870935716
Energy: 0.6205520140040368
Energy: 0.801403094868481
Energy: 0.6508171047463269
Energy: 0.6106348048863385
Energy: 0.6370174593083964
Energy: 0.5752685991690498
Energy: 0.5759964137415543
Energy: 0.6369312774172958
Energy: 0.587652110311177
Energy: 0.6348999208383872
Energy: 0.6359969176560865
Energy: 0.5909298002191902
Energy: 0.5638394355897768
Energy: 0.6361230903778514
Energy: 0.5992185923032053
Energy: 0.6389979490804694
Energy: 0.6051423058732969
Energy: 0.620446543837092
Energy: 0.5847500680103365
Energy: 0.6160289678611924
Energy: 0.6078533641558523
Energy: 0.5977826963067104
Energy: 0.5880436639099731
Energy: 0.6128343937645234
Energy: 0.639527287977224
Energy: 0.5834606181309013
Energy: 0.6138221886169751
Energy: 0.6165372629106024
Energy: 0.8964992081491837
Energy: 0.61803245248051
Energy: 0.5980561217031217
Energy: 0.577640989458278
Energy: 0.6180099125418969
Energy: 0.6036940856286366
Energy: 0.638549431976589
Energy: 0.6356974516355836
Energy: 0.6355891928371793
Energy: 0.6288337989513283
Energy: 0.6364964069464066
Energy: 0.6200216267279004
Energy: 0.7865229181018992
Energy: 0.6306134396540133
Energy: 0.6330328844863021
Energy: 0.5972601320628206
Energy: 0.6299818341313645
Energy: 0.6105664372942098
Energy: 0.6303215761693104
Energy: 0.6251133984190845
Energy: 0.6104471224038902
Energy: 0.5974424538587052
Energy: 0.6252809967318829
Energy: 0.5639877424146713
Energy: 0.6178383853598682
Energy: 0.6139596397056496
Energy: 0.5752497920857202
Energy: 0.6289879653152778
Energy: 0.6135426781277441
Energy: 0.5865158880137664
Energy: 0.6163584416362098
Energy: 0.6014120773679249
Energy: 0.602790776780596
Energy: 0.6164151332526341
Energy: 0.6018020628706375
Energy: 0.6125021350726179
Energy: 0.6190765273284431
Energy: 0.6009678865935739
Energy: 0.5949900925129796
Energy: 0.6190312279729113
Energy: 0.6025025212854851
Energy: 0.6077758595159664
Energy: 0.6182256676360136
Energy: 0.6727020545010038
Energy: 0.6728333596389003
Energy: 0.6190665655849219
Energy: 0.6728467854874018
Energy: 0.6000588112959698
Energy: 0.6339881480457293
Energy: 0.5993858149076491
Energy: 0.5946901868581419
Energy: 0.6187047326277808
Energy: 0.6036968214997345
Energy: 0.5889596154641843
Energy: 0.633360024724544
Energy: 0.5932824133611686
Energy: 0.5941617134732056
Energy: 0.6095096743863719
Energy: 0.6076929902822861
Energy: 0.6134287235272516
Energy: 0.6344850842931617
Energy: 0.6070106636000847
Energy: 0.6119548732732005
Energy: 0.6182409480061445
Energy: 0.6074848302516255
Energy: 0.592008911550085
Energy: 0.6708569549035975
Energy: 0.6193255318341896
Energy: 0.589136792600266
Energy: 0.6011218318941637
Energy: 0.6198324284050376
Energy: 0.5637912745860516

minimum gb energy = 0.5574063113337046 eV
minimum distance =  2.57109630874033 Angstroms
sigma value = 57


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

Energy: 0.5265036373427576
Energy: 0.4853397343012452
Energy: 0.4850245857672893
Energy: 0.5272403117070883
Energy: 0.5675614901028067
Energy: 0.520979084036184
Energy: 0.5275322470066124
Energy: 0.31528852003968894
Energy: 0.5949018079469693
Energy: 0.5695208788462061
Energy: 0.3621798393958019
Energy: 0.5845088463939779
Energy: 0.6533919473194091
Energy: 0.6111375829724995
Energy: 0.5779049180591505
Energy: 0.6004734598183555
Energy: 0.6110225078985193
Energy: 0.5995473624770796
Energy: 0.34252482866301975
Energy: 0.3597668516554597
Energy: 0.28000338948547165
Energy: 0.3285199633957078
Energy: 0.30235485425674646
Energy: 0.28061443566965694
Energy: 0.3672937229265475
Energy: 0.4011002495861627
Energy: 0.4027936880029259
Energy: 0.3920563550551381
Energy: 0.3984548296701828
Energy: 0.2716956646463577
Energy: 0.3682648066802604
Energy: 0.39995922339520834
Energy: 0.39969763561595595
Energy: 0.3299618704833386
Energy: 0.3983326333155214
Energy: 0.3752568173503392
Energy: 0.3699143505889523
Energy: 0.3182749175388157
Energy: 0.27231056110538976
Energy: 0.3168890471179831
Energy: 0.3224731193455945
Energy: 0.29733984255795165
Energy: 0.37237374774803444
Energy: 0.2990719981914123
Energy: 0.2807058804011919
Energy: 0.28018744255580585
Energy: 0.2725995288474599
Energy: 0.2817247473110789
Energy: 0.2714305449964397
Energy: 0.27252709791282786
Energy: 0.27317177390323155
Energy: 0.27250487279041635
Energy: 0.27187324159045484
Energy: 0.29887244841721733
Energy: 0.27134835891920206
Energy: 0.2798900656892632
Energy: 0.2964904489855337
Energy: 0.2712846726099272
Energy: 0.30934656197150795
Energy: 0.27238729544730694
Energy: 0.2712328222230578
Energy: 0.27184437226065344
Energy: 0.271813262353303
Energy: 0.2712535480100812
Energy: 0.2740625557225209
Energy: 0.2721276778739643
Energy: 0.2715583115608222
Energy: 0.2725213725941856
Energy: 0.2973458101258885
Energy: 0.2798359079997054
Energy: 0.27189796764466145
Energy: 0.27248589687713737
Energy: 0.3781974647344822
Energy: 0.2796570803408246
Energy: 0.2803448217046313
Energy: 0.28013431251228715
Energy: 0.279728075902236
Energy: 0.3121836322987644
Energy: 0.3739718769178797
Energy: 0.3246215562245085
Energy: 0.281215274903283
Energy: 0.33669306683116473
Energy: 0.32292143764649334
Energy: 0.29767219097507147
Energy: 0.3736677052158525
Energy: 0.4040488748583698
Energy: 0.3982496182272189
Energy: 0.3927768880781009
Energy: 0.401057878750842
Energy: 0.4043185470684095
Energy: 0.3409050778085979
Energy: 0.29609248807052024
Energy: 0.2723113617749748
Energy: 0.33045615104289383
Energy: 0.3986443230857742
Energy: 0.2979052468054138
Energy: 0.6432471247912717
Energy: 0.5739189636474602
Energy: 0.574700833103864
Energy: 0.591702914741998
Energy: 0.6070260868909002
Energy: 0.576460126380212
Energy: 0.6528476944190006
Energy: 0.3166145999188509
Energy: 0.3497694835423902
Energy: 0.3241971601943438
Energy: 0.3163683883324489
Energy: 0.5788294312959827
Energy: 0.5275371660541619
Energy: 0.3190130631451012
Energy: 0.27182845346218604
Energy: 0.5270981263475087
Energy: 0.3644186612073938
Energy: 0.298159191977366

minimum gb energy = 0.2712328222230578 eV
minimum distance =  2.60870145090452 Angstroms
sigma value = 11


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

Energy: 0.9052778828432613
Energy: 0.4702572802658391
Energy: 0.6547039356113569
Energy: 0.719991300613265
Energy: 0.4605124543188894
Energy: 0.5163176017916881
Energy: 0.47513616828100813
Energy: 0.46331023185267434
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Energy: 0.4736995655315605
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Energy: 0.45999160499367747
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Energy: 0.55757600069184
Energy: 0.654969295353659
Energy: 0.6550075827858318
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Energy: 0.5171923497272963
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Energy: 0.5449678289323578
Energy: 0.5599304794199286
Energy: 0.488200949992132
Energy: 0.5582126724226845
Energy: 0.5615766736475711
Energy: 0.6542194096864794
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Energy: 0.49344049045612004
Energy: 0.6379993455241312
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Energy: 0.495627167893849
Energy: 0.891538171562823
Energy: 0.5147229545684147
Energy: 0.5167715894610564
Energy: 0.48589619705740444
Energy: 0.513606445712164
Energy: 0.5635541318464917
Energy: 0.7104244532903591
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Energy: 0.48888755409183743
Energy: 0.4701736287906875
Energy: 0.4912949931360069
Energy: 0.5281417010104619
Energy: 0.5651582788208801
Energy: 0.5388687187842397
Energy: 0.5421341287881963
Energy: 0.5616546604120183
Energy: 0.6561303266152249
Energy: 0.5467177810757756
Energy: 0.7072937679357407
Energy: 0.528474386110066
Energy: 0.5130508437210223
Energy: 0.5276983356207792
Energy: 0.5639858202779423
Energy: 0.5048980195929031
Energy: 0.5854284868515149
Energy: 0.7194270836140435
Energy: 0.6933389399423672
Energy: 0.5854957768718738
Energy: 0.7182996060148459
Energy: 0.5398539462652676
Energy: 0.4676332774277451
Energy: 0.4890976406024446
Energy: 0.5138760037764883
Energy: 0.4682539790470102
Energy: 0.49198900747169455
Energy: 0.5051226553613848
Energy: 0.5317594952445412
Energy: 0.5533926908822573
Energy: 0.525459957876264
Energy: 0.5314413292390631
Energy: 0.5609821552121487
Energy: 0.5238010623907419
Energy: 0.5179070098364602
Energy: 0.4618614148912921
Energy: 0.4629713397435542
Energy: 0.5189189694874685
Energy: 0.471668905071654
Energy: 0.5189145115268807
Energy: 0.5373216565706573
Energy: 0.5011019933683737
Energy: 0.47501418464117684
Energy: 0.6349712432901861
Energy: 0.4803098411821603
Energy: 0.4720620071292773

minimum gb energy = 0.44897502666411815 eV
minimum distance =  2.59447155310745 Angstroms
sigma value = 41


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

Energy: 0.9430723088123518
Energy: 0.6096636782412959
Energy: 0.5164576628670619
Energy: 0.7016759807601807
Energy: 0.495211781255965
Energy: 0.735398183990877
Energy: 0.555901847438705
Energy: 0.4979783268605301
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Energy: 0.5828176335539758
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Energy: 0.5714265903995355
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Energy: 0.6668088688680777
Energy: 0.5563533374194573
Energy: 0.6373871332730296
Energy: 0.6092107047182038
Energy: 0.5973312655608077
Energy: 0.5952351713951073
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Energy: 0.5962142465377507
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Energy: 0.813192055076163
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Energy: 0.5765258028291532
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Energy: 0.5801945707111441
Energy: 0.5763987968096084
Energy: 0.5763426723077058
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Energy: 0.6004161437222372
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Energy: 0.6179728591423781
Energy: 0.6178571015112206
Energy: 0.7251858518183798
Energy: 0.6173967096463285
Energy: 0.6177730969113713
Energy: 0.7256694036792538
Energy: 0.5704898150796159
Energy: 0.5671397497481272
Energy: 0.5862659751450079
Energy: 0.5749132375065283
Energy: 0.567520666746802
Energy: 0.5664362412279954
Energy: 0.6621292390356082
Energy: 0.6564135968380953
Energy: 0.5692007737029792
Energy: 0.6622445403869329
Energy: 0.5496083865372501
Energy: 0.630105354517234
Energy: 0.6230707982566375
Energy: 0.5678164311780519
Energy: 0.5996769389286214
Energy: 0.6227903868932402
Energy: 0.5679040499013428
Energy: 0.7052626970828056
Energy: 0.5980145377085488
Energy: 0.6203937534535575
Energy: 0.6231398261902915
Energy: 0.605755366951212
Energy: 0.595006176645257
Energy: 0.7049676346318321
Energy: 0.6167073914015577
Energy: 0.5748696400694738
Energy: 0.6402048641373209
Energy: 0.6264586413455883
Energy: 0.6083681663101169
Energy: 0.7220899628644949
Energy: 0.5412005958473044
Energy: 0.5968407180523433
Energy: 0.6092964935647769
Energy: 0.5430779548243361
Energy: 0.5875152285057511
Energy: 0.6545968666888097
Energy: 0.736373286407421
Energy: 0.7366474950798966
Energy: 0.6147763040514789
Energy: 0.7317056487584134
Energy: 0.7364974732048316
Energy: 0.5786617180619948
Energy: 0.5268556674085602
Energy: 0.5890922231837833
Energy: 0.5834487078783667
Energy: 0.53736710333378
Energy: 0.6119426215855733
Energy: 0.6709448376769998
Energy: 0.6635264398811567
Energy: 0.6746779421978186
Energy: 0.6765518943318733
Energy: 0.6548560325493265
Energy: 0.6708066987922199
Energy: 0.6557379804862674
Energy: 0.5680611567681157
Energy: 0.5141442615009933
Energy: 0.5249961635827445
Energy: 0.49853448948035445
Energy: 0.594993420491325
Energy: 0.8449919873636549
Energy: 0.5394315992037942
Energy: 0.5208117613856931
Energy: 0.6934270230662072
Energy: 0.49665679107306604
Energy: 0.5630645923657922

minimum gb energy = 0.4817185654003454 eV
minimum distance =  2.55760582270811 Angstroms
sigma value = 33


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

Energy: 0.7000711029525801
Energy: 0.840357615164268
Energy: 0.8402614059233697
Energy: 0.7006072785685565
Energy: 0.5989929981362444
Energy: 0.839983678759637
Energy: 0.5923666094717571
Energy: 0.550051232236883
Energy: 0.5483870971726075
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Energy: 0.54820471614731
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Energy: 0.5702611372988823
Energy: 0.5466079572432652
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Energy: 0.5793199351753816
Energy: 0.5304876710543927
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Energy: 0.5312979266630616
Energy: 0.5853827975537471
Energy: 0.680115439639889
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Energy: 0.6780393601328576
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Energy: 0.5524865707252686
Energy: 0.5572998398780863
Energy: 0.5506634922666998
Energy: 0.9662865826537742
Energy: 0.5444732387888386
Energy: 0.527870513028649
Energy: 0.5263734372397145
Energy: 0.7088201493563152
Energy: 0.5275570588927967

minimum gb energy = 0.5246552908796308 eV
minimum distance =  2.59290550410965 Angstroms
sigma value = 67


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

Energy: 0.8302090352717549
Energy: 0.5790133733453142
Energy: 0.5790584907619392
Energy: 0.5765599472818722
Energy: 0.6229376116261077
Energy: 0.5778839018634081
Energy: 0.6422000618977858
Energy: 0.5732980222071747
Energy: 0.572152312057847
Energy: 0.5871519480578259
Energy: 0.5881723861743299
Energy: 0.5731224525984935
Energy: 0.6047755309882937
Energy: 0.5319543285488659
Energy: 0.5759202258972593
Energy: 0.5888589663621869
Energy: 0.5307133180658054
Energy: 0.5759391089670388
Energy: 0.6037545647277213
Energy: 0.5822026611957515
Energy: 0.5783523012455928
Energy: 0.5844534083843719
Energy: 0.5756469821849945
Energy: 0.5876951266741367
Energy: 0.6138691716733712
Energy: 0.5886027366157635
Energy: 0.5889080428264896
Energy: 0.6143622626121147
Energy: 0.5884224906122626
Energy: 0.5893387400862254
Energy: 0.612060241714211
Energy: 0.557293949152024
Energy: 0.5897426878247225
Energy: 0.6121620478755374
Energy: 0.5579544937713585
Energy: 0.5910182543672475
Energy: 0.6428959996650815
Energy: 0.58855092121407
Energy: 0.5885275205266057
Energy: 0.5565641395720446
Energy: 0.5857640617383478
Energy: 0.5878717274661308

minimum gb energy = 0.5307133180658054 eV
minimum distance =  2.62423375036237 Angstroms
sigma value = 3


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

Energy: 1.059467119945139
Energy: 0.7246539150264897
Energy: 0.6627315735564036
Energy: 0.6247912335545215
Energy: 0.7604104631392467
Energy: 0.6549540358613126
Energy: 0.6129699120894831
Energy: 0.6606413133096225
Energy: 0.6156250538645385
Energy: 0.6537883685650006
Energy: 0.6203209982315881
Energy: 0.6162770170342635
Energy: 0.6202069963888519
Energy: 0.6155111399594204
Energy: 0.6146081284599103
Energy: 0.620188132357061
Energy: 0.615340459482144
Energy: 0.6173435636236569
Energy: 0.6163629203867478
Energy: 0.615817537755373
Energy: 0.615613661888097
Energy: 0.6174388993174755
Energy: 0.6138319431957745
Energy: 0.6156670026330006
Energy: 0.6150189773702419
Energy: 0.6167956563351693
Energy: 0.6173313148699806
Energy: 0.6154484087058424
Energy: 0.6186091175091978
Energy: 0.6170849105900377
Energy: 0.6169854405175291
Energy: 0.6167123804135075
Energy: 0.6173205318683455
Energy: 0.6664835570912414
Energy: 0.61721724671032
Energy: 0.6177466027995197
Energy: 0.6155480969780643
Energy: 0.6593757179383307
Energy: 0.657216271381746
Energy: 0.6627338012125774
Energy: 0.7080423529797357
Energy: 0.6552954822923529
Energy: 0.9951117909290225
Energy: 0.6963171811804338
Energy: 0.6472339559585316
Energy: 0.6172573425989516
Energy: 0.7033850094159309
Energy: 0.6401423582402808
Energy: 0.617932485224017
Energy: 0.6169479844129956
Energy: 0.6649494673799303
Energy: 0.629063763903563
Energy: 0.6351401336147062
Energy: 0.631832152529137
Energy: 0.7982519226360714
Energy: 0.6144750614204103
Energy: 0.6144584311571559
Energy: 0.7403480694650436
Energy: 0.614765006689771
Energy: 0.6637208813859067
Energy: 0.6509654605978211
Energy: 0.6528980719566388
Energy: 0.6161380331304075
Energy: 0.6516711310776517
Energy: 0.6167754989396759
Energy: 0.6586662776038092
Energy: 0.6483299737505074
Energy: 0.6184618962646969
Energy: 0.6174531115608364
Energy: 0.6556183395651249
Energy: 0.6447555315630019
Energy: 0.6178654868743881
Energy: 0.6579219792761141
Energy: 0.6173181105174932
Energy: 0.6177627488381585
Energy: 0.6787188703000323
Energy: 0.6165285390278848
Energy: 0.6180246224717789
Energy: 0.6996015203171041
Energy: 0.6156773193426232
Energy: 0.6157366933015771
Energy: 0.6308117735198048
Energy: 0.6165204293948989
Energy: 0.6152586638084322
Energy: 0.649259470706836
Energy: 0.620735737007007
Energy: 0.6972359434174262
Energy: 0.664923290649479
Energy: 0.617710827579071
Energy: 0.6178306458797949
Energy: 0.7209679111885425
Energy: 0.6167477641192539
Energy: 0.6156691798200107
Energy: 0.6701554421804425
Energy: 0.6188623683451633
Energy: 0.6154340695232198
Energy: 0.8115165075586636
Energy: 0.6375418942589849
Energy: 0.6390610479828681
Energy: 0.8112060759428315
Energy: 0.650991998762325
Energy: 0.6976318769093206
Energy: 0.7043118679769264
Energy: 0.6658472976251297
Energy: 0.619831787016015
Energy: 0.6671311580565594
Energy: 0.6186757014698886
Energy: 0.6405040798164124
Energy: 0.7014554053280054
Energy: 0.6171581098214711
Energy: 0.6160800807761192
Energy: 0.6142957473022547
Energy: 0.6330049844197038
Energy: 0.6146208647306871
Energy: 0.6375750784678375
Energy: 0.6410551414027742
Energy: 0.6476018443823934
Energy: 0.6142373500548456
Energy: 0.6403633463576045
Energy: 0.6144020619931658
Energy: 0.6388015196094654
Energy: 0.6441855792441786
Energy: 0.6355001894778614
Energy: 0.6539265638714249
Energy: 0.6439349653318612
Energy: 0.6381959620364667
Energy: 0.6384824195065895
Energy: 0.6938178430599776
Energy: 0.6333616740270454
Energy: 0.6477518489902493
Energy: 0.7212213944591013
Energy: 0.6337850361532787
Energy: 0.6450575237037338
Energy: 0.6345845967882515
Energy: 0.6364059504900343
Energy: 0.6457187689649018
Energy: 0.6530255616723282
Energy: 0.6567963231501194
Energy: 0.6402443515011765
Energy: 0.6178982467006198
Energy: 0.6178577562413471
Energy: 0.6408932011488181
Energy: 0.6181230254346929
Energy: 0.6394627931539439
Energy: 0.6186952382508656
Energy: 0.6355049659928063
Energy: 0.6165081656461245
Energy: 0.6616755333290469
Energy: 0.6411972271223338
Energy: 0.6154372948740461
Energy: 0.7508607318059325
Energy: 0.6667785958110645
Energy: 0.6606150636928817
Energy: 0.6175568590593866
Energy: 0.6852791555309836
Energy: 0.6745815107174427
Energy: 0.6150267686928281
Energy: 0.6670394642487437
Energy: 0.6433107597044598
Energy: 0.6299218626501449
Energy: 0.6844233849970184
Energy: 0.648677161277694
Energy: 0.6198813794951742
Energy: 0.6161683584559182
Energy: 0.6155357550588711
Energy: 0.6369915782779656
Energy: 0.6631955806597413
Energy: 0.6152980726673134
Energy: 0.6179723074498357
Energy: 0.6163130038331882
Energy: 0.6159461222930505
Energy: 0.6179765774235013
Energy: 0.6159174265571873
Energy: 0.6189373168749857
Energy: 0.6176128369343509
Energy: 0.6155073360270159
Energy: 0.6154695064942778
Energy: 0.6168692854343307
Energy: 0.6540922563550966
Energy: 0.6162648580235083
Energy: 0.6165338538314484
Energy: 0.6555657913423976
Energy: 0.6209543764549158
Energy: 0.6166557381323311
Energy: 0.6199115750585322
Energy: 0.6195039669948744
Energy: 0.6234714561955202
Energy: 0.6606034126440256
Energy: 0.633299424160448
Energy: 0.6522726239257086
Energy: 0.6495126109875641
Energy: 0.6161908452045171
Energy: 0.7075705937054756
Energy: 0.6794256137460104
Energy: 0.6763473887533517
Energy: 0.6157288649132993
Energy: 0.6977272027419886
Energy: 0.6386202223738674
Energy: 0.6590629857799813
Energy: 0.6181170511376546
Energy: 0.6711950694826633
Energy: 0.6367901341965687
Energy: 0.6650858463611349
Energy: 0.6364065055131913
Energy: 0.6155004905626232
Energy: 0.6608846044868719
Energy: 0.6143003460620268
Energy: 0.6814901349819785
Energy: 0.6190039074627789
Energy: 0.6177044061931689
Energy: 0.6950208404941112
Energy: 0.6145256931030031
Energy: 0.6145925632206549
Energy: 0.6957530212811974
Energy: 0.6146747533058937
Energy: 0.6578466884945635
Energy: 0.700558293693625
Energy: 0.6160818325149763
Energy: 0.6167116923039117
Energy: 0.7003899220254846
Energy: 0.6301772009414458
Energy: 0.634167365508459
Energy: 0.6595559572812256
Energy: 0.6184815731651531
Energy: 0.6178621411721757
Energy: 0.6384106170412227
Energy: 0.6179098627444124
Energy: 0.6545901805549572
Energy: 0.7005508071017407
Energy: 0.6165656890978087
Energy: 0.616757804905857
Energy: 0.6502490302080347
Energy: 0.6198396559403094
Energy: 0.6160769549805056
Energy: 0.6476432567864582
Energy: 0.6173944554088439
Energy: 0.6175287430973011
Energy: 0.664193422558553
Energy: 0.6170092262200813
Energy: 0.6176707773175713
Energy: 0.7157296321081431
Energy: 0.6167916306525508
Energy: 0.6155372484671289
Energy: 0.6311865080839584
Energy: 0.6185434411371866
Energy: 0.6157832052928962
Energy: 0.804632692263675
Energy: 0.6705186394835725
Energy: 0.6343052060040589
Energy: 0.760929610099643
Energy: 0.632818285055866
Energy: 0.6161471872301859
Energy: 0.8314982800314257
Energy: 0.6497468410840291
Energy: 0.6382107836095062
Energy: 0.8170409587169629
Energy: 0.6151936071789036
Energy: 0.6780409729936496
Energy: 0.6652152214309045
Energy: 0.6162802374035301
Energy: 0.6152595365510548
Energy: 0.6307420782393925
Energy: 0.6179242349642378
Energy: 0.6162672658642382
Energy: 0.9344513282965415
Energy: 0.643281493252919
Energy: 0.6176404823254525
Energy: 0.6420534546158917
Energy: 0.6423809733970487
Energy: 0.6179240390449207
Energy: 0.6440640432179554
Energy: 0.6518087222962324
Energy: 0.6526912695677012
Energy: 0.6303883083299371
Energy: 0.6450364991248204
Energy: 0.655793010111319
Energy: 0.639062888574371
Energy: 0.6349176347142017
Energy: 0.6330809410977157
Energy: 0.646064974437439
Energy: 0.6238291576252595
Energy: 0.6332952840102777
Energy: 0.6387042728985011
Energy: 0.6390145251765206
Energy: 0.6389932869475798
Energy: 0.639155665009045
Energy: 0.6528951108032964
Energy: 0.6395781067419707
Energy: 0.6382422641939155
Energy: 0.615642659092472
Energy: 0.616823052353794
Energy: 0.6392718644563088
Energy: 0.6155509573654843
Energy: 0.6483365995213323
Energy: 0.629974340934473
Energy: 0.615801711398841
Energy: 0.6155975590819672
Energy: 0.6515639686350513
Energy: 0.6156264612320643
Energy: 0.6169027897638363
Energy: 0.6129113368738702
Energy: 0.617962766368091
Energy: 0.6396696499360902
Energy: 0.6736581785410057
Energy: 0.6386485724959959
Energy: 0.6195830636678656

minimum gb energy = 0.6129113368738702 eV
minimum distance =  2.60615574895295 Angstroms
sigma value = 81


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

Energy: 1.0804005938021055
Energy: 0.5884417945201432
Energy: 0.5878138471328617
Energy: 0.5905501411310432
Energy: 0.6958098214844626
Energy: 0.5884631249156045
Energy: 0.5825983201672644
Energy: 0.6031913823653338
Energy: 0.5972889747402552
Energy: 0.5995806716614999
Energy: 0.6008126849399696
Energy: 0.6193140931508977
Energy: 0.6012210735215772
Energy: 0.5823305552373814
Energy: 0.5838906774091367
Energy: 0.6051258599225111
Energy: 0.5825124816778953
Energy: 0.5924264995477826
Energy: 0.5949329786727683
Energy: 0.58364197656793
Energy: 0.6193314437342299
Energy: 0.5952117015338272
Energy: 0.5825972098094199
Energy: 0.5970459016890631
Energy: 0.5956738709435939
Energy: 0.6155357010177801
Energy: 0.5919986618856075
Energy: 0.5959316931015165
Energy: 0.6248932280064259
Energy: 0.5920017251564146
Energy: 0.6051261614808258
Energy: 0.629109326816012
Energy: 0.6242720135895664
Energy: 0.6058030828441957
Energy: 0.6259378616325447
Energy: 0.5932932613291809
Energy: 0.5919577958541417
Energy: 0.5963996694982541
Energy: 0.6204810777418412
Energy: 0.5995903568718747
Energy: 0.6024323487814585
Energy: 0.6209404036315513
Energy: 0.6021887330523928
Energy: 0.6687113167869365
Energy: 0.6642632857928571
Energy: 0.6177274499823262
Energy: 0.697752374609096
Energy: 0.6697301770513373
Energy: 0.5929352750969507
Energy: 0.5956422214241494
Energy: 0.6190315194334408
Energy: 0.599057549235429
Energy: 0.6007052920319783
Energy: 0.618945295827517
Energy: 0.6030389110834681
Energy: 0.5819701741437284
Energy: 0.5829071690632178
Energy: 0.6019732876733861
Energy: 0.5817272185736777
Energy: 0.5823556648566826
Energy: 0.6032227672773587
Energy: 0.5814905200596685
Energy: 0.5819577262650608
Energy: 0.603475330949794
Energy: 0.5846629263861638
Energy: 0.5970937398152343
Energy: 0.5817932410112511
Energy: 0.597244971605244
Energy: 0.5975953279886905
Energy: 0.5828383213536432
Energy: 0.6022964424656906
Energy: 0.5936207321456022
Energy: 0.5822659462908738
Energy: 0.5967165262466905
Energy: 0.5998603259412665
Energy: 0.5825777554657465
Energy: 0.5959259604141798
Energy: 0.5839192984243307
Energy: 0.6005433156444905
Energy: 0.5938457349264419
Energy: 0.5968689654278571
Energy: 0.6007643522769669
Energy: 0.592923454572857
Energy: 0.594172817302683
Energy: 0.6032667207708647
Energy: 0.5962451023561709
Energy: 0.5907249600777763
Energy: 0.6332975476974008
Energy: 0.5951209772468335
Energy: 0.5909625905704065
Energy: 0.5996203944812364
Energy: 0.5951288650903485
Energy: 0.5979459052032776
Energy: 0.6001331590869965
Energy: 0.6004283626494026
Energy: 0.6209799264955459
Energy: 0.6990027811048332
Energy: 0.5877133881761825
Energy: 0.6293085219013533
Energy: 0.6993594860376543
Energy: 0.6170076163301899
Energy: 0.6301216682715762
Energy: 0.5957856215992479
Energy: 0.5980877943505446
Energy: 0.6211058577502931
Energy: 0.6026834280817936
Energy: 0.6007233318135015
Energy: 0.6210466526339681
Energy: 0.5852270415692308
Energy: 0.6014716523618433
Energy: 0.5820655407947274
Energy: 0.5868809310527233
Energy: 0.6036104223166581
Energy: 0.5822307654108144
Energy: 0.5839880698383304
Energy: 0.6027873325666678
Energy: 0.581996945636541
Energy: 0.581992091561601
Energy: 0.603132313407769
Energy: 0.5820906494744756
Energy: 0.5975564755888445
Energy: 0.5965782401453644
Energy: 0.61983288818701
Energy: 0.6020784386768961
Energy: 0.600342928333477
Energy: 0.6285012263643929
Energy: 0.597531063587477
Energy: 0.5839343300471465
Energy: 0.6185216649599429
Energy: 0.5979867102217097
Energy: 0.5834870488646925
Energy: 0.5845766515739829
Energy: 0.5910676788645992
Energy: 0.5909193948943158
Energy: 0.6214089259861413
Energy: 0.5915498507500384
Energy: 0.600271787725121
Energy: 0.5945215563489511
Energy: 0.5969530350660017
Energy: 0.6346231318873149
Energy: 0.5888601310914346
Energy: 0.5967235997973712
Energy: 0.5915123266126573
Energy: 0.6330417986907954
Energy: 0.599226190775268
Energy: 0.6208157333355443
Energy: 0.6287378029855646
Energy: 0.6008888811596748
Energy: 0.5962559317368449
Energy: 0.6271754338208096
Energy: 0.7651207587089679
Energy: 0.6636693438729514
Energy: 0.6638382489783712
Energy: 0.6177498280072237
Energy: 0.6637114935107601
Energy: 0.6248104794123185
Energy: 0.600189346348469
Energy: 0.6234180321399844
Energy: 0.6239342822873915
Energy: 0.6172380127122201
Energy: 0.6632538598299618
Energy: 0.6241079142253634
Energy: 0.6066088988732473
Energy: 0.5822992361775821
Energy: 0.6214287976785999
Energy: 0.6016250383373127
Energy: 0.5857402369387325
Energy: 0.5972554739574281
Energy: 0.6043747492382094
Energy: 0.5822935715658037
Energy: 0.5832669309310681
Energy: 0.6045334874595895
Energy: 0.5820635110461797
Energy: 0.5827699793753675
Energy: 0.5993027098305553
Energy: 0.595582035629651
Energy: 0.6230309145457691
Energy: 0.5995006773255727
Energy: 0.6004147955286435
Energy: 0.6191863022470999
Energy: 0.5833349263469877
Energy: 0.5972061914116802
Energy: 0.5906840615034926
Energy: 0.5837271351773496
Energy: 0.597072729694664
Energy: 0.5838984738718332
Energy: 0.6005036757382607
Energy: 0.5940202824223516
Energy: 0.5949997930072998
Energy: 0.6010720438244359
Energy: 0.5935616952587154
Energy: 0.5986692893126138
Energy: 0.6019303948020205
Energy: 0.5961267378523146
Energy: 0.5920048252238389
Energy: 0.6291774363898903
Energy: 0.5963143448709123
Energy: 0.627097551709323
Energy: 0.6017109742679927
Energy: 0.5960192279597669
Energy: 0.6288475120457161
Energy: 0.5961818750927449
Energy: 0.6019361010671108
Energy: 0.626091359540609
Energy: 0.6028989728146722
Energy: 0.5982336295316428
Energy: 0.622663824555132
Energy: 0.6019788792993681
Energy: 0.616276909667698
Energy: 0.62157837869496
Energy: 0.7003979793584334
Energy: 0.616500795640813
Energy: 0.6111965206016077
Energy: 0.7003798960596324
Energy: 0.616939603588671
Energy: 0.6649528033775624
Energy: 0.5931452745822119
Energy: 0.5961585189130331
Energy: 0.5968316915629573
Energy: 0.5997294184751393
Energy: 0.6001115094409799
Energy: 0.6185135828327137
Energy: 0.5844833842123256
Energy: 0.6830403551725994
Energy: 0.5886236014693588
Energy: 0.5831091471669742
Energy: 0.6009170738361881
Energy: 0.588495725775829

minimum gb energy = 0.5814905200596685 eV
minimum distance =  2.61607013464706 Angstroms
sigma value = 43


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

Energy: 0.7390377211012866
Energy: 0.7622233482995537
Energy: 0.7063916367402985
Energy: 0.6353699899172893
Energy: 0.7972231063898658
Energy: 0.6355452475734739
Energy: 0.6092036611165784
Energy: 0.6260916814601407
Energy: 0.6510923136106641
Energy: 0.62088435269156
Energy: 0.6155986180075
Energy: 0.6217922462009499
Energy: 0.6261755981250503
Energy: 0.6091343037956184
Energy: 0.6090873430797544
Energy: 0.6479129477537067
Energy: 0.6087815559059355
Energy: 0.6215243627482503
Energy: 0.621120215396255
Energy: 0.6087724243102431
Energy: 0.6215654656309653
Energy: 0.6215324304898383
Energy: 0.6105061704069226
Energy: 0.6215435366082219
Energy: 0.6212847212650164
Energy: 0.6326995839307316
Energy: 0.6506827989799384
Energy: 0.6217856408245437
Energy: 0.6488361136436377
Energy: 0.653887415415012
Energy: 0.6215404683627535
Energy: 0.6440401501874801
Energy: 0.653343518586916
Energy: 0.6215988498222108
Energy: 0.6225836420793196
Energy: 0.6509692845578432
Energy: 0.6245341190110547
Energy: 0.6214015563332007
Energy: 0.6218303202921008
Energy: 0.6251617940289732
Energy: 0.6213408210148598
Energy: 0.6214104522788028
Energy: 0.6816624043948273
Energy: 0.6244929601078241
Energy: 0.6242735468123313
Energy: 0.6122144421425098
Energy: 0.6244175517103602
Energy: 0.6225423056625249
Energy: 0.6715000993533881
Energy: 0.6218048835672627
Energy: 0.6220826432549531
Energy: 0.6715484058701643
Energy: 0.6215838737014183
Energy: 0.6219381027466515
Energy: 0.796526770612703
Energy: 0.622191172050746
Energy: 0.6692940487689258
Energy: 0.7963069559779435
Energy: 0.6216679246606474
Energy: 0.6864350644654469
Energy: 0.6125529865884091
Energy: 0.6108585889752538
Energy: 0.6442527443240458
Energy: 0.6256869106607222
Energy: 0.6247516309793159
Energy: 0.6500137063433782
Energy: 0.7247877153382833
Energy: 0.6213493229811272
Energy: 0.6215168237826035
Energy: 0.6089160236015142
Energy: 0.6216313718842578
Energy: 0.6214111984580966
Energy: 0.6357041260325363
Energy: 0.6215718697861589
Energy: 0.6315978663767994
Energy: 0.6107252888078093
Energy: 0.6703367444692947
Energy: 0.6316863385943403
Energy: 0.6125473245195987
Energy: 0.6221781096595841
Energy: 0.6175252505148081
Energy: 0.6246931459026386
Energy: 0.6217461371877645
Energy: 0.6221688542523348
Energy: 0.6125990726874043
Energy: 0.6713485057614398
Energy: 0.6318618016849812
Energy: 0.6124286294044686
Energy: 0.6817724181670959
Energy: 0.6213628639507816
Energy: 0.6124675458539824
Energy: 0.6210975023721119
Energy: 0.6113095822086139
Energy: 0.6111351292442845
Energy: 0.6352736613173745
Energy: 0.6115197467022473
Energy: 0.6170442239874456
Energy: 0.6165187456622864
Energy: 0.6164171905300883
Energy: 0.6171329851277086
Energy: 0.6196490624130943
Energy: 0.6164144142813903
Energy: 0.6151819229910734
Energy: 0.6122619393187564
Energy: 0.6111778932642563
Energy: 0.6336117703385098
Energy: 0.6119349149077589
Energy: 0.611206747024852
Energy: 0.6691530622065501
Energy: 0.6128592380161453
Energy: 0.6128447223995104
Energy: 0.666177725373124
Energy: 0.6135021072099937
Energy: 0.6200146231040176
Energy: 0.6699869938471639
Energy: 0.6144652365835653
Energy: 0.6133467863257617
Energy: 0.6236194507624777
Energy: 0.6718917908044159
Energy: 0.6199350751507777
Energy: 0.6146217071512639
Energy: 0.6119258110393058
Energy: 0.644900652872188
Energy: 0.632759488533078
Energy: 0.6100197377124407
Energy: 0.6116169071948622
Energy: 0.7098723181491473
Energy: 0.6324116383136376
Energy: 0.6325846472263569
Energy: 0.7101930701978588
Energy: 0.610673711072107
Energy: 0.7111327807220827
Energy: 0.7230025375940603
Energy: 0.6118089300669265
Energy: 0.6120422975949696
Energy: 0.6714454313295684
Energy: 0.6118182827274883
Energy: 0.6111024324414813
Energy: 0.7168752478945614
Energy: 0.6155962058200696
Energy: 0.6154607328308228
Energy: 0.6107706901693177
Energy: 0.6287433509021462
Energy: 0.615253633461256
Energy: 0.6848935495084439
Energy: 0.612266400692623
Energy: 0.6119431799068493
Energy: 0.6125487712911525
Energy: 0.6120640052571364
Energy: 0.6122557417708243
Energy: 0.6723810000463191
Energy: 0.6121902569104369
Energy: 0.6209269348013445
Energy: 0.6213780454714681
Energy: 0.6117007082380276
Energy: 0.6210927900711892
Energy: 0.6770776949118782
Energy: 0.6117867459907878
Energy: 0.62075947285433
Energy: 0.6216138698049839
Energy: 0.6260571398574444
Energy: 0.6209364795283285
Energy: 0.675488490874971
Energy: 0.616170033385403
Energy: 0.6214800884550368
Energy: 0.6219502586470689
Energy: 0.6260480015565759
Energy: 0.6209434357960666
Energy: 0.655431684144017
Energy: 0.6212490717235081
Energy: 0.6212759300405868
Energy: 0.6555010044757001
Energy: 0.6117599344510329
Energy: 0.6213691793817937
Energy: 0.6211553482791499
Energy: 0.6262059390626558
Energy: 0.6508547099637578
Energy: 0.621244609664224
Energy: 0.6158248992742464
Energy: 0.6217419346973582
Energy: 0.7084072796055436
Energy: 0.7176119503719267
Energy: 0.7071588482226219
Energy: 0.6309837088651585
Energy: 0.7422947485184752
Energy: 0.7036118938256019

minimum gb energy = 0.6087724243102431 eV
minimum distance =  2.53306778209601 Angstroms
sigma value = 57


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

Energy: 0.7798501184131
Energy: 0.6510111628896665
Energy: 0.6510728845793449
Energy: 0.6086244595079179
Energy: 0.6273448647843286
Energy: 0.6514688832359116
Energy: 0.5790627356998528
Energy: 0.6253075441065936
Energy: 0.6194705935158967
Energy: 0.628617850060853
Energy: 0.6297422452840633
Energy: 0.6064376003581371
Energy: 0.6506843021666041
Energy: 0.5761094722015634
Energy: 0.5760203780667366
Energy: 0.6291755359106418
Energy: 0.5759718749921513
Energy: 0.5763296879917436
Energy: 0.6182723924396403
Energy: 0.575330496152254
Energy: 0.5756760382289896
Energy: 0.6193324630591603
Energy: 0.5752778732676708
Energy: 0.6194022956435538
Energy: 0.6198133229862685
Energy: 0.6042108609167416
Energy: 0.6036838468408995
Energy: 0.6188128271239737
Energy: 0.6030550998622896
Energy: 0.6186754469939628
Energy: 0.6033562089831657
Energy: 0.6027405397022486
Energy: 0.6025748126542161
Energy: 0.6146142208609463
Energy: 0.615751608859385
Energy: 0.6021072229760499
Energy: 0.6300263267770917
Energy: 0.61869941657458
Energy: 0.6195327316037817
Energy: 0.629541702117856
Energy: 0.6192070741957233
Energy: 0.6308701066557721
Energy: 0.6411305137329243
Energy: 0.6164781368965432
Energy: 0.6133241185327806
Energy: 0.6156156211332563
Energy: 0.6316586510932107
Energy: 0.6261323255574156
Energy: 0.6278264847775931
Energy: 0.6193083599161266
Energy: 0.6228839158139846
Energy: 0.628124993623872
Energy: 0.6202610299510197
Energy: 0.6188433213631988
Energy: 0.6313869638391137
Energy: 0.6144621465439966
Energy: 0.6144366738116072
Energy: 0.631574743035166
Energy: 0.6143557094188247
Energy: 0.6142348689535094
Energy: 0.6538232241874193
Energy: 0.6139461934066147
Energy: 0.6180624116090703
Energy: 0.6323370400135994
Energy: 0.6150197853348807
Energy: 0.6186862483251333
Energy: 0.5752101582043995
Energy: 0.6299993728474723
Energy: 0.618113216993588
Energy: 0.5773031721458834
Energy: 0.6339580747928487
Energy: 0.6494016906726443
Energy: 0.5753876394648731
Energy: 0.6101832715721905
Energy: 0.6509030770547789
Energy: 0.6040683834039583
Energy: 0.6314545593708929
Energy: 0.6508734107903354
Energy: 0.6155182671229237
Energy: 0.6258121246976193
Energy: 0.6048708446713201
Energy: 0.6292434718591857
Energy: 0.6294101510129848
Energy: 0.6187217668400455
Energy: 0.6309917145110134
Energy: 0.5756959020653589
Energy: 0.5755386993728473
Energy: 0.6312375759178358
Energy: 0.5750472530559457
Energy: 0.6085148967558125
Energy: 0.618547514440112
Energy: 0.6162461463496162
Energy: 0.6165717635001539
Energy: 0.6184502546359448
Energy: 0.6156992391041821
Energy: 0.6193076378661939
Energy: 0.6232507220502731
Energy: 0.6031732676162148
Energy: 0.6057117003183201
Energy: 0.6190963086117108
Energy: 0.6031336685498909
Energy: 0.6167991775755413
Energy: 0.6219533001400135
Energy: 0.6175134883577084
Energy: 0.6034849654957682
Energy: 0.6161389096827605
Energy: 0.6194653824283943
Energy: 0.6029578056618078
Energy: 0.6293565091290947
Energy: 0.6204956798867902
Energy: 0.6208294573510811
Energy: 0.6172749832719565
Energy: 0.6202639839717405
Energy: 0.6199847701739638
Energy: 0.6295810413050672
Energy: 0.620229451682506
Energy: 0.6203683500206049
Energy: 0.6294089773878587
Energy: 0.6208356487223333
Energy: 0.6197972474669768
Energy: 0.6296998246920235
Energy: 0.6425546776406118
Energy: 0.644965708549557
Energy: 0.6301259999385355
Energy: 0.6241690183716233
Energy: 0.618301793470676
Energy: 0.6246182762837947
Energy: 0.6164100808997883
Energy: 0.6164382771664118
Energy: 0.6238310464538059
Energy: 0.6158132117864975
Energy: 0.6313457566523497
Energy: 0.6147051682010545
Energy: 0.6253721781653558
Energy: 0.6253494852980016
Energy: 0.628745303012576
Energy: 0.6296091954609473
Energy: 0.6256132190546674
Energy: 0.5755533344386393
Energy: 0.6105094271410281
Energy: 0.6507122184795164
Energy: 0.6042176484017587
Energy: 0.6325594622808384
Energy: 0.6509418585140538

minimum gb energy = 0.5750472530559457 eV
minimum distance =  2.57747865445453 Angstroms
sigma value = 17


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

Energy: 0.5661521730295258
Energy: 0.6930992091983433
Energy: 0.6921592083117446
Energy: 0.613473206845272
Energy: 0.6730550910529502
Energy: 0.5974950497387975
Energy: 0.5980565600263098
Energy: 0.676113320589711
Energy: 0.6761221978499012
Energy: 0.6769452762804888
Energy: 0.6767532744779756
Energy: 0.6278089190252526
Energy: 0.6557627953583675
Energy: 0.599438647749884
Energy: 0.5991049311033736
Energy: 0.6565726239632932
Energy: 0.5989898204123226
Energy: 0.599208066138722
Energy: 0.6797367549145912
Energy: 0.5985513332181052
Energy: 0.5984515909782673
Energy: 0.676466154221026
Energy: 0.5942868157205137
Energy: 0.6761008743516304
Energy: 0.5892289037567952
Energy: 0.6024775174406317
Energy: 0.6028094109402118
Energy: 0.5883894633113416
Energy: 0.5810414347725005
Energy: 0.6009466726230269
Energy: 0.5999240335132462
Energy: 0.5843519263557428
Energy: 0.5862783160522816
Energy: 0.592530850828081
Energy: 0.5871948221231883
Energy: 0.5903998390262384
Energy: 0.5805101328581729
Energy: 0.5792835853549396
Energy: 0.5794633608745352
Energy: 0.5806697280489546
Energy: 0.5790093351705876
Energy: 0.5859355865260716
Energy: 0.580100960331893
Energy: 0.5920908874075024
Energy: 0.5914583105121715
Energy: 0.5923187734452139
Energy: 0.5912085789839212
Energy: 0.5882383952177107
Energy: 0.5820646147241957
Energy: 0.5917370968907614
Energy: 0.5846452268821987
Energy: 0.5792031496403598
Energy: 0.5895505416076087
Energy: 0.5800815458449399
Energy: 0.5839243981864042
Energy: 0.6025131225716802
Energy: 0.6032810608388514
Energy: 0.5834134595700283
Energy: 0.6011844081260398
Energy: 0.585457456619382
Energy: 0.6879403781066905
Energy: 0.6033174570604695
Energy: 0.6009898820852579
Energy: 0.60862782807772
Energy: 0.5887417428007226
Energy: 0.6010019472945651
Energy: 0.674201965574338
Energy: 0.6762475843483376
Energy: 0.6764261661570822
Energy: 0.67358861172332
Energy: 0.6760159490592406
Energy: 0.6762235332775687
Energy: 0.587831366552402
Energy: 0.6583594624898371
Energy: 0.6612721162793476
Energy: 0.5839635487198821
Energy: 0.6578983904612269
Energy: 0.679535745532553
Energy: 0.7760228988014227
Energy: 0.6771098215115775
Energy: 0.6770962279562813
Energy: 0.6771535458385892
Energy: 0.6768761070065117
Energy: 0.6270124285914898
Energy: 0.6828736149275213
Energy: 0.6514968370040845
Energy: 0.6684339483485858
Energy: 0.6824156422888702
Energy: 0.6515693073109383
Energy: 0.6698043292875647
Energy: 0.6526545284776285
Energy: 0.6958439764197311
Energy: 0.629457653651259
Energy: 0.6769662137648773
Energy: 0.6959029319849723
Energy: 0.6759356130191437
Energy: 0.6655717366086966
Energy: 0.6774382497796804
Energy: 0.7512403835178288
Energy: 0.6178524198335671
Energy: 0.6775292193659731
Energy: 0.7510549526595707

minimum gb energy = 0.5661521730295258 eV
minimum distance =  2.57445214880648 Angstroms
sigma value = 17


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

Energy: 0.5464065746393035
Energy: 0.7663515713921721
Energy: 0.633267882468468
Energy: 0.5951011688112555
Energy: 0.8419099859958106
Energy: 0.6316835679812675
Energy: 0.7288802858189543
Energy: 0.6772973092993049
Energy: 0.5833055613613679
Energy: 0.6749501023538174
Energy: 0.6779137553765434
Energy: 0.6197825789641632
Energy: 0.8038869153712781
Energy: 0.5664662077732225
Energy: 0.602273573444506
Energy: 0.6829823433344857
Energy: 0.5644862868822137
Energy: 0.6073078099483952
Energy: 0.6799556106691967
Energy: 0.5991398760431321
Energy: 0.6070657758284733
Energy: 0.6810763566463859
Energy: 0.5474091909138531
Energy: 0.6057188927082763
Energy: 0.5840835367610896
Energy: 0.5757598609845157
Energy: 0.5794770969409241
Energy: 0.5848140301341734
Energy: 0.5770921599023932
Energy: 0.5802975158124363
Energy: 0.5213575439688112
Energy: 0.575103698687457
Energy: 0.5368488688662
Energy: 0.5359000425463764
Energy: 0.574738644249873
Energy: 0.5546767202904925
Energy: 0.5316158731435296
Energy: 0.5823219930816615
Energy: 0.5740622543262073
Energy: 0.5609160569137736
Energy: 0.5777863114206356
Energy: 0.5609038076075893
Energy: 0.5330668811238648
Energy: 0.5441969405813789
Energy: 0.5474517009993622
Energy: 0.5532388174275481
Energy: 0.544105638287185
Energy: 0.5499381601507451
Energy: 0.5325922762961327
Energy: 0.5469265460241749
Energy: 0.5332218030980973
Energy: 0.5338381194927737
Energy: 0.5426994559733852
Energy: 0.5318168625363926
Energy: 0.5319286239908088
Energy: 0.5457942023820602
Energy: 0.5460039607613366
Energy: 0.5321931624922467
Energy: 0.5453733668608521
Energy: 0.5463418066728717
Energy: 0.5747469881367209
Energy: 0.5321905160555955
Energy: 0.5449111696167966
Energy: 0.5446378498599046
Energy: 0.5320153157210552
Energy: 0.5452313509229719
Energy: 0.5348631670431684
Energy: 0.5323104608342671
Energy: 0.5317555932077073
Energy: 0.5344702761484387
Energy: 0.5367401453637138
Energy: 0.5478047991776732
Energy: 0.5443345204682488
Energy: 0.5488903855202587
Energy: 0.5492904046085717
Energy: 0.5471019087342374
Energy: 0.5496184526018483
Energy: 0.5501143705459687
Energy: 0.5741787435203711
Energy: 0.5499830399403377
Energy: 0.5492125444753624
Energy: 0.575530112716702
Energy: 0.5576659500436038
Energy: 0.5741243845171626
Energy: 0.5747442478267588
Energy: 0.5580304464744607
Energy: 0.5584363487537796
Energy: 0.5748471081924267
Energy: 0.5511332005098284
Energy: 0.5787436761269837
Energy: 0.7441144072646034
Energy: 0.5892177014432547
Energy: 0.5868416046573226
Energy: 0.5756276550104216
Energy: 0.5854230474670787
Energy: 0.5866576361961359
Energy: 0.5318738682089057
Energy: 0.6769022336712402
Energy: 0.6769409856271285
Energy: 0.5340718614045643
Energy: 0.6826691648352163
Energy: 0.5740191102234947
Energy: 0.5329587823466697
Energy: 0.677090202247445
Energy: 0.6717560260729605
Energy: 0.5859324136554684
Energy: 0.6814050259855078
Energy: 0.5882963881165691
Energy: 0.7530921110141569
Energy: 0.6772916943765528
Energy: 0.6303436297198585
Energy: 0.6781788985090261
Energy: 0.5975868717862121
Energy: 0.5863164389565507
Energy: 0.8693525636016797
Energy: 0.5818742847541742
Energy: 0.5817482081668307
Energy: 0.7970595049371035
Energy: 0.5937097904858807
Energy: 0.6551853118744964
Energy: 0.7959729723339629
Energy: 0.6773041621210601
Energy: 0.6703547733202203
Energy: 0.6791191246684729
Energy: 0.6778925296533167
Energy: 0.6752307166710109
Energy: 0.5420136029522072
Energy: 0.6779516650236455
Energy: 0.731107874500769
Energy: 0.6060987640522167
Energy: 0.6772672009110164
Energy: 0.6066193626841105
Energy: 0.5428915320133982
Energy: 0.6772699475388734
Energy: 0.676776388362247
Energy: 0.5433846686417932
Energy: 0.6799404259905982
Energy: 0.6479592509571671
Energy: 0.7928893735959524
Energy: 0.5978648007873009
Energy: 0.5797100168913549
Energy: 0.6788259466997767
Energy: 0.5478949094973923
Energy: 0.6751457079478173
Energy: 0.6752834149509052
Energy: 0.5477030182696576
Energy: 0.6026608859853072
Energy: 0.6755298184930123
Energy: 0.5669243674641762
Energy: 0.6075615764092018
Energy: 0.586361031833833
Energy: 0.5754977592152567
Energy: 0.5856429906820132
Energy: 0.586062059482106
Energy: 0.5797720298232822
Energy: 0.6278099980814472
Energy: 0.5217923203152939
Energy: 0.5768842504574947
Energy: 0.5754607453605372
Energy: 0.5346836503519417
Energy: 0.5927733797685927
Energy: 0.5537082327012777
Energy: 0.574605919028009
Energy: 0.5807802155492402
Energy: 0.5741792070447308
Energy: 0.5745327805775622
Energy: 0.5763703079200532
Energy: 0.5740000190455189
Energy: 0.5331489388818996
Energy: 0.5487699808247727
Energy: 0.5475582085222794
Energy: 0.5477039304996058
Energy: 0.5423260280006983
Energy: 0.5521926699437226
Energy: 0.5316589843024433
Energy: 0.5440693855122294
Energy: 0.5465723868649139
Energy: 0.5319794951101111
Energy: 0.5436997570686486
Energy: 0.549425505371102
Energy: 0.5370257555397396
Energy: 0.542520967014204
Energy: 0.5439814184094558
Energy: 0.5381324188708428
Energy: 0.5425386150197111
Energy: 0.5398724270381675
Energy: 0.5333435233243262
Energy: 0.5426880203443983
Energy: 0.5431507799780789
Energy: 0.5439363818558716
Energy: 0.5431008379933623
Energy: 0.543308674948702
Energy: 0.5409719283203884
Energy: 0.5376845701488079
Energy: 0.5320217068113025
Energy: 0.5414901828870721
Energy: 0.5331670178644154
Energy: 0.5316495970434343
Energy: 0.5437602923487419
Energy: 0.5577738785304931
Energy: 0.5490421453857034
Energy: 0.5475683233407828
Energy: 0.5481341435956322
Energy: 0.5499001260768314
Energy: 0.5807519812156873
Energy: 0.548036176704121
Energy: 0.5549336104016164
Energy: 0.5743608531591363
Energy: 0.5474561383803865
Energy: 0.5504497416888322
Energy: 0.5823446286331974
Energy: 0.5504052896741636
Energy: 0.5875683289222453
Energy: 0.58324184424422
Energy: 0.5512318346564142
Energy: 0.5751973027200963
Energy: 0.7320642315410298
Energy: 0.5788252769970013
Energy: 0.5793432003980794
Energy: 0.5788294868510654
Energy: 0.5359772147913187
Energy: 0.5875903933283676
Energy: 0.5347317450227748
Energy: 0.6767848746267165
Energy: 0.6764411641873473
Energy: 0.5865810874127646
Energy: 0.6770869485296639
Energy: 0.5867282307529168
Energy: 0.5317039819628467
Energy: 0.6639521578180217
Energy: 0.5931887081696005
Energy: 0.5902075890926838
Energy: 0.6768531123311797
Energy: 0.5932550071622876
Energy: 0.6640919753591429
Energy: 0.6768471090780104
Energy: 0.6776587222458541
Energy: 0.585805058371156
Energy: 0.6792836143331797
Energy: 0.6277632804716191
Energy: 0.7559132809400286
Energy: 0.5753484098237979
Energy: 0.636210396891271
Energy: 0.6771021846976875
Energy: 0.5756239508408655
Energy: 0.6610394569072459
Energy: 0.7925454424211323
Energy: 0.6330636025448003
Energy: 0.5823533405823192
Energy: 0.6788295215149044
Energy: 0.5842224789008413
Energy: 0.6754690246344047
Energy: 0.5428458308572941
Energy: 0.6771633080380628
Energy: 0.6773974594260772
Energy: 0.5490941216799806
Energy: 0.678681197258261
Energy: 0.6525241638479569

minimum gb energy = 0.5213575439688112 eV
minimum distance =  2.55929326394227 Angstroms
sigma value = 57


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

Energy: 0.500387532378196
Energy: 0.6969202315120634
Energy: 0.6042861022540752
Energy: 0.5312840786166705
Energy: 0.8348635571428284
Energy: 0.6053022485592552
Energy: 0.7243605766933024
Energy: 0.6641277205798347
Energy: 0.5505699618649251
Energy: 0.6669703301686578
Energy: 0.6607671384394886
Energy: 0.5438009242054369
Energy: 0.7539008108695275
Energy: 0.5295925287580303
Energy: 0.531301289089657
Energy: 0.6654390422211479
Energy: 0.5260164663898266
Energy: 0.590497321704519
Energy: 0.6615339196056242
Energy: 0.5273311336836625
Energy: 0.5867167190101604
Energy: 0.6622254814736837
Energy: 0.5685057731851226
Energy: 0.5984549653373127
Energy: 0.5586303351535129
Energy: 0.5718507883449133
Energy: 0.5552475058330805
Energy: 0.559409533033155
Energy: 0.569044159830002
Energy: 0.545880597089263
Energy: 0.5098558469438724
Energy: 0.5662661340661703
Energy: 0.5240912891653644
Energy: 0.5102079011831472
Energy: 0.5661586899572423
Energy: 0.5072679366652676
Energy: 0.6056927220871539
Energy: 0.5730894195205283
Energy: 0.5661754751322403
Energy: 0.5254326607733953
Energy: 0.5702471466495087
Energy: 0.5414341906101476
Energy: 0.672269419414911
Energy: 0.5041177181475052
Energy: 0.5041270599015383
Energy: 0.5264898047320992
Energy: 0.5042624526964734
Energy: 0.5150400079638269
Energy: 0.5188536002078767
Energy: 0.5251101820460106
Energy: 0.515378002776677
Energy: 0.5189685328512936
Energy: 0.5220163096693878
Energy: 0.5158023464811027
Energy: 0.5154241405288065
Energy: 0.5012325624709585
Energy: 0.5016839960375237
Energy: 0.5155313749958996
Energy: 0.5008140387487652
Energy: 0.5009258632822835
Energy: 0.5095544035245051
Energy: 0.4923531653173709
Energy: 0.4982881583498919
Energy: 0.4981228786993584
Energy: 0.49250753256655455
Energy: 0.4985216504852258
Energy: 0.5194123962930045
Energy: 0.5007047953523345
Energy: 0.4925385071360347
Energy: 0.5055457186384396
Energy: 0.4968154318994055
Energy: 0.5024500227157264
Energy: 0.4925025455160033
Energy: 0.5019597129925084
Energy: 0.5046662727695455
Energy: 0.49997660447245995
Energy: 0.510993322851492
Energy: 0.5046661660524067
Energy: 0.49422191427150447
Energy: 0.5000825840226178
Energy: 0.49252479545637085
Energy: 0.49555943222670285
Energy: 0.5060969339291977
Energy: 0.4927380172773161
Energy: 0.4926113427564287
Energy: 0.5007651466738228
Energy: 0.5001517388534357
Energy: 0.4925736962508713
Energy: 0.5001665166567645
Energy: 0.4994094356246963
Energy: 0.6131433415794932
Energy: 0.5154958428650118
Energy: 0.505002890302968
Energy: 0.5041721693223086
Energy: 0.5261415339963822
Energy: 0.5048488014414889
Energy: 0.5459860436108275
Energy: 0.5256928923088418
Energy: 0.515671211498489
Energy: 0.5267118387236003
Energy: 0.5219622062266711
Energy: 0.5261660236160809
Energy: 0.495083011862445
Energy: 0.5251602515960128
Energy: 0.5238444112765084
Energy: 0.49657060250334323
Energy: 0.5257088926009063
Energy: 0.5162998885824476
Energy: 0.5670483466394858
Energy: 0.5261850931045913
Energy: 0.5681102558394115
Energy: 0.5690002394852328
Energy: 0.5343153408252382
Energy: 0.5662485911430402
Energy: 0.7075893757473831
Energy: 0.5311883455728041
Energy: 0.5331132605135782
Energy: 0.5777552891725384
Energy: 0.5266380499139321
Energy: 0.5460371819593935
Energy: 0.7119908020063358
Energy: 0.570260564004509
Energy: 0.566440728049813
Energy: 0.5687928515320029
Energy: 0.5737326210563319
Energy: 0.5669963610882554
Energy: 0.4929700446086468
Energy: 0.6590157667118131
Energy: 0.5663905362145021
Energy: 0.5195174376606226
Energy: 0.6673172108080765
Energy: 0.5566162518513899
Energy: 0.5768184586140785
Energy: 0.6644797167599362
Energy: 0.6474465027537495
Energy: 0.5762857115573392
Energy: 0.661688520600237
Energy: 0.6401386923798996
Energy: 0.7209109315556828
Energy: 0.5665493888742661
Energy: 0.544863111507049
Energy: 0.5674066345675967
Energy: 0.5240155353041087
Energy: 0.5702668902120887
Energy: 0.7577983490636251
Energy: 0.5412105745470545
Energy: 0.569610727756814
Energy: 0.667869422126752
Energy: 0.5537013582081037
Energy: 0.6245881583192021
Energy: 0.7576678767719044
Energy: 0.6664373807432574
Energy: 0.6392043472252263
Energy: 0.6637048219549713
Energy: 0.6642352057089427
Energy: 0.5703252993512719
Energy: 0.5620683811034949
Energy: 0.6272478388767123
Energy: 0.6000303500390658
Energy: 0.5112214336620883
Energy: 0.6699768369877807
Energy: 0.6004579808522237

minimum gb energy = 0.4923531653173709 eV
minimum distance =  2.5483099334424 Angstroms
sigma value = 43


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

Energy: 0.4347201341441703
Energy: 0.5536170579748623
Energy: 0.5346257327797951
Energy: 0.4583003433493536
Energy: 0.6261042329024871
Energy: 0.5133599759540926
Energy: 0.6352412801659931
Energy: 0.4595835695944253
Energy: 0.45925544961409476
Energy: 0.5486271938791789
Energy: 0.5151698346822963
Energy: 0.45510277134358323
Energy: 0.6581858590195603
Energy: 0.44275953354524367
Energy: 0.4414796405374063
Energy: 0.585989897838277
Energy: 0.4422859082263789
Energy: 0.48020249033884554
Energy: 0.5711817884346015
Energy: 0.4387901398543714
Energy: 0.475124064122945
Energy: 0.5395356066554272
Energy: 0.4780394259906192
Energy: 0.5224042302893601
Energy: 0.5744803737258523
Energy: 0.4599348159194832
Energy: 0.4598618140765506
Energy: 0.48970325211854493
Energy: 0.5164721923558824
Energy: 0.4510758072709005
Energy: 0.4196821836262443
Energy: 0.5136031706649551
Energy: 0.4349000477000992
Energy: 0.4295903298658344
Energy: 0.5134519553177009
Energy: 0.44782538629559926
Energy: 0.5721290411394157
Energy: 0.5136190056565971
Energy: 0.5135010315308899
Energy: 0.4614517450037988
Energy: 0.5195252660825397
Energy: 0.43082156087723694
Energy: 0.5980138115917172
Energy: 0.4202820651447663
Energy: 0.42635605243018054
Energy: 0.4597087969775941
Energy: 0.4205125111965279
Energy: 0.42545895555779534
Energy: 0.4704576004649993
Energy: 0.4276870531473413
Energy: 0.46868335541629635
Energy: 0.4718406283212331
Energy: 0.4295440182862505
Energy: 0.4687405212301066
Energy: 0.4518900103144767
Energy: 0.41623572086051397
Energy: 0.41614207188912594
Energy: 0.4690889753024442
Energy: 0.4358563793950669
Energy: 0.41729693353777403
Energy: 0.4153598320972228
Energy: 0.4408245342575138
Energy: 0.4169451501045899
Energy: 0.41340359895568857
Energy: 0.4408533891761792
Energy: 0.41400430665468924
Energy: 0.47264689654220593
Energy: 0.44077051853720844
Energy: 0.44081827002130886
Energy: 0.41696780938719247
Energy: 0.4407666990057095
Energy: 0.4156239268131289
Energy: 0.5696812771274234
Energy: 0.44064397844620856
Energy: 0.4417266851200287
Energy: 0.46695135321868864
Energy: 0.4082191444732045
Energy: 0.45168825041097993
Energy: 0.4243141706331936
Energy: 0.4107840395533243
Energy: 0.4243635570673238
Energy: 0.4258863985107359
Energy: 0.416650879617774
Energy: 0.42436501459234144
Energy: 0.42447233287669056
Energy: 0.40794370295331994
Energy: 0.4081262504457804
Energy: 0.4244309460120517
Energy: 0.4086161825407796
Energy: 0.40984794623559756
Energy: 0.4179393194489402
Energy: 0.4166865484413719
Energy: 0.4170241202813625
Energy: 0.40791449319771916
Energy: 0.41671866561416276
Energy: 0.4068827489434299
Energy: 0.4271844120283249
Energy: 0.4166600193027941
Energy: 0.41700578536539035
Energy: 0.42612230350777547
Energy: 0.4165732576296191
Energy: 0.4089101749336553
Energy: 0.4168055408545893
Energy: 0.4090610761650888
Energy: 0.4088320442451676
Energy: 0.41695325850888204
Energy: 0.40963429628555587
Energy: 0.4088768413578623
Energy: 0.4164795971694304
Energy: 0.42088933676105283
Energy: 0.4169500908011159
Energy: 0.41762489182906776
Energy: 0.4665631184214668
Energy: 0.41669564255065145
Energy: 0.417443222883116
Energy: 0.4160895799127636
Energy: 0.41578426254804735
Energy: 0.4170734651726351
Energy: 0.4148370342540999
Energy: 0.4156489721081247
Energy: 0.44365232805401406
Energy: 0.42442951249713123
Energy: 0.42468395691294775
Energy: 0.41424875913174414
Energy: 0.4243741202180072
Energy: 0.41539176113224724
Energy: 0.41788147096379147
Energy: 0.4245368404420676
Energy: 0.4245819028739239
Energy: 0.41053543513498253
Energy: 0.42461366230306896
Energy: 0.409076927201359
Energy: 0.44081400246859115
Energy: 0.4096927749313129
Energy: 0.40930944645245065
Energy: 0.4409613286989271
Energy: 0.4102180828253384
Energy: 0.41046900085807675
Energy: 0.44097216814383594
Energy: 0.41295032852131974
Energy: 0.44063500260779026
Energy: 0.4423927569366505
Energy: 0.4244466922355601
Energy: 0.4405544233318929
Energy: 0.5814198052852699
Energy: 0.4441971959722302
Energy: 0.416293319951123
Energy: 0.4505388492810854
Energy: 0.41448727788240847
Energy: 0.45048279320251555
Energy: 0.5508276213097004
Energy: 0.46891752515375024
Energy: 0.4688481782180706
Energy: 0.41803304413292003
Energy: 0.46915122750943034
Energy: 0.41703275465343237
Energy: 0.41778022490305294
Energy: 0.46855742910081466
Energy: 0.4353807597861074
Energy: 0.42056031192432447
Energy: 0.46857871177532506
Energy: 0.4227956967812228
Energy: 0.4668346217223933
Energy: 0.4403721690973961
Energy: 0.435378632568244
Energy: 0.4849826768586451
Energy: 0.4802226579218906
Energy: 0.4292032663616691
Energy: 0.5155617722220859
Energy: 0.44022124858051614
Energy: 0.5134837568092617
Energy: 0.5163858703272624
Energy: 0.44076458943874813
Energy: 0.513429846783198
Energy: 0.6237902870977732
Energy: 0.4320494075388214
Energy: 0.43861103804288787
Energy: 0.5153658874927252
Energy: 0.431457141563765
Energy: 0.4383128959856877
Energy: 0.6188283108603181
Energy: 0.520753901167957
Energy: 0.4984219503814763
Energy: 0.5138711546451048
Energy: 0.515383793457644
Energy: 0.49610061203427763
Energy: 0.42641883969430305
Energy: 0.5459935581621291
Energy: 0.47968767641104404
Energy: 0.4406431971576549
Energy: 0.5339791815478135
Energy: 0.4634902225326912
Energy: 0.5700284716171504
Energy: 0.5257289523993315
Energy: 0.5025658754920095
Energy: 0.5137504072207558
Energy: 0.547182062172496
Energy: 0.49666999112118215
Energy: 0.6182842050838596
Energy: 0.4631024031264138
Energy: 0.487018308537143
Energy: 0.4979594893214467
Energy: 0.5071178034266535
Energy: 0.551537620328704
Energy: 0.6597845170329533
Energy: 0.4609941634496132
Energy: 0.5036670833666935
Energy: 0.5859457571039253
Energy: 0.4600794417774073
Energy: 0.49457739479684165
Energy: 0.635241280175201
Energy: 0.511457449159767
Energy: 0.5023573820343377
Energy: 0.5474680092356405
Energy: 0.5487868303721802
Energy: 0.5075600643339376

minimum gb energy = 0.4068827489434299 eV
minimum distance =  2.57538834422252 Angstroms
sigma value = 81


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

Energy: 0.011926979587946786
Energy: 0.04598091424906812
Energy: 0.012824699095303508
Energy: 0.014191170326052457
Energy: 0.01324317422163605
Energy: 0.012771635946597894
Energy: 0.046323629061493246
Energy: 0.012656326267099182
Energy: 0.01258750911587998
Energy: 0.04519318341860639
Energy: 0.01339645299712461
Energy: 0.012771373309129197
Energy: 0.044631113220045
Energy: 0.012535169111967146
Energy: 0.012496523515276633
Energy: 0.04466829786838
Energy: 0.012405440951617323
Energy: 0.04550361169489087
Energy: 0.015876981526236907
Energy: 0.012592525091722977
Energy: 0.012626195296930334
Energy: 0.013558598156768985
Energy: 0.012420933596712591
Energy: 0.045853539587281056
Energy: 0.04557439462938379
Energy: 0.044706062613912106
Energy: 0.044872459226737944
Energy: 0.04624354850692608
Energy: 0.04477539155558987
Energy: 0.04485027540951458
Energy: 0.01304189456997219
Energy: 0.012742646383353476
Energy: 0.012441977551040628
Energy: 0.014380835322428382
Energy: 0.012636278895582198
Energy: 0.01275392304865245
Energy: 0.044778223748747036
Energy: 0.012920200540776503
Energy: 0.013172531280791993
Energy: 0.04495893197951957
Energy: 0.01389004555702544
Energy: 0.01282076415966347
Energy: 0.044648366866461314
Energy: 0.012440011746202644
Energy: 0.012646650306353055
Energy: 0.0447260421997628
Energy: 0.01248104350383298
Energy: 0.04632431040300367
Energy: 0.01384116012249108
Energy: 0.012636699292820398
Energy: 0.045811945095808375
Energy: 0.01516665709019519
Energy: 0.012652248983670941
Energy: 0.04723216280271254
Energy: 0.012959809190647207
Energy: 0.044662575165032525
Energy: 0.044716600695560306
Energy: 0.012722970745211618
Energy: 0.044607556199726395
Energy: 0.0449123553532059

minimum gb energy = 0.011926979587946786 eV
minimum distance =  2.71745758883475 Angstroms
sigma value = 3


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

Energy: 0.5354543328975564
Energy: 0.5479862998937471
Energy: 0.5284579906591237
Energy: 0.45766487107382015
Energy: 0.5159859634272268
Energy: 0.4625566962961792
Energy: 0.5500048309300944
Energy: 0.49725869419935903
Energy: 0.49685831254195967
Energy: 0.5420417951896749
Energy: 0.5145037156802799
Energy: 0.48429405218010163
Energy: 0.547447557102924
Energy: 0.48643131339271656
Energy: 0.4922514167250518
Energy: 0.5287702187927809
Energy: 0.4844973720782507
Energy: 0.5163565311808074
Energy: 0.49984222400335776
Energy: 0.48505659181474964
Energy: 0.48849016026109465
Energy: 0.4995572680536618
Energy: 0.44197871953358026
Energy: 0.469833455840922
Energy: 0.45274774442050214
Energy: 0.5003720125743621
Energy: 0.49804403700852845
Energy: 0.4531000819960033
Energy: 0.5371899880695675
Energy: 0.4983377840890793
Energy: 0.4170667656118925
Energy: 0.48046745156752685
Energy: 0.4857761293761755
Energy: 0.41784579747744566
Energy: 0.4786448244054139
Energy: 0.4434739954190771
Energy: 0.5148503378723797
Energy: 0.4614467398187421
Energy: 0.46103597876245245
Energy: 0.5126765648890071
Energy: 0.46565614393925203
Energy: 0.5187334235171835
Energy: 0.4945516841348987
Energy: 0.4254199412671163
Energy: 0.4537769324155113
Energy: 0.4950881519213314
Energy: 0.39787728921352367
Energy: 0.45463041221045364
Energy: 0.42661900958319016
Energy: 0.5012143547738985
Energy: 0.5269761797034302
Energy: 0.4511007224165653
Energy: 0.42247820040132084
Energy: 0.5270709682431641
Energy: 0.4282362593694618
Energy: 0.46308200626154133
Energy: 0.46221852181657475
Energy: 0.42863393595698474
Energy: 0.46367281129027915
Energy: 0.46134129885180203
Energy: 0.40327443972312976
Energy: 0.46441449940722507
Energy: 0.4641167297916252
Energy: 0.4034169800515396
Energy: 0.4127162077921921
Energy: 0.4254635249586613
Energy: 0.43219048106087404
Energy: 0.5141389316048421
Energy: 0.5112495902637885
Energy: 0.43138243220901995
Energy: 0.42352746226338667
Energy: 0.4278115277003774
Energy: 0.44206911130552695
Energy: 0.4746753377598711
Energy: 0.4301856658756271
Energy: 0.43430850742590926
Energy: 0.39200773555888974
Energy: 0.440110311292661
Energy: 0.396327581652375
Energy: 0.40715662797652924
Energy: 0.4940779205257386
Energy: 0.43198495371346185
Energy: 0.4059665081616605
Energy: 0.4947661487958812
Energy: 0.39499860104267914
Energy: 0.4064977990770396
Energy: 0.40605266746454827
Energy: 0.39488774335216764
Energy: 0.40857642618649037
Energy: 0.4061336730131488
Energy: 0.3962989082065523
Energy: 0.45073453871872576
Energy: 0.47912020204427413
Energy: 0.3958429495724721
Energy: 0.48702099229990314
Energy: 0.47931629417916943
Energy: 0.3970665303143421
Energy: 0.4807596024512041
Energy: 0.479046907607732
Energy: 0.39757816424863146
Energy: 0.40756985505974125
Energy: 0.39398314788756106
Energy: 0.39512721596831557
Energy: 0.4735000380598509
Energy: 0.4877849242551907
Energy: 0.3953193571102786
Energy: 0.39661172700664465
Energy: 0.3966110637420325
Energy: 0.4932975622395249
Energy: 0.3971162494848531
Energy: 0.47615969629970767
Energy: 0.3958924727632903
Energy: 0.39626471239145156
Energy: 0.4747664648217079
Energy: 0.486903297310439
Energy: 0.3939939638814115
Energy: 0.3936229535651672
Energy: 0.4871332792803098
Energy: 0.3970368623920087
Energy: 0.3936346367509871
Energy: 0.4848352567568308
Energy: 0.4790050529809184
Energy: 0.47984359086310513
Energy: 0.48600130408931397
Energy: 0.48094372318541606
Energy: 0.4795980935958513
Energy: 0.41305810957825906
Energy: 0.4788530792886301
Energy: 0.40937519887575785
Energy: 0.4136733332017136
Energy: 0.47945424480059656
Energy: 0.40836360798168586
Energy: 0.40535489830999305
Energy: 0.4959548619371821
Energy: 0.49655723300680576
Energy: 0.405297331845337
Energy: 0.49686047716199083
Energy: 0.4932328268188017
Energy: 0.399693409677655
Energy: 0.4393003127524436
Energy: 0.4406964787235177
Energy: 0.39811812218235326
Energy: 0.4385638460656919
Energy: 0.4145138674274176
Energy: 0.40571019147278536
Energy: 0.4302685924561426
Energy: 0.428275460557456
Energy: 0.40677204858341565
Energy: 0.43151647722830866
Energy: 0.4278440481374456
Energy: 0.4068537772715889
Energy: 0.4512372924387283
Energy: 0.44219232677500814
Energy: 0.40872545097332746
Energy: 0.44191240958799377
Energy: 0.4617026217338514
Energy: 0.4639101951022445
Energy: 0.4952587661586092
Energy: 0.4412643231988912
Energy: 0.4638538230699461
Energy: 0.4131825465315593
Energy: 0.46237271897486254
Energy: 0.439343009731789
Energy: 0.4822614210412136
Energy: 0.47905818614400014
Energy: 0.4393105969730596
Energy: 0.4830705888913697
Energy: 0.47918492595932727
Energy: 0.41781202997436884
Energy: 0.497393585799436
Energy: 0.4753074496592968
Energy: 0.4093321161623966
Energy: 0.4970533789192458
Energy: 0.4348077427875158
Energy: 0.4664419476832166
Energy: 0.49768442963441684
Energy: 0.4971999766830144
Energy: 0.4607160798632677
Energy: 0.5169521752120455
Energy: 0.4960368667511907
Energy: 0.4569028246386243
Energy: 0.4322182826325111
Energy: 0.4668362735151764
Energy: 0.4564503644561476
Energy: 0.40231487751670253
Energy: 0.46535922778182087
Energy: 0.547347658407578
Energy: 0.5092652136062316
Energy: 0.4417515226624628
Energy: 0.5380958978460602
Energy: 0.43186911833955544
Energy: 0.5057205681966614
Energy: 0.46380526926280197
Energy: 0.4972128143805912
Energy: 0.4970711762787534
Energy: 0.46383052222423204
Energy: 0.5009214811920576
Energy: 0.5111953225196725

minimum gb energy = 0.39200773555888974 eV
minimum distance =  2.53785435437136 Angstroms
sigma value = 67


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

Energy: 0.5773418293023178
Energy: 0.6433393474994513
Energy: 0.6197839479218408
Energy: 0.5111813897986909
Energy: 0.649613132218161
Energy: 0.6398393449913585
Energy: 0.6315066506153267
Energy: 0.5855416440343093
Energy: 0.5850290149787765
Energy: 0.6363121167912752
Energy: 0.6409758265117145
Energy: 0.5371609532109084
Energy: 0.6412938986265262
Energy: 0.5908142541883319
Energy: 0.5818929161577229
Energy: 0.6416086055056494
Energy: 0.5337311873935108
Energy: 0.6278811714089341
Energy: 0.5910151522036088
Energy: 0.619228331739784
Energy: 0.5820286599981574
Energy: 0.5913718392869866
Energy: 0.5596024117868815
Energy: 0.5823912245404879
Energy: 0.5842449947934897
Energy: 0.5854478042749477
Energy: 0.5364392406200822
Energy: 0.5840110345838204
Energy: 0.640664113263026
Energy: 0.5373243976751151
Energy: 0.4994601009488936
Energy: 0.5736564385832474
Energy: 0.5876813117364276
Energy: 0.536267427305578
Energy: 0.5715731604038047
Energy: 0.5853363296858458
Energy: 0.5856781930636427
Energy: 0.5377209019828368
Energy: 0.5356961818113158
Energy: 0.5851549685193681
Energy: 0.5373141893077745
Energy: 0.5346441703781294
Energy: 0.594478041893498
Energy: 0.5050271143288462
Energy: 0.5339878609426307
Energy: 0.5938066051377648
Energy: 0.5003023413622265
Energy: 0.5889923102030785
Energy: 0.5048652634859592
Energy: 0.5625305922509503
Energy: 0.5622575919907639
Energy: 0.5616804806023065
Energy: 0.532043414826407
Energy: 0.5618229809662519
Energy: 0.4996603453400999
Energy: 0.5392500142205909
Energy: 0.53188797660389
Energy: 0.49852632785940054
Energy: 0.535585076264483
Energy: 0.5319523813040975
Energy: 0.4998743124484266
Energy: 0.5409862317355136
Energy: 0.5376280124988329
Energy: 0.4999998505857849
Energy: 0.5237719561502614
Energy: 0.536696353707025
Energy: 0.5032701772409061
Energy: 0.6038233497727583
Energy: 0.6043339483276008
Energy: 0.504392051381463
Energy: 0.5612667902293231
Energy: 0.4988259622192498
Energy: 0.5039779165742201
Energy: 0.6033372211558158
Energy: 0.5604653459027333
Energy: 0.5048613359908405
Energy: 0.5018934352364856
Energy: 0.4988166827070446
Energy: 0.5233992997450149
Energy: 0.5149220712896627
Energy: 0.5598358169843557
Energy: 0.5004045438290678
Energy: 0.5009909843322339
Energy: 0.5988672991783726
Energy: 0.5538592521759728
Energy: 0.5040368405657589
Energy: 0.4982317262974933
Energy: 0.5540053150024574
Energy: 0.5001616484078816
Energy: 0.49801635525167165
Energy: 0.548307426639714
Energy: 0.5607605063459623
Energy: 0.6075990162513669
Energy: 0.5612080795010095
Energy: 0.4994153233789299
Energy: 0.6050427742157084
Energy: 0.5368652763623394
Energy: 0.49666066214572197
Energy: 0.5078639055648586
Energy: 0.5377930400538565
Energy: 0.4918692439146714
Energy: 0.534519131673662
Energy: 0.5403408393586697
Energy: 0.563219438596051
Energy: 0.5627086335570319
Energy: 0.5406953847046579
Energy: 0.5621217914403192
Energy: 0.5329777110723313
Energy: 0.4896306627633772
Energy: 0.5029930125835428
Energy: 0.5642823890082527
Energy: 0.5092228629369973
Energy: 0.5594349522245631
Energy: 0.5622484959135767
Energy: 0.5329820521288754
Energy: 0.5946297894325837
Energy: 0.5386219968853075
Energy: 0.5330170937809493
Energy: 0.5918104571073756
Energy: 0.537914654049943
Energy: 0.5411617863429057
Energy: 0.5624212752852132
Energy: 0.5147174921936081
Energy: 0.5412058457006284
Energy: 0.6120965405942311
Energy: 0.5157357515431846
Energy: 0.6404468141874414
Energy: 0.5681199990269326
Energy: 0.5115977109017931
Energy: 0.6400072400852675
Energy: 0.5101364752233511
Energy: 0.5636030620242961
Energy: 0.6311430206420379
Energy: 0.5938152818153818
Energy: 0.5851409346395012
Energy: 0.6307555105276866
Energy: 0.5914944884016025
Energy: 0.5371407476760695

minimum gb energy = 0.4896306627633772 eV
minimum distance =  2.55278781861421 Angstroms
sigma value = 33


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

Energy: 0.6858627156059006
Energy: 0.7975124564765603
Energy: 0.7979652226881991
Energy: 0.5827045692327221
Energy: 0.6336989669431825
Energy: 0.6948598536662098
Energy: 0.6798181787664556
Energy: 0.6333314149270385
Energy: 0.6351764046870748
Energy: 0.6322427744207092
Energy: 0.633022829118725
Energy: 0.6322324254501172
Energy: 0.7553520975569499
Energy: 0.6286424511162015
Energy: 0.596283909358866
Energy: 0.7531737265755422
Energy: 0.6312358555081041
Energy: 0.630340309343184
Energy: 0.6343789512742476
Energy: 0.5712228691885498
Energy: 0.5964706213333077
Energy: 0.6353471582491541
Energy: 0.5712892246731552
Energy: 0.5701937912730216
Energy: 0.6311603621553665
Energy: 0.6328483417163948
Energy: 0.6325698722614901
Energy: 0.6312655465141591
Energy: 0.6336941350353096
Energy: 0.5714361409594977
Energy: 0.560887352543966
Energy: 0.5648968406338247
Energy: 0.5626747878348954
Energy: 0.5649483917942981
Energy: 0.5636358055115153
Energy: 0.6328536063831092
Energy: 0.6327731104549845
Energy: 0.5651512967570453
Energy: 0.5630624407831674
Energy: 0.6323761666313928
Energy: 0.5628359476030282
Energy: 0.5705839977666356
Energy: 0.6366445510084466
Energy: 0.5621917858397577
Energy: 0.6022923320727902
Energy: 0.6374453880168063
Energy: 0.5656671069808904
Energy: 0.6347054989658658
Energy: 0.562103165162581
Energy: 0.6347355704676113
Energy: 0.5737686421599283
Energy: 0.5730442893928563
Energy: 0.5627180294046026
Energy: 0.5728954339851647
Energy: 0.5626964059397513
Energy: 0.5689382889767447
Energy: 0.5617425235514608
Energy: 0.5633723957678214
Energy: 0.5641040310399907
Energy: 0.561818526368894
Energy: 0.6016186898864152
Energy: 0.5766039928592746
Energy: 0.562568440343405
Energy: 0.56569036350726
Energy: 0.5617748332414108
Energy: 0.5626105962719001
Energy: 0.5616854957724133
Energy: 0.6103140587528553
Energy: 0.5620468457376099
Energy: 0.5617713227169073
Energy: 0.6692979182825558
Energy: 0.5622654463608941
Energy: 0.5620377289243391
Energy: 0.6153429532478029
Energy: 0.5620878606490891
Energy: 0.562104071091055
Energy: 0.5717062846216547
Energy: 0.562438389373066
Energy: 0.5429594091667908
Energy: 0.602219851317287
Energy: 0.5724016595222396
Energy: 0.5465521272819062
Energy: 0.6048872682084644
Energy: 0.5792763323776221
Energy: 0.543014708718327
Energy: 0.6311540048952684
Energy: 0.6335524382174703
Energy: 0.5430845581950919
Energy: 0.63559079013872
Energy: 0.5708292147950008
Energy: 0.5721971127959323
Energy: 0.6503654644790672
Energy: 0.5464307179960981
Energy: 0.5736742927506218
Energy: 0.5790134119578562
Energy: 0.5720803991216081
Energy: 0.7367246076303462
Energy: 0.5787731366439444
Energy: 0.5794188282649779
Energy: 0.7371939702952508
Energy: 0.5820497776464891
Energy: 0.6199079230397723
Energy: 0.7330926355542817
Energy: 0.6318441615365996
Energy: 0.6317373384523265
Energy: 0.631840493457886
Energy: 0.6317163261664585
Energy: 0.5653132668689201
Energy: 0.5776801265457413
Energy: 0.6416765995866134
Energy: 0.5800489605528732
Energy: 0.5826055476115503
Energy: 0.6404680932665701
Energy: 0.6159248048703081
Energy: 0.6801418346105645
Energy: 0.6331328477558624
Energy: 0.6344713127408594
Energy: 0.6800556194706194
Energy: 0.6328308462251864
Energy: 0.6356889275138013
Energy: 0.7331183044148947
Energy: 0.5977342272754466
Energy: 0.5706827011196528
Energy: 0.6414666480007326
Energy: 0.6436002079090901
Energy: 0.6292759443422676
Energy: 0.6339319538477505
Energy: 0.6283041856605778
Energy: 0.5965031651362924
Energy: 0.6340995495649179
Energy: 0.6307606078566034
Energy: 0.5704959469908273
Energy: 0.6316099454605278
Energy: 0.6333572068434475
Energy: 0.5721171497843078
Energy: 0.6313266964836148
Energy: 0.6341909400022057
Energy: 0.5717835044993799
Energy: 0.5606817844926482
Energy: 0.5624261873503128
Energy: 0.5629579927472521
Energy: 0.5633910432296276
Energy: 0.7278846194066864
Energy: 0.6431638027258
Energy: 0.6328791931341192
Energy: 0.5646787102296004
Energy: 0.5633909488878011
Energy: 0.6330648139905016
Energy: 0.5648492900730395
Energy: 0.6105440890949406
Energy: 0.6346005075079154
Energy: 0.5621095401533434
Energy: 0.6006193196950771
Energy: 0.6358727697305875
Energy: 0.5653124339172048
Energy: 0.6347108663728218
Energy: 0.6209241664464684
Energy: 0.562383861615379
Energy: 0.5739942356480929
Energy: 0.5645636660282555
Energy: 0.5803242062402318
Energy: 0.5738751196788618
Energy: 0.5624051859557052
Energy: 0.5618426600454048
Energy: 0.5617899220444508
Energy: 0.5636182352261006
Energy: 0.5653333347508438
Energy: 0.5619299080539887
Energy: 0.6026326032188658
Energy: 0.5619347350442782
Energy: 0.5635800278371024
Energy: 0.5676264694553418
Energy: 0.5627078728874491
Energy: 0.5627969144618046
Energy: 0.5620799549194835
Energy: 0.5619717521546582
Energy: 0.5625218141956624
Energy: 0.5621198430099288
Energy: 0.6673536311722809
Energy: 0.5623800831679466
Energy: 0.5682558473840648
Energy: 0.6150940902472166
Energy: 0.5625915118623498
Energy: 0.5619158388853093
Energy: 0.5717195288331189
Energy: 0.5620762490122215
Energy: 0.5438373337244667
Energy: 0.5706253646479335
Energy: 0.5723282703896619
Energy: 0.5453811442657976
Energy: 0.6024262635762424
Energy: 0.5794923819799483
Energy: 0.5431301254970617
Energy: 0.6314573307398063
Energy: 0.6321650809568437
Energy: 0.5433925278494339
Energy: 0.6359785414600273
Energy: 0.5698811775224178
Energy: 0.5719914062683092
Energy: 0.5905327956553972
Energy: 0.5640439744438783
Energy: 0.5721964683750924
Energy: 0.5788735740448808
Energy: 0.5718599296879925
Energy: 0.73417300457846
Energy: 0.5787252452432967
Energy: 0.5929736616118024
Energy: 0.7346831133782513
Energy: 0.5488095587459155
Energy: 0.6200685086432872
Energy: 0.7360410451729142
Energy: 0.6314777880246152
Energy: 0.6315649278103995
Energy: 0.6327879404388971
Energy: 0.6313745354360388
Energy: 0.5716457630230031
Energy: 0.5777315324458686
Energy: 0.6428337795852815
Energy: 0.5792442110967416
Energy: 0.5808235640751436
Energy: 0.641321141629502
Energy: 0.616296020591455

minimum gb energy = 0.5429594091667908 eV
minimum distance =  2.56205895884892 Angstroms
sigma value = 41


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

Energy: 0.8386833409582358
Energy: 0.8632355176785133
Energy: 0.8645758853717314
Energy: 0.7031749832858878
Energy: 1.020417784105635
Energy: 0.8647247563654725
Energy: 0.6958268256134869
Energy: 0.6562917959559684
Energy: 0.655782556959159
Energy: 0.6742274829448721
Energy: 0.6564569943970989
Energy: 0.6547550568448853
Energy: 0.7521539973177536
Energy: 0.6533983674106036
Energy: 0.6557053109952842
Energy: 0.7530048863556061
Energy: 0.6548478017096518
Energy: 0.6539748764286175
Energy: 0.6712712092840023
Energy: 0.6536159900869146
Energy: 0.6227329235162243
Energy: 0.6711561430229538
Energy: 0.6541299286958501
Energy: 0.6565270556144521
Energy: 0.6542671789514527
Energy: 0.6575495050372643
Energy: 0.6574163493126316
Energy: 0.6543523593642602
Energy: 0.6566587904222924
Energy: 0.63999550689342
Energy: 0.6919379013970847
Energy: 0.7956397660618694
Energy: 0.7014966631160588
Energy: 0.6254876945064325
Energy: 0.7990928015085851
Energy: 0.6546187993467774
Energy: 0.6531393413322591
Energy: 0.6403855666659496
Energy: 0.6388870208127184
Energy: 0.6533872014265826
Energy: 0.6401641096262246
Energy: 0.6554852985325573
Energy: 0.6560005324154308
Energy: 0.6547765788574637
Energy: 0.6541217612407381
Energy: 0.6570968467731381
Energy: 0.6277788757396097
Energy: 0.6537240615276484
Energy: 0.7529119419131111
Energy: 0.7625868803868031
Energy: 0.6249497966386013
Energy: 0.6099259958020045
Energy: 0.6539847864647991
Energy: 0.6240833036047467
Energy: 0.6938018886219596
Energy: 0.6592814819530561
Energy: 0.653091720721226
Energy: 0.6254778523068119
Energy: 0.6547841665132645
Energy: 0.6548426656213889
Energy: 0.6876906416992391
Energy: 0.6547498780686369
Energy: 0.6401716892887453
Energy: 0.6246729135891074
Energy: 0.6080662486779609
Energy: 0.6251565790551259
Energy: 0.7521970539202696
Energy: 0.6687464252672991
Energy: 0.69776321186725
Energy: 0.7522840142373302
Energy: 0.6075277885308434
Energy: 0.7071684422091425
Energy: 0.7619500583365983
Energy: 0.6539000149820954
Energy: 0.6739677747885509
Energy: 0.6725145973484433
Energy: 0.6543031593451858
Energy: 0.6542798105099458
Energy: 0.6065170334075897
Energy: 0.6753613242549525
Energy: 0.6224776992467997
Energy: 0.6132140510322613
Energy: 0.7903406466339067
Energy: 0.60803903691882

minimum gb energy = 0.6065170334075897 eV
minimum distance =  2.59049797714497 Angstroms
sigma value = 11


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

Energy: 0.6904354373101135
Energy: 0.8971730847174857
Energy: 0.7802874992420171
Energy: 0.8431584789619995
Energy: 0.8604582044795217
Energy: 0.8377900467397698
Energy: 0.8118749771575036
Energy: 0.7043044428363665
Energy: 0.7043056650186945
Energy: 0.7836881068416317
Energy: 0.704128469433126
Energy: 0.7052544176841082
Energy: 0.8026013403045137
Energy: 0.7287287753966765
Energy: 0.7291823959129696
Energy: 0.8028804592737047
Energy: 0.7283226923669948
Energy: 0.7576945579791532
Energy: 0.7701684989008436
Energy: 0.6864893715956426
Energy: 0.726502248455189
Energy: 0.7573905388514163
Energy: 0.7390763723855297
Energy: 0.731167037200595
Energy: 0.7787577192656259
Energy: 0.7038525594930438
Energy: 0.7037926297676953
Energy: 0.743559347148684
Energy: 0.7050055890674272
Energy: 0.7038142547952216
Energy: 0.7788028104251502
Energy: 0.7230769971477471
Energy: 0.722506019613155
Energy: 0.7044222239984256
Energy: 0.722758143864802
Energy: 0.7289045153968067
Energy: 0.7224653417374411
Energy: 0.7287655163863821
Energy: 0.7229051141165702
Energy: 0.72254515459458
Energy: 0.7082332996979942
Energy: 0.7228516896053675
Energy: 0.7118572062167613
Energy: 0.7496170170848215
Energy: 0.7046148688701744
Energy: 0.7052834086800389
Energy: 0.7669919088168309
Energy: 0.7040016940752434
Energy: 0.720184840140851
Energy: 0.7303959685570937
Energy: 0.7304295417381955
Energy: 0.7260587414114161
Energy: 0.7566819766917664
Energy: 0.691178584401446
Energy: 0.6967917218419782
Energy: 0.7584600303610232
Energy: 0.7305746798034263
Energy: 0.7242815544799359
Energy: 0.7884777760621053
Energy: 0.6911548534957019
Energy: 0.7118957105059934
Energy: 0.7588430356591565
Energy: 0.7048957959462556
Energy: 0.7052500139730107
Energy: 0.7271549706892347
Energy: 0.704188133238707
Energy: 0.7130368527229691
Energy: 0.7837998179227547
Energy: 0.8234489229807014
Energy: 0.7137404275854026
Energy: 0.7947684851397717
Energy: 0.8379051659808754
Energy: 0.7036992604714624
Energy: 0.7834807361273323
Energy: 0.7511746111745103
Energy: 0.7039030302265179
Energy: 0.7796852160396326
Energy: 0.7049942235733428
Energy: 0.7439875793689917
Energy: 0.8778451407336784
Energy: 0.7887640947110588
Energy: 0.733551039468323
Energy: 0.8765250864710714
Energy: 0.7652329798657433
Energy: 0.6883190061629159
Energy: 0.6896485267688477
Energy: 0.6880536957119291
Energy: 0.6883608964756603
Energy: 0.7478159860426056
Energy: 0.6884668412548682
Energy: 0.6884138237777055
Energy: 0.6882694539885739
Energy: 0.687724102471414
Energy: 0.6898233444442792
Energy: 0.759306664291409
Energy: 0.6883646524791202
Energy: 0.6877404715470447
Energy: 0.6894652120798533
Energy: 0.6879663906516356
Energy: 0.6879857267033243
Energy: 0.7627639587937742
Energy: 0.7202987617633748
Energy: 0.7783106223302775
Energy: 0.7709664666473598
Energy: 0.7233466726633783
Energy: 0.7456607962460677
Energy: 0.8015557505125538
Energy: 0.7454956261454211
Energy: 0.7288614518465495
Energy: 0.7301012355187174
Energy: 0.7356036264488598
Energy: 0.7288160879464202
Energy: 0.7315948061108037
Energy: 0.7418360318312378
Energy: 0.7711940379996896
Energy: 0.756208277877358
Energy: 0.8371490835981185
Energy: 0.7723365327845302
Energy: 0.6884630501074269
Energy: 0.7482317545438364
Energy: 0.7842983957890317
Energy: 0.6885325157714792
Energy: 0.7558874122324707
Energy: 0.7555351342881443
Energy: 0.7507442618991869
Energy: 0.7364731379824443
Energy: 0.7095108534564352
Energy: 0.7364637752240223
Energy: 0.7360744100128841
Energy: 0.7022192595683936
Energy: 0.7359974131845122
Energy: 0.7406947243584752
Energy: 0.7060551807059571
Energy: 0.7403277510630731
Energy: 0.775608664960498
Energy: 0.7270477736382718
Energy: 0.7737070354788362
Energy: 0.7533149589422589
Energy: 0.7705368344141803
Energy: 0.7288994709789549
Energy: 0.7390037751312571
Energy: 0.7304040867411511
Energy: 0.7286277331713138
Energy: 0.7293294128472649
Energy: 0.7980427476404319
Energy: 0.743687887208769
Energy: 0.7460488435811777
Energy: 0.7994524809995214
Energy: 0.7249140863318593
Energy: 0.7128518681917138
Energy: 0.7932775746703791
Energy: 0.6890088475883364
Energy: 0.7229682025946339
Energy: 0.7632403326628312
Energy: 0.6879651204675394
Energy: 0.6894263609173606
Energy: 0.7910153372406062
Energy: 0.6876280559412027
Energy: 0.6880288607476484
Energy: 0.7488051651679292
Energy: 0.6902444061311815
Energy: 0.6882598678547794
Energy: 0.7915896274640268
Energy: 0.6880590323729326
Energy: 0.7076083551588819
Energy: 0.7474289146627182
Energy: 0.6883523553048632
Energy: 0.6880486655536553
Energy: 0.8764673970350554
Energy: 0.7478211621684558
Energy: 0.7484314306054236
Energy: 0.8768114841774223
Energy: 0.7104139194379712
Energy: 0.7710233704236209
Energy: 0.8575276325624895
Energy: 0.7043197388332747
Energy: 0.704647445542396
Energy: 0.7776073168233626
Energy: 0.7040578332445424
Energy: 0.7919119150585251
Energy: 0.6887253566336506
Energy: 0.7097279498855871
Energy: 0.8075884575745227
Energy: 0.6893229748401237
Energy: 0.7146737778288416
Energy: 0.7546914308742455

minimum gb energy = 0.6864893715956426 eV
minimum distance =  2.53732057216855 Angstroms
sigma value = 57


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

Energy: 1.0431550892201484
Energy: 0.8488774200123258
Energy: 0.8453872231242737
Energy: 0.8433830495860546
Energy: 1.1172048399773966
Energy: 0.8436729297933647
Energy: 0.6371879311153648
Energy: 0.6593653651492069
Energy: 0.661094634270435
Energy: 0.678133189988188
Energy: 0.6820456457211485
Energy: 0.6605210778093114
Energy: 0.7536595011390126
Energy: 0.7796067206499221
Energy: 0.7359884275833646
Energy: 0.7506691188138365
Energy: 0.7826060960581165
Energy: 0.742188582635292
Energy: 0.6772299159843986
Energy: 0.6614930840202237
Energy: 0.6585561618104068
Energy: 0.677876088434279
Energy: 0.6730132911970608
Energy: 0.6589812581735979
Energy: 0.6987511965495488
Energy: 0.681866232986403
Energy: 0.6590799286547302
Energy: 0.69959609472356
Energy: 0.7433948267894275
Energy: 0.6595532742718693
Energy: 0.677357365757131
Energy: 0.7513667697659812
Energy: 0.7507434711787138
Energy: 0.6790145712737213
Energy: 0.7509976359351289
Energy: 0.7439002167767929
Energy: 0.7517006263894647
Energy: 0.7184093348999065
Energy: 0.6495314911299741
Energy: 0.7532502381849265
Energy: 0.7039020747496718
Energy: 0.750368646222618
Energy: 0.7791188409135498
Energy: 0.6590368647911601
Energy: 0.6597936207835853
Energy: 0.680153424783748
Energy: 0.7022364846887585
Energy: 0.6588198763222931
Energy: 0.6374270248757231
Energy: 0.7479881195476129
Energy: 0.8378175466733784
Energy: 0.6375539088911591
Energy: 0.7433054352900568
Energy: 0.6373179738047048
Energy: 0.6381594148494745
Energy: 0.7454232571630593
Energy: 0.7766077349026583
Energy: 0.6412982570950527
Energy: 0.7514137957393462
Energy: 0.6383189741124364
Energy: 0.7790929089394752
Energy: 0.6594488209723071
Energy: 0.6599937524762937
Energy: 0.6804273594594116
Energy: 0.7028605244566143
Energy: 0.6588017403210337
Energy: 0.742006096988925
Energy: 0.7902795638009799
Energy: 0.7371108155139082
Energy: 0.7427645141532233
Energy: 0.7827436473075755
Energy: 0.7421994375972121
Energy: 0.6766410000664109
Energy: 0.6591195183178492
Energy: 0.6607754202422704
Energy: 0.6771744834660153
Energy: 0.6789089808454647
Energy: 0.6833103620920892
Energy: 0.6772679360428764
Energy: 0.7528073781017888
Energy: 0.7508907324197925
Energy: 0.7894051465881801
Energy: 0.7528808307751099
Energy: 0.7430734308307859
Energy: 0.7007960599790436
Energy: 0.7072727603566297
Energy: 0.6606352428390724
Energy: 0.7012077854721136
Energy: 0.7030927124570668
Energy: 0.659157781184416
Energy: 0.7514045610560024
Energy: 0.7081778928048196
Energy: 0.6378618525419719
Energy: 0.7517134727788969
Energy: 0.703124328924399
Energy: 0.7422996778347281
Energy: 0.6370946629233082
Energy: 0.6602523418882842
Energy: 0.6609785764143753
Energy: 0.6374071566978113
Energy: 0.678785839828634
Energy: 0.6602627035912184

minimum gb energy = 0.6370946629233082 eV
minimum distance =  2.57948081879954 Angstroms
sigma value = 9


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

Energy: 1.156290784550502
Energy: 0.8727482928740009
Energy: 0.7857457758390765
Energy: 0.7946211581175002
Energy: 0.8435307677198213
Energy: 0.7812386858097153
Energy: 0.8640920147925605
Energy: 0.7594666664228275
Energy: 0.7602508363680555
Energy: 0.7436214919707356
Energy: 0.7375098080153755
Energy: 0.7477964880482683
Energy: 0.7689480467709943
Energy: 0.7204973551082132
Energy: 0.7766316159045527
Energy: 0.769480601754464
Energy: 0.7406038921059359
Energy: 0.7924135719411256
Energy: 0.7346019901295239
Energy: 0.7436074376899298
Energy: 0.7706256736676103
Energy: 0.7298037220357767
Energy: 0.7431361498510161
Energy: 0.7443426741076101
Energy: 0.7957565808948013
Energy: 0.7331419956392121
Energy: 0.7180315051805158
Energy: 0.7149319680449859
Energy: 0.750524185544843
Energy: 0.7153945466288372
Energy: 0.7598286396842338
Energy: 0.759901882822922
Energy: 0.7577624120585316
Energy: 0.7544544256616172
Energy: 0.751839784680865
Energy: 0.7569341442615777
Energy: 0.764597077110588
Energy: 0.7008656421205969
Energy: 0.7271341390339481
Energy: 0.7649627630803554
Energy: 0.7587585655127683
Energy: 0.7625018232485687
Energy: 0.7490778254266064
Energy: 0.7527595553800471
Energy: 0.7576834747432459
Energy: 0.728644151635529
Energy: 0.7538539405989035
Energy: 0.7745327191191931
Energy: 0.745188971153499
Energy: 0.7633913437271723
Energy: 0.725345055112266
Energy: 0.7966054479809699
Energy: 0.7607966983204372
Energy: 0.741117925384276
Energy: 0.7447689126198203
Energy: 0.7295202870061437
Energy: 0.7248384968964326
Energy: 0.7750253296399314
Energy: 0.7271248648212927
Energy: 0.7250106688630384
Energy: 0.7494541856659448
Energy: 0.7469300330049139
Energy: 0.7160343942355768
Energy: 0.7382343840165274
Energy: 0.7586414993805088
Energy: 0.7164458419130431
Energy: 0.749279361561702
Energy: 0.7448252247708058
Energy: 0.7509729398869396
Energy: 0.7379976619980917
Energy: 0.7451368417220947
Energy: 0.7624688620468597
Energy: 0.9601082474773421
Energy: 0.7291429327295618
Energy: 0.7292192766837795
Energy: 0.7758678100041307
Energy: 0.7291909798885888
Energy: 0.7409766219474987
Energy: 0.7478825072710555
Energy: 0.7585348301365809
Energy: 0.7425501346855634
Energy: 0.7278429669698329
Energy: 0.7296712314647935
Energy: 0.7461476541959354
Energy: 0.786581442849447
Energy: 0.7233237808974662
Energy: 0.7507493085770361
Energy: 0.7876718203576073
Energy: 0.7588354233431376
Energy: 0.77516484672427
Energy: 0.7771789204568065
Energy: 0.7920810704059847
Energy: 0.8107884609459844
Energy: 0.7782796737280251
Energy: 0.7642427046128707
Energy: 0.7834566630748194
Energy: 0.7480852508355572
Energy: 0.7439356709336756
Energy: 0.7702554116584662
Energy: 0.7395067523331312
Energy: 0.7179712388069428
Energy: 0.7442774515820951
Energy: 0.8876076625558602
Energy: 0.7407778060192185
Energy: 0.7275960835775436
Energy: 0.7442620618897094
Energy: 0.7394894239569993
Energy: 0.7190319556957706
Energy: 0.7370676472265011
Energy: 0.7451948415065799
Energy: 0.7447278009083241
Energy: 0.7370867646193857
Energy: 0.7273822070217774
Energy: 0.7479549650858685
Energy: 0.7381724648626216
Energy: 0.7449341971305543
Energy: 0.7458280246115644
Energy: 0.7390217647103583
Energy: 0.743518769229158
Energy: 0.7447605114967211
Energy: 0.7410148920117706
Energy: 0.7377698926616054
Energy: 0.7602177223883504
Energy: 0.7526340239677578
Energy: 0.7428463835580787
Energy: 0.7622390796471009

minimum gb energy = 0.7008656421205969 eV
minimum distance =  2.55955993310512 Angstroms
sigma value = 27


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

Energy: 0.7306513388696232
Energy: 0.6716359064899858
Energy: 0.6661393512801761
Energy: 0.7306760692172326
Energy: 1.0389298180699282
Energy: 0.6678874220939947
Energy: 0.6663125418018955
Energy: 0.6786057135938807
Energy: 0.679218228876609
Energy: 0.6944404912721102
Energy: 0.6779167419949116
Energy: 0.6783759567912181
Energy: 0.7197835571666071
Energy: 0.6918941646878064
Energy: 0.6913609807767533
Energy: 0.7195545464807432
Energy: 0.733300734965292
Energy: 0.6916571303230654
Energy: 0.6789396794400151
Energy: 0.6920176288578405
Energy: 0.6795210056751454
Energy: 0.6795636725210562
Energy: 0.6939504598168938
Energy: 0.6792475892898056
Energy: 0.7528546624989981
Energy: 0.6833718042245708
Energy: 0.677022694883925
Energy: 0.7525262996582506
Energy: 0.6845810066515685
Energy: 0.6747947126893585
Energy: 0.714137033800443
Energy: 0.6933852623054347
Energy: 0.6915631765705651
Energy: 0.6967139373009007
Energy: 0.6938453325361689
Energy: 0.6908220569129463
Energy: 0.6787492842423928
Energy: 0.6657180860138241
Energy: 0.6666649764170223
Energy: 0.6797010479913534
Energy: 0.666440110768329
Energy: 0.6675884314156281
Energy: 0.6801605600605497
Energy: 0.7097280375427916
Energy: 0.6793930073325734
Energy: 0.6810400149173909
Energy: 0.7296060386029805
Energy: 0.6792540243204108
Energy: 0.7783873892505011
Energy: 0.6987989419420992
Energy: 0.6927183179273042
Energy: 0.6932995616561077
Energy: 0.6993115405244092
Energy: 0.691609834800486
Energy: 0.7803239910238758
Energy: 0.6956948699384289
Energy: 0.6930770417471475
Energy: 0.6773562013267889
Energy: 0.694264488421426
Energy: 0.6918291205733016
Energy: 0.6804910110885358
Energy: 0.6776625347808133
Energy: 0.6783199790635828
Energy: 0.6808960986536623
Energy: 0.6843373895312886
Energy: 0.6783700263716238
Energy: 0.6807513603828975
Energy: 0.6933368307684712
Energy: 0.6915334756789138
Energy: 0.6772377717081102
Energy: 0.6962082755022935
Energy: 0.6919406926462508
Energy: 0.7366455700493723
Energy: 0.6828518602670857
Energy: 0.6676785348482716
Energy: 0.6658899672780441
Energy: 0.678415133003323
Energy: 0.667148020918159
Energy: 0.735401277136562
Energy: 0.6797940562054205
Energy: 0.6779578519476295
Energy: 0.666050199322831
Energy: 0.6809436776104453
Energy: 0.6701619700268872
Energy: 0.7204332036980989
Energy: 0.6788465656921316
Energy: 0.6781715880396307
Energy: 0.7211783967714809
Energy: 0.6771982030923397
Energy: 0.6775002908366605
Energy: 0.7140332845267405
Energy: 0.691811577756454
Energy: 0.69109071086861
Energy: 0.7138974424714043
Energy: 0.6933877681666514
Energy: 0.6920414905473705
Energy: 0.7011901930653751
Energy: 0.6788545940856648
Energy: 0.679296236455181
Energy: 0.680886377967753
Energy: 0.6822002161244901
Energy: 0.6799910123257201
Energy: 0.7185000507064693
Energy: 0.678963890134661
Energy: 0.6797872443457272
Energy: 0.6957786235001122
Energy: 0.6825695215360446
Energy: 0.6787486462076261
Energy: 0.675550012231282
Energy: 0.6658963887673839
Energy: 0.6687895955371242
Energy: 0.6769929614395075
Energy: 0.666103344316194
Energy: 0.6682799185379128
Energy: 0.6822512416660248
Energy: 0.6658610646171373
Energy: 0.6689495068216513
Energy: 0.6831888483565751
Energy: 0.6690615324324449
Energy: 0.6683517241456388
Energy: 0.7972161715690376
Energy: 0.6781029632123682
Energy: 0.6785805906392051
Energy: 0.6939772125340435
Energy: 0.681505769516429
Energy: 0.6801139460751396
Energy: 0.7095359493619585
Energy: 0.6949609238555892
Energy: 0.6925549714364891
Energy: 0.7095384902551348
Energy: 0.693670678459368
Energy: 0.6919533031283213
Energy: 0.68102728593686
Energy: 0.6935885277835006
Energy: 0.6923105504650747
Energy: 0.6822605526951014
Energy: 0.6940084541970478
Energy: 0.6793280801260154
Energy: 0.6838268349180652
Energy: 0.6742371434711797
Energy: 0.6749683941971635
Energy: 0.68130646676405
Energy: 0.6741668857016663
Energy: 0.6776285990405463
Energy: 0.732786611153403
Energy: 0.6776305121431478
Energy: 0.6785174943232877
Energy: 0.6666419824290636
Energy: 0.6805968421966444
Energy: 0.6697706048454222

minimum gb energy = 0.6657180860138241 eV
minimum distance =  2.63949948304213 Angstroms
sigma value = 19


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

Energy: 1.096131600526701
Energy: 0.8442604453353102
Energy: 0.8577327326163579
Energy: 0.8217402841541154
Energy: 0.7473064263716274
Energy: 0.8604069424074391
Energy: 0.7367948635587708
Energy: 0.7375417051472959
Energy: 0.7374082391153932
Energy: 0.7404521301312365
Energy: 0.7391547565391416
Energy: 0.7383890842206747
Energy: 0.7516049585486939
Energy: 0.7338808112537938
Energy: 0.7359145890765663
Energy: 0.747092313365854
Energy: 0.7418313839926799
Energy: 0.7361083509275519
Energy: 0.7540867897504918
Energy: 0.7923102727167071
Energy: 0.7340092795692862
Energy: 0.7389809707918373
Energy: 0.741065400137945
Energy: 0.7389399455968435
Energy: 0.7815792612733607
Energy: 0.7492023663878571
Energy: 0.7527020624797638
Energy: 0.7497071155118374
Energy: 0.7473240014769909
Energy: 0.7398278172657853
Energy: 0.7539398284255385
Energy: 0.7374075767589616
Energy: 0.7914795719063431
Energy: 0.7397069836898863
Energy: 0.7412822076275584
Energy: 0.7851545205320791
Energy: 0.7766268214417226
Energy: 0.7987565913758329
Energy: 0.7985053257371018
Energy: 0.7538741006184224
Energy: 0.7979225543235452
Energy: 0.8015350940535009
Energy: 0.7950387177292989
Energy: 0.74216411702851
Energy: 0.7420746707152761
Energy: 0.7959454790050801
Energy: 0.7731885825457212
Energy: 0.7969214790432876
Energy: 0.767957836397287
Energy: 0.7417805150636158
Energy: 0.7481867102644808
Energy: 0.7384061631170529
Energy: 0.7471945305927513
Energy: 0.7452421851308718
Energy: 0.768384505168742
Energy: 0.7564709251009397
Energy: 0.746393025388214
Energy: 0.7423153120343694
Energy: 0.7568016831587434
Energy: 0.7462985555314013
Energy: 0.7445278738459948
Energy: 0.7238748912313593
Energy: 0.7314178845566185
Energy: 0.7451402731345806
Energy: 0.7199493451381784
Energy: 0.7337830327479585
Energy: 0.7347765022248544
Energy: 0.7846344899822654
Energy: 0.7101014795442245
Energy: 0.7355539342956369
Energy: 0.7481352576026163
Energy: 0.712933009132278
Energy: 0.7848741576948084
Energy: 0.7426999384604912
Energy: 0.8118332329335116
Energy: 0.7501100667569869
Energy: 0.7595596374012749
Energy: 0.7521461414880152
Energy: 0.7863077452603808
Energy: 0.7464001224379913
Energy: 0.7490396084084127
Energy: 0.7476919403515326
Energy: 0.7452052122109615
Energy: 0.7470368552484611
Energy: 0.7340415218314617
Energy: 0.7182277031130172
Energy: 0.713164773586796
Energy: 0.7347260376213043
Energy: 0.7233114514076895
Energy: 0.712978250501703
Energy: 0.7346199108161137
Energy: 0.7138191159307177
Energy: 0.7158532687007582
Energy: 0.7358343583510012
Energy: 0.7157683260599247
Energy: 0.7190811586456669
Energy: 0.9473317212151275
Energy: 0.7508512861862631
Energy: 0.7562341257754863
Energy: 0.7242045324525804
Energy: 0.7484003648651973
Energy: 0.750720188456397
Energy: 0.76519580324757
Energy: 0.7253652094919004
Energy: 0.7190469969741097
Energy: 0.7595372027393353
Energy: 0.7357058880304511
Energy: 0.719352189676561
Energy: 0.7640003164577228
Energy: 0.7350017165888435
Energy: 0.7267307478588145
Energy: 0.755499262835834
Energy: 0.7346797151704122
Energy: 0.7237974956250959
Energy: 0.7476019530938877
Energy: 0.7296350808908658
Energy: 0.7268530749185561
Energy: 0.7482120645592776
Energy: 0.7341858033898694
Energy: 0.7243739016981865
Energy: 0.7512776763237298
Energy: 0.7190250128389799
Energy: 0.7187528988790329
Energy: 0.7540142487076406
Energy: 0.7357451994619395
Energy: 0.7156492662003829
Energy: 0.7615188907555733
Energy: 0.7127263065119684
Energy: 0.7127088598154803
Energy: 0.7497810817851015
Energy: 0.7332115438038518
Energy: 0.7090559613056041
Energy: 0.7656161450905096
Energy: 0.7481533408983048
Energy: 0.7485183261628586
Energy: 0.7667948533890343
Energy: 0.7493001627049934
Energy: 0.7335678070283316
Energy: 0.7514306467274772
Energy: 0.7012209318544437
Energy: 0.725540268608192
Energy: 0.751550116266578
Energy: 0.7523209147614948
Energy: 0.7356691569295234
Energy: 0.7888168057924118
Energy: 0.7229010471042017
Energy: 0.7135507780966999
Energy: 0.7595909578504629
Energy: 0.7356784699807984
Energy: 0.709596935719073
Energy: 0.7756798860678492
Energy: 0.7369721563441751
Energy: 0.7346301270542398
Energy: 0.7390495606655647
Energy: 0.7351656855638682
Energy: 0.7349842148462353
Energy: 0.7501116221656282
Energy: 0.7369094867592503
Energy: 0.7424300466588869
Energy: 0.7463983764407185
Energy: 0.7370573572420882
Energy: 0.747483733947284
Energy: 0.7497439236568103
Energy: 0.7415749460692045
Energy: 0.7437585207431463
Energy: 0.7460966498864161
Energy: 0.7426893033880005
Energy: 0.7364397506100869
Energy: 0.7715457859386547
Energy: 0.7973699892693856
Energy: 0.7978941454646145
Energy: 0.7447942889587816
Energy: 0.7955260004622766
Energy: 0.7446915489155401

minimum gb energy = 0.7012209318544437 eV
minimum distance =  2.55763656756132 Angstroms
sigma value = 101


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

Energy: 1.03908021343748
Energy: 0.7498709791229217
Energy: 0.7483532111858439
Energy: 0.729935933055849
Energy: 0.7457062147799901
Energy: 0.7325354349540499
Energy: 0.7855577412781137
Energy: 0.7296012320109218
Energy: 0.7293772805095768
Energy: 0.779718561514484
Energy: 0.7545914950420386
Energy: 0.7286631426376271
Energy: 0.7502960982282176
Energy: 0.732147168892017
Energy: 0.7424757564566942
Energy: 0.7437176923978669
Energy: 0.7317758221318383
Energy: 0.7448147776290599
Energy: 0.7552084812306545
Energy: 0.7713563294585822
Energy: 0.7408568365577893
Energy: 0.7351676815150834
Energy: 0.7363755628101134
Energy: 0.7296955646250891
Energy: 0.7495452197748833
Energy: 0.7427674610751721
Energy: 0.7448489214992305
Energy: 0.7524318226382912
Energy: 0.7421796034980007
Energy: 0.750604076497415
Energy: 0.7537175568088339
Energy: 0.7307427368835022
Energy: 0.7712676869227585
Energy: 0.7540596936679708
Energy: 0.7297906417258264
Energy: 0.7710506975279561
Energy: 0.7724500341240459
Energy: 0.7399588314829112
Energy: 0.7376972441862596
Energy: 0.7647111179961511
Energy: 0.7423804266775849
Energy: 0.7391701462935457
Energy: 0.7561978354577492
Energy: 0.7696025929381834
Energy: 0.7394619155778476
Energy: 0.7572566218843861
Energy: 0.753787272818669
Energy: 0.753559668243806
Energy: 0.7358060766293103
Energy: 0.729790395485464
Energy: 0.7315264199573598
Energy: 0.7361598221021145
Energy: 0.7421562053490337
Energy: 0.7432953883929202
Energy: 0.7342503839458575
Energy: 0.7328877589715094
Energy: 0.7334897525191629
Energy: 0.7337207916173056
Energy: 0.7323306904658676
Energy: 0.7423792617395395
Energy: 0.8242478190946562
Energy: 0.7134816724963793
Energy: 0.7269477071322517
Energy: 0.8251380897391261
Energy: 0.7134068040081061
Energy: 0.7203232291223818
Energy: 0.7496312252553187
Energy: 0.7529933917275661
Energy: 0.744692109032473
Energy: 0.7489097336437864
Energy: 0.7557464281801448
Energy: 0.7347941733813912
Energy: 0.746191663899143
Energy: 0.7429233652489239
Energy: 0.7298059470340436
Energy: 0.742907376367634
Energy: 0.7412349325556209
Energy: 0.7293445476774492
Energy: 0.7449371199534245
Energy: 0.7308516530307161
Energy: 0.7329898591655244
Energy: 0.7447938721570108
Energy: 0.7357454237378185
Energy: 0.7440786474568302
Energy: 0.7484292870997827
Energy: 0.7392992329921224
Energy: 0.7433372664561654
Energy: 0.743385028202985
Energy: 0.7369061614791467
Energy: 0.7438193762938893
Energy: 0.7489929587847849
Energy: 0.7438640040545774
Energy: 0.7424422330894594
Energy: 0.740079809080669
Energy: 0.7427381894008479
Energy: 0.7301374623516149
Energy: 1.0393709926324968
Energy: 0.8120777711539467
Energy: 0.7491261444224877
Energy: 0.7129119304290741
Energy: 0.8150749174033673
Energy: 0.7124254669269328
Energy: 0.8087586658282427
Energy: 0.7286129066953008
Energy: 0.7291431029024884
Energy: 0.7509146190470913
Energy: 0.7527609546479775
Energy: 0.7495738498824481
Energy: 0.7488488017693183
Energy: 0.7421189448758011
Energy: 0.7285953036819908
Energy: 0.7425167563425816
Energy: 0.7366354112587696
Energy: 0.7301652582419632
Energy: 0.7530522722429774
Energy: 0.741754374112483
Energy: 0.7295840007941116
Energy: 0.7535846552917015
Energy: 0.7364979597061125
Energy: 0.7301358861389402
Energy: 0.7521601820320899
Energy: 0.7448216003441608
Energy: 0.7366527413363689
Energy: 0.7547865937779163
Energy: 0.7448797492020658
Energy: 0.749268510554961
Energy: 0.7718195601050235
Energy: 0.729479798654303
Energy: 0.7301728464027529
Energy: 0.7726851855223507
Energy: 0.7403654627670444
Energy: 0.7291714562285235
Energy: 0.7525175461172391
Energy: 0.7356320545299263
Energy: 0.7403982189603368
Energy: 0.7608457583714128
Energy: 0.7344929963581218
Energy: 0.7335159170630696
Energy: 0.7549773203387753
Energy: 0.7376293699621855
Energy: 0.7432264778127424
Energy: 0.7556009051379502
Energy: 0.7357462946457065
Energy: 0.8251133594090659
Energy: 0.7400011806697886
Energy: 0.7302406334187999
Energy: 0.7298141879513838
Energy: 0.7426781595052164
Energy: 0.7402949446304388
Energy: 0.742613386449567
Energy: 0.7352759439134582
Energy: 0.7412438920771162
Energy: 0.7416595979066758
Energy: 0.7361404444894849
Energy: 0.7369564333642291
Energy: 0.7435659038203984
Energy: 0.7443147057522091
Energy: 0.7323317102607719
Energy: 0.7032728699616305
Energy: 0.7456522713991591
Energy: 0.7176516369885712
Energy: 0.7088864044070263
Energy: 0.7524396421292338
Energy: 0.7216410492272656
Energy: 0.7330391993034505
Energy: 0.7427258393682289
Energy: 0.7153651072891479
Energy: 0.7451548050232071
Energy: 0.7457412421313158
Energy: 0.7511310502292704
Energy: 0.736997765834632
Energy: 0.731383614940558
Energy: 0.7594122033949919
Energy: 0.7447071884661643
Energy: 0.7460753626508685
Energy: 0.7319283107884659
Energy: 0.729189762200025
Energy: 0.732438971894361
Energy: 0.7333841442266706
Energy: 0.7316003772976638
Energy: 0.7488074620907134
Energy: 0.7376778594113729
Energy: 0.7443999999078015
Energy: 0.7419506367560125
Energy: 0.7350766394592735
Energy: 0.7327882866649726
Energy: 0.7482887617465135
Energy: 0.7363675261329551
Energy: 0.742421992066704
Energy: 0.7404973461208307
Energy: 0.734056826933029
Energy: 0.7297732212326181
Energy: 0.7438497763537177
Energy: 0.7518349104868866
Energy: 0.7466333823556374
Energy: 0.7121375842926395
Energy: 0.7346281571080578
Energy: 0.763442949023329

minimum gb energy = 0.7032728699616305 eV
minimum distance =  2.56656382342276 Angstroms
sigma value = 33


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

Energy: 0.014783253657253182
Energy: 0.016080803476795243
Energy: 0.015524775543686945
Energy: 0.01657126966655905
Energy: 0.5317599016063013
Energy: 0.015339318841460501
Energy: 0.015454158371465843
Energy: 0.10867979233843554
Energy: 0.1076549702718013
Energy: 0.10712221258789614
Energy: 0.11033749355272686
Energy: 0.10725457234295654
Energy: 0.8159034360288366
Energy: 0.5303385095833473
Energy: 0.5294479837116308
Energy: 0.5296294285232286
Energy: 0.5333555418589131
Energy: 0.5293403765530431
Energy: 0.3915575641409765
Energy: 0.10867979233805031
Energy: 0.1076549702718013
Energy: 0.10712221258789614
Energy: 0.11033749355309071
Energy: 0.10725457234295654

minimum gb energy = 0.014783253657253182 eV
minimum distance =  2.71027468891375 Angstroms
sigma value = 1