Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032988503575325
cohesive_energy=2.9236454478732066
mass=26.981538
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=[1.5339527485710118e-19, 2.0736331303208398e-19, 2.476965076164e-19, 2.80163014927776e-19, 3.0726543486852e-19, 3.30372026284068e-19, 3.5033514714370797e-19, 3.6772837668241203e-19, 3.8296667864838596e-19, 3.9634966007218794e-19, 4.0814168009842795e-19, 4.18506160743774e-19, 4.27590502258554e-19, 4.3552127659685395e-19, 4.424010230632499e-19, 4.48316259195978e-19, 4.53353502533274e-19, 4.5757363578723e-19, 4.610263264335e-19, 4.63764446301006e-19, 4.658344585121339e-19, 4.67270008776198e-19, 4.68109549332414e-19, 4.68383521536828e-19, 4.6809993627261e-19, 4.671626629417199e-19, 4.654547426498759e-19, 4.628399903831879e-19, 4.591581884782559e-19, 4.542042583259279e-19, 4.47741077784372e-19, 4.394978790024419e-19, 4.2910295700104993e-19, 4.16130132795552e-19, 4.0004107503692395e-19, 3.8017248259869e-19, 3.55692825807804e-19, 3.25533452849388e-19, 2.88337320114444e-19, 2.42354850718644e-19, 1.85264490719322e-19, 1.139971105563876e-19, 2.4425503220656798e-20, -8.9175549271806e-20, -2.34794179182798e-19, -4.2400002442175997e-19, -6.738819009669359e-19, -1.010491200887166e-18, -1.4752650184675917e-18, -2.1373036297559998e-18, -3.1189892969404794e-18, -4.6540827952749e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.009059169848988228
Energy: 0.49294030671879174
Energy: 0.009478441257732078
Energy: 0.0093220113343915
Energy: 0.49307183319861797
Energy: 0.009312182709680879
Energy: 0.4929403067141023
Energy: 0.09149375875014097
Energy: 0.09184126082448807
Energy: 0.09132665849911747
Energy: 0.091455085063337
Energy: 0.09173017875248199
Energy: 0.009478441260195793
Energy: 0.09184126082448807
Energy: 0.09167752900745713
Energy: 0.009508968442245308
Energy: 0.0914151099886582
Energy: 0.09149421900710095
Energy: 0.009322011335623355
Energy: 0.09132665849911747
Energy: 0.009508968442497278
Energy: 0.009286290159662723
Energy: 0.0916025200271719
Energy: 0.009329262267861637
Energy: 0.49307183319640624
Energy: 0.091455085063337
Energy: 0.0914151099879163
Energy: 0.09160252002840376
Energy: 0.09148611992501002
Energy: 0.09131301666985348
Energy: 0.009312182709932849
Energy: 0.09173017875175407
Energy: 0.09149421900637301
Energy: 0.009329262268351578
Energy: 0.09131301666936355
Energy: 0.009167835386518027

minimum gb energy = 0.009059169848988228 eV
minimum distance =  2.84841741050447 Angstroms
sigma value = 1


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

Energy: 1.3660934787375976
Energy: 0.7277263127569564
Energy: 0.673003879859255
Energy: 0.742267380173348
Energy: 0.6700861629831589
Energy: 0.67959143409961
Energy: 1.1699763429802197
Energy: 0.6872241023738834
Energy: 0.6873790069176909
Energy: 0.686782306609534
Energy: 0.6887511457835142
Energy: 0.6871850432999254
Energy: 0.6364661353048919
Energy: 0.6907773695213325
Energy: 0.6879881498440051
Energy: 0.7170953825492331
Energy: 0.6738132209156764
Energy: 0.6873027016821621
Energy: 1.2846903949045747
Energy: 0.6744011323697193
Energy: 0.7222199945835474
Energy: 0.7180741250125948
Energy: 0.6752498923804332
Energy: 0.7239537171178272
Energy: 1.167910703326134
Energy: 0.6891658470951106
Energy: 0.6886032752491359
Energy: 0.6867295253027769
Energy: 0.6910098058959026
Energy: 0.6876280739142774
Energy: 1.151558553796206
Energy: 0.7181099998314293
Energy: 0.7185358066116702
Energy: 0.717514471356692
Energy: 0.6889153631282854
Energy: 0.7173274439527572
Energy: 1.147443387949602
Energy: 0.7181999921612104
Energy: 0.7172980106856082
Energy: 0.7170130303434302
Energy: 0.7188611155168274
Energy: 0.7168483789042821
Energy: 1.0669145830850217
Energy: 0.7159381856835495
Energy: 0.7161818408655408
Energy: 0.6898251518546831
Energy: 0.715346248697114
Energy: 0.7176296592986882
Energy: 0.9361831280584999
Energy: 0.7172913366025263
Energy: 0.7183926467748943
Energy: 0.6894434529610731
Energy: 0.7177382792668027
Energy: 0.7183470855845424
Energy: 0.9347141144584428
Energy: 0.6870942903370683
Energy: 0.6887408974303638
Energy: 0.6919674740283241
Energy: 0.6868203806796671
Energy: 0.6887558374156026
Energy: 0.9692475299367134
Energy: 0.7202340928467765
Energy: 0.719995858737478
Energy: 0.6737128362623106
Energy: 0.7202691392276356
Energy: 0.7220194184943522
Energy: 0.7825374687919807
Energy: 0.6866472831769787
Energy: 0.6867081698913647
Energy: 0.673370799779823
Energy: 0.7155942459996966
Energy: 0.6870475219710408
Energy: 0.7822677379670188
Energy: 0.687007102171555
Energy: 0.686594086538813
Energy: 0.6889458707994307
Energy: 0.6859309989433444
Energy: 0.6866718379569708
Energy: 0.8415904882926909
Energy: 0.6940267402899998
Energy: 0.6932489587184181
Energy: 0.6740321000303309
Energy: 0.6932476178556252
Energy: 0.6742236776978267
Energy: 0.8273633822829136
Energy: 0.6889347197767834
Energy: 0.6882549885364765
Energy: 0.6926568088240471
Energy: 0.6876619359382848
Energy: 0.6883908680909011
Energy: 0.8278668428554579
Energy: 0.717635418403468
Energy: 0.7177311049547848
Energy: 0.6724759413979873
Energy: 0.7173777440097417
Energy: 0.718163864680878
Energy: 1.0690252220450085
Energy: 0.7168554264439736
Energy: 0.7164893820672046
Energy: 0.6721664632019311
Energy: 0.7164132362676536
Energy: 0.7204824672490574
Energy: 1.0488022341509655
Energy: 0.719669059462133
Energy: 0.7189316545259052
Energy: 0.7181372340884284
Energy: 0.7191042978453313
Energy: 0.7186627418942818
Energy: 1.047987401921726
Energy: 0.718051617556695
Energy: 0.718783233325185
Energy: 0.7195957689681278
Energy: 0.718083682557047
Energy: 0.7183062823299206
Energy: 1.086708912695717
Energy: 0.7185506915271183
Energy: 0.7186412076485342
Energy: 0.7185360965652898
Energy: 0.7186628590615508
Energy: 0.7180411652787309
Energy: 1.198701340512363
Energy: 0.7025191028279033
Energy: 0.7173170223746014
Energy: 0.7165297583040169
Energy: 0.7007676358816295
Energy: 0.7169957636509582
Energy: 1.1581306180927662
Energy: 0.7224352251911533
Energy: 0.7181795358115232
Energy: 0.7156210951416678
Energy: 0.6726379375751717
Energy: 0.7179258802419749
Energy: 1.2060952848390458
Energy: 0.6884015404939992
Energy: 0.6868381617415836
Energy: 0.6560370071303355
Energy: 0.6883442145253192
Energy: 0.6867499159053085

minimum gb energy = 0.6364661353048919 eV
minimum distance =  2.64602798559908 Angstroms
sigma value = 33


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

Energy: 1.5852482266663446
Energy: 0.7218387339098017
Energy: 0.7635683807621294
Energy: 0.7867114537248476
Energy: 0.7355745736547886
Energy: 0.8489726888107573
Energy: 0.7295167027555723
Energy: 0.7376151043146484
Energy: 0.739456636355891
Energy: 0.7398635541431061
Energy: 0.7672275910057518
Energy: 0.7396532267697007
Energy: 0.7547280240203615
Energy: 0.7393476757422667
Energy: 0.7402088409734351
Energy: 0.7998273359330904
Energy: 0.7393510204047243
Energy: 0.7660317048531027
Energy: 1.2483208887790542
Energy: 0.7641905858847229
Energy: 0.7533683458287891
Energy: 0.8021881905940871
Energy: 0.7694768642812436
Energy: 0.8030207936659072
Energy: 0.8519952473014278
Energy: 0.7389172980734362
Energy: 0.7385770805272942
Energy: 0.7649569616520919
Energy: 0.738363988188254
Energy: 0.7475618668686503
Energy: 1.254706724826681
Energy: 0.743019514555875
Energy: 0.7507284837889308
Energy: 0.7500256967498518
Energy: 0.7659941678955555
Energy: 0.7437090159029455
Energy: 1.2548966605992218
Energy: 0.7650798679850559
Energy: 0.759820823239614
Energy: 0.7498074488269622
Energy: 0.758994016246424
Energy: 0.7434583760823151
Energy: 1.1305955006630168
Energy: 0.7976518592544086
Energy: 0.7976956124997949
Energy: 0.7340481557495592
Energy: 0.7976256725773574
Energy: 0.7981934410870958
Energy: 1.007991204180795
Energy: 0.7993273315121735
Energy: 0.8431976854878644
Energy: 0.8445260016997865
Energy: 0.7986261917837213
Energy: 0.7499639934767695
Energy: 1.0074621092930016
Energy: 0.8367312235874402
Energy: 0.8375731826839888
Energy: 0.8468489864584979
Energy: 0.8390640090928049
Energy: 0.8380861992165485
Energy: 0.9690979193993098
Energy: 0.757762150761346
Energy: 0.7546285070714727
Energy: 0.8090183171581499
Energy: 0.7576570766553539
Energy: 0.7560512595170776
Energy: 0.8839192946614387
Energy: 0.7562139753733316
Energy: 0.833274261007457
Energy: 0.8618296541091965
Energy: 0.7561621069069977
Energy: 0.7420870141427878
Energy: 0.883255599943152
Energy: 0.8431019874450616
Energy: 0.8414281551742798
Energy: 0.8328758557092014
Energy: 0.8436208093850648
Energy: 0.8393448616255537
Energy: 0.9959714190447427
Energy: 0.7927186377784149
Energy: 0.7933010123530915
Energy: 0.8491543604199492
Energy: 0.8001795092998578
Energy: 0.8032118732757608
Energy: 0.9827581307088851
Energy: 0.84106382506181
Energy: 0.8402357685739414
Energy: 0.8411247083758838
Energy: 0.8433801456207393
Energy: 0.8401654479232007
Energy: 0.9819033652909298
Energy: 0.8432896333324447
Energy: 0.8451229423584813
Energy: 0.8623688837822158
Energy: 0.8436369495569145
Energy: 0.8397834391990974
Energy: 1.0929314193437798
Energy: 0.8435685002927967
Energy: 0.8435423056093372
Energy: 0.8570176440418662
Energy: 0.8436266359495482
Energy: 0.8415399356048605
Energy: 1.1014458523286432
Energy: 0.8287329893729642
Energy: 0.82884491112028
Energy: 0.798062857855941
Energy: 0.8317758842637668
Energy: 0.7974278934616835
Energy: 1.102990816925322
Energy: 0.8521478107509877
Energy: 0.8432930271374418
Energy: 0.7982421033001406
Energy: 0.8581400443717946
Energy: 0.8447490367539934
Energy: 0.8527391080732868
Energy: 0.8380318376106459
Energy: 0.8322697586804806
Energy: 0.8298013503770237
Energy: 0.8380271367499807
Energy: 0.8313107992287277
Energy: 1.3362130093956732
Energy: 0.8436550624905628
Energy: 0.7597609968243338
Energy: 0.7566814715332583
Energy: 0.841783082606444
Energy: 0.758160244224295
Energy: 1.0469178455997354
Energy: 0.8369572218606082
Energy: 0.8306487855828734
Energy: 0.7561901842728321
Energy: 0.8573358462356514
Energy: 0.8299904427944442
Energy: 1.1828829238086565
Energy: 0.8441262358342273
Energy: 0.8348902350224797
Energy: 0.8441088329963365
Energy: 0.8581635656290043
Energy: 0.8351104965156848
Energy: 1.2470605504766843
Energy: 0.8417918419433015
Energy: 0.8585921614637116
Energy: 0.7973696513739442
Energy: 0.8641562080549732
Energy: 0.8049423949701667
Energy: 1.1830784939276842
Energy: 0.8405277018521912
Energy: 0.8393072984160137
Energy: 0.8447610690236563
Energy: 0.8290239377117096
Energy: 0.838931302147012
Energy: 0.8178723860913494
Energy: 0.8450719986384596
Energy: 0.8388686837971233
Energy: 0.8304641751864889
Energy: 0.8613253942431236
Energy: 0.8457488076040452
Energy: 1.2553024365232446
Energy: 0.8406043244883026
Energy: 0.8395555419900611
Energy: 0.8442071507799734
Energy: 0.8378535157517141
Energy: 0.8411008744330011
Energy: 1.1002199080182742
Energy: 0.7983819406291485
Energy: 0.7976894865902964
Energy: 0.8315033670820102
Energy: 0.7981302616398643
Energy: 0.8300018694929286
Energy: 1.00866127248718
Energy: 0.7985872452673739
Energy: 0.7968711768884584
Energy: 0.8582164320471651
Energy: 0.7979485288169089
Energy: 0.8454813421936475
Energy: 1.0084612886191016
Energy: 0.8409269759226867
Energy: 0.8380907607901422
Energy: 0.8323587491545397
Energy: 0.8419228749944071
Energy: 0.7430135666971217
Energy: 1.0978247119610922
Energy: 0.7565274533489784
Energy: 0.7568687610932774
Energy: 0.8647866544953116
Energy: 0.7563577509674329
Energy: 0.7582079595328928
Energy: 0.8823538974577622
Energy: 0.7564445215724893
Energy: 0.7562867608001907
Energy: 0.856688563056665
Energy: 0.7561922087134029
Energy: 0.8356750721382898
Energy: 0.8827462787420005
Energy: 0.8398126435046571
Energy: 0.8386966741810855
Energy: 0.8456342432429121
Energy: 0.8432080097768709
Energy: 0.8394109768183359
Energy: 0.8823554618205447
Energy: 0.7988094550629157
Energy: 0.7999531371503049
Energy: 0.8632284937545766
Energy: 0.7970570169585294
Energy: 0.8034508373961805
Energy: 0.9869223110146984
Energy: 0.8400839464887724
Energy: 0.7534261240477828
Energy: 0.7543608694332091
Energy: 0.8432867237230645
Energy: 0.8395607329850762
Energy: 0.9819308143495317
Energy: 0.7529229411026238
Energy: 0.7434213906360924
Energy: 0.7704197852628385
Energy: 0.7488462895060286
Energy: 0.7527208220006654
Energy: 1.1386163103478941
Energy: 0.7642920216226814
Energy: 0.7478943745354437
Energy: 0.7545859159880176
Energy: 0.7475775115405379
Energy: 0.7460313228639167
Energy: 1.1041468904146237
Energy: 0.7550115943786467
Energy: 0.7707636174588393
Energy: 0.7984835520384953
Energy: 0.7628942200556338
Energy: 0.7535254273350434
Energy: 1.101556102297528
Energy: 0.7389452140975294
Energy: 0.7422182881978362
Energy: 0.7978425777371304
Energy: 0.7394064942261946
Energy: 0.8049501990315783
Energy: 0.8518159119161453
Energy: 0.7381468978613362
Energy: 0.7409768863923474
Energy: 0.7415984325514303
Energy: 0.7395596444268481
Energy: 0.7411650542886081
Energy: 0.7808760923666259
Energy: 0.7383758326069467
Energy: 0.7542580592307278
Energy: 0.7561095116362472
Energy: 0.7386683026809564
Energy: 0.7936434072160197

minimum gb energy = 0.7218387339098017 eV
minimum distance =  2.49886538575097 Angstroms
sigma value = 51


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

Energy: 1.401979032236625
Energy: 0.7272457576701816
Energy: 0.7962316451624659
Energy: 0.7542661248505503
Energy: 0.7862191557807505
Energy: 0.7196509308052798
Energy: 1.089796122958592
Energy: 0.7686987964473664
Energy: 0.7692546673389908
Energy: 0.7281269732175023
Energy: 0.7306560580021025
Energy: 0.7272497815018673
Energy: 1.2118654624341447
Energy: 0.7635556589898601
Energy: 0.7314888185219451
Energy: 0.7262308399310025
Energy: 0.7304870722039029
Energy: 0.7682230754173217
Energy: 1.2138094710207195
Energy: 0.7233965638047031
Energy: 0.7242659299101042
Energy: 0.7271781551667368
Energy: 0.7490321035812602
Energy: 0.7278482908176925
Energy: 0.7298584282334997
Energy: 0.7263779054132762
Energy: 0.726642702759388
Energy: 0.7291460269275273
Energy: 0.7283244006600491
Energy: 0.7266423717494399
Energy: 1.0411802587328631
Energy: 0.7268717387909995
Energy: 0.7260988534282122
Energy: 0.7271495845785356
Energy: 0.727391941333363
Energy: 0.7263508155293229
Energy: 1.0410833285723624
Energy: 0.7278405619392881
Energy: 0.7269713368193839
Energy: 0.7271549926067619
Energy: 0.7288572363839358
Energy: 0.7265540283891772
Energy: 0.8749539011365723
Energy: 0.8090327164830112
Energy: 0.8091468442637263
Energy: 0.8182523796383688
Energy: 0.80902202612359
Energy: 0.762374036919063
Energy: 0.8278582353177731
Energy: 0.8020232781914042
Energy: 0.7906128390775767
Energy: 0.7334016488065858
Energy: 0.8031489379956372
Energy: 0.7284508523949232
Energy: 0.8276134479344048
Energy: 0.7281822709604558
Energy: 0.727917764667355
Energy: 0.7284207770743426
Energy: 0.7286508126578566
Energy: 0.7693206221862464
Energy: 0.827947239505053
Energy: 0.7095046100711233
Energy: 0.7095429016333167
Energy: 0.7251924112950232
Energy: 0.7272502893824406
Energy: 0.7505966249876111
Energy: 0.8903831646576548
Energy: 0.7272686612659817
Energy: 0.7269449476674641
Energy: 0.729549633074747
Energy: 0.7230071555782777
Energy: 0.7272407883271453
Energy: 0.8900965844424434
Energy: 0.8081874490728362
Energy: 0.7703026916320329
Energy: 0.7273508787199026
Energy: 0.7697314371652303
Energy: 0.7249471040653387
Energy: 0.8902415740565783
Energy: 0.7290394787329294
Energy: 0.7288480469551335
Energy: 0.7551144465634106
Energy: 0.7295710189510028
Energy: 0.7289287109423395
Energy: 1.1179785842046526
Energy: 0.7271818781941153
Energy: 0.7693194114712995
Energy: 0.7191906798321804
Energy: 0.7309600109290357
Energy: 0.7688784156345667
Energy: 1.1181321174893306
Energy: 0.7659606756410066
Energy: 0.7272266861438272
Energy: 0.7215607795789323
Energy: 0.7272839767689318
Energy: 0.7138240134511266
Energy: 0.7692909471998535
Energy: 0.764197388781953
Energy: 0.7668888211097044
Energy: 0.7288345005026785
Energy: 0.7311602322960343
Energy: 0.7296926774818211
Energy: 1.3097273090666441
Energy: 0.7279323509067087
Energy: 0.7179084543674296
Energy: 0.762754677850571
Energy: 0.7707220004276486
Energy: 0.7168008891431651

minimum gb energy = 0.7095046100711233 eV
minimum distance =  2.66178899357298 Angstroms
sigma value = 19


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

Energy: 1.1951012829759737
Energy: 0.7938364797588348
Energy: 0.8132426791160321
Energy: 0.8452837128786539
Energy: 0.792967733299678
Energy: 0.8472098324229452
Energy: 0.9803682386988339
Energy: 0.793316276028952
Energy: 0.7931346523969132
Energy: 0.8142981361769929
Energy: 0.7933272790895148
Energy: 0.793047052891819
Energy: 0.7808724966296559
Energy: 0.7936052960816903
Energy: 0.7938783334849104
Energy: 0.8253543495123737
Energy: 0.7934308171803757
Energy: 0.7941157701842414
Energy: 0.9760419885310888
Energy: 0.7938237742343713
Energy: 0.7940750550161985
Energy: 0.8146638760157872
Energy: 0.7929579064955442
Energy: 0.792826886359083
Energy: 0.882504126357853
Energy: 0.7928505103189204
Energy: 0.8139353545955283
Energy: 0.7809387085660908
Energy: 0.7930795918748431
Energy: 0.8142107959881785
Energy: 0.9795815199885052
Energy: 0.774847433479467
Energy: 0.8131881131203075
Energy: 0.8136375382398828
Energy: 0.7745099854941928
Energy: 0.8135850442941378
Energy: 0.9805797768970679
Energy: 0.7811108188711804
Energy: 0.8136061653754444
Energy: 0.8137431248597943
Energy: 0.7811268291381054
Energy: 0.8137530204559887
Energy: 0.8831107043318758
Energy: 0.7746764820375366
Energy: 0.7746747055962947
Energy: 0.793297092763488
Energy: 0.7764601202907672
Energy: 0.7755558228971446
Energy: 0.7931058034009653
Energy: 0.775215679563178
Energy: 0.7749357622900636
Energy: 0.7931991651263279
Energy: 0.7750313974647371
Energy: 0.7746672556267522
Energy: 0.7928917142959764
Energy: 0.8140224831687629
Energy: 0.7930550771628548
Energy: 0.7930832444985688
Energy: 0.8148812543837548
Energy: 0.7930499150705237
Energy: 0.7924106049035031
Energy: 0.8183101918640772
Energy: 0.8161304509396825
Energy: 0.7929109581493168
Energy: 0.8173016012443504
Energy: 0.7934066598453557
Energy: 0.8838054335709187
Energy: 0.8143631163937344
Energy: 0.8133042584943811
Energy: 0.7932204483765306
Energy: 0.8136935927003308
Energy: 0.7932640994361778
Energy: 0.7745907990199391
Energy: 0.8138498005043295
Energy: 0.8137765825308273
Energy: 0.7766122362162552
Energy: 0.8138728960401683
Energy: 0.8140760469278506
Energy: 0.8836796633856034
Energy: 0.8138329995473601
Energy: 0.8139206398224065
Energy: 0.781149535699018
Energy: 0.8159957504578633
Energy: 0.8143304756661761
Energy: 1.1711557549049687
Energy: 0.7932114528333619
Energy: 0.7935076839833048
Energy: 0.7748880844203148
Energy: 0.7933168980927838
Energy: 0.7747848381759405
Energy: 1.1709127639725354
Energy: 0.7811044949540707
Energy: 0.775540060308191
Energy: 0.7757735644893708
Energy: 0.7807593940760742
Energy: 0.77486243531757
Energy: 0.9805135450991095
Energy: 0.7938205286285885
Energy: 0.7931361917672767
Energy: 0.7812533279360291
Energy: 0.7932244210802541
Energy: 0.7929259901360763
Energy: 0.9759767647283066
Energy: 0.793964932019456
Energy: 0.7931676991002504
Energy: 0.8146068753451827
Energy: 0.7931490185608121
Energy: 0.7810060103480185
Energy: 0.9765641757059663
Energy: 0.7933994813072158
Energy: 0.7933967889964152
Energy: 0.8147311905455152
Energy: 0.7934952706522487
Energy: 0.7936585492460749
Energy: 0.9801844283071298
Energy: 0.7746707703459439
Energy: 0.813412124306216
Energy: 0.7818272895108214
Energy: 0.7744468293270002
Energy: 0.8130776361622284
Energy: 0.9795648895321392
Energy: 0.793387326335578
Energy: 0.8139294871463646
Energy: 0.8259105405850609
Energy: 0.7932600873274489
Energy: 0.8140038907051885
Energy: 0.9798513958201567
Energy: 0.7812733950697935
Energy: 0.8133635905775171
Energy: 0.7939452414507296
Energy: 0.7811718470077971
Energy: 0.8134610372037031
Energy: 0.8837686915355037
Energy: 0.7744395187928236
Energy: 0.7749508930848888
Energy: 0.8835779716342402
Energy: 0.775189497730752
Energy: 0.7749735490038703
Energy: 0.7930191636381878
Energy: 0.7939811083154384
Energy: 0.7931479775496924
Energy: 0.7932051634160874
Energy: 0.8034813986834715
Energy: 0.7932288297349637
Energy: 0.7932346381820189
Energy: 0.8146592985761568
Energy: 0.793927448311302
Energy: 0.7933955302252029
Energy: 0.8250570347718611
Energy: 0.7938356294799528
Energy: 0.7810115629015165
Energy: 0.8149490812583604
Energy: 0.8147340986429651
Energy: 0.7929143736628101
Energy: 0.8152595859778737
Energy: 0.7933665920656878
Energy: 0.980060776661902
Energy: 0.8139250271179722
Energy: 0.8143147698456702
Energy: 0.793346819049959
Energy: 0.7814955825378803
Energy: 0.8144081806489856
Energy: 0.7744147205153878
Energy: 0.8136956081053766
Energy: 0.8144475211610563
Energy: 0.7743877723600818
Energy: 0.8136129329586691
Energy: 0.8128741557391246
Energy: 0.8835078786192426
Energy: 0.813518246885146
Energy: 0.8147170090168203
Energy: 0.7813438954387713
Energy: 0.8136841541626042
Energy: 0.8131689169321493
Energy: 1.1698427506237619
Energy: 0.7808111598940208
Energy: 0.7753573469178584
Energy: 0.7753895617545793
Energy: 0.7939661911845077
Energy: 0.7755889810596661

minimum gb energy = 0.7743877723600818 eV
minimum distance =  2.64184151825245 Angstroms
sigma value = 27


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

Energy: 0.9822187030261701
Energy: 0.664449533956446
Energy: 0.6351164432327142
Energy: 0.6956723412541584
Energy: 0.6642454296745859
Energy: 0.6353439084882002
Energy: 0.9195669909959684
Energy: 0.6642556802304148
Energy: 0.6642031584567339
Energy: 0.6643586740546102
Energy: 0.664867006270707
Energy: 0.6646455427715353
Energy: 0.8614944960946241
Energy: 0.7005488605074022
Energy: 0.6650342146329722
Energy: 0.6646263009712987
Energy: 0.6640058305629138
Energy: 0.665026708265665
Energy: 0.6830032435998495
Energy: 0.6642871211311508
Energy: 0.6644735759012128
Energy: 0.6645760526614723
Energy: 0.6649760354531644
Energy: 0.6643365775317053
Energy: 0.9206917820755023
Energy: 0.6356496690074432
Energy: 0.6644786522969609
Energy: 0.6645311618511232
Energy: 0.6356711966512478
Energy: 0.665541302201978
Energy: 0.7798464788719419
Energy: 0.7034676412192986
Energy: 0.6784558129366666
Energy: 0.6641753942875089
Energy: 0.7034680275484154
Energy: 0.6351077624021936
Energy: 0.7798566918323562
Energy: 0.6650397527936441
Energy: 0.6653234287715183
Energy: 0.6646250199825304
Energy: 0.6802839849572533
Energy: 0.6648509504090424
Energy: 0.816446711309248
Energy: 0.676468329034785
Energy: 0.6776022254347117
Energy: 0.7019428523129897
Energy: 0.67617188994141
Energy: 0.664169816425213
Energy: 0.8616027325899843
Energy: 0.66393840878596
Energy: 0.6842693939010112
Energy: 0.6647063103344938
Energy: 0.6641221378894925
Energy: 0.6835855807957539
Energy: 0.8615095145071927
Energy: 0.6654057609201416
Energy: 0.6650769233217806
Energy: 0.665399895889995
Energy: 0.6652544346389888
Energy: 0.6650468144228157
Energy: 0.8632931329261867
Energy: 0.7192788306472596
Energy: 0.7185106640945871
Energy: 0.6650966061836175
Energy: 0.721165441131685
Energy: 0.6819545671403148
Energy: 0.8616877787300802
Energy: 0.6643702659457679
Energy: 0.6642093649986979
Energy: 0.6645253035808328
Energy: 0.6650057920010973
Energy: 0.6644833862962962

minimum gb energy = 0.6351077624021936 eV
minimum distance =  2.68654846545702 Angstroms
sigma value = 9


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

Energy: 0.6009894166664922
Energy: 0.6288488174630382
Energy: 0.6134567866336559
Energy: 0.6248517892802926
Energy: 0.6300784130012692
Energy: 0.6265024105838156
Energy: 0.6195857405430153
Energy: 0.6041654675538232
Energy: 0.6060336569281182
Energy: 0.6068328452444455
Energy: 0.6133060774452151
Energy: 0.6059354256333027
Energy: 0.6295635913156111
Energy: 0.6118140941950588
Energy: 0.6124581789355905
Energy: 0.6238180320366709
Energy: 0.6116517710509406
Energy: 0.6128600038509466
Energy: 0.7173875311478682
Energy: 0.6134267221152111
Energy: 0.6131061589578691
Energy: 0.6128185823210796
Energy: 0.6132131882033779
Energy: 0.6137740818522837
Energy: 0.6289730052768966
Energy: 0.6095299332537468
Energy: 0.6086743008915738
Energy: 0.6188123472438851
Energy: 0.6138567927968519
Energy: 0.6212473329528149
Energy: 0.6685097966988293
Energy: 0.6123540543061191
Energy: 0.6107952006001544
Energy: 0.61735309302687
Energy: 0.6098428399681585
Energy: 0.6102490925478992
Energy: 0.670054443048986
Energy: 0.6126758493580001
Energy: 0.6147514526220921
Energy: 0.6196504240795169
Energy: 0.6125348946257141
Energy: 0.6125167501349045
Energy: 0.6820740422936282
Energy: 0.6049699519176024
Energy: 0.6126043578611872
Energy: 0.6149671975853086
Energy: 0.6029153467320678
Energy: 0.6128725939563967
Energy: 0.6433112606406484
Energy: 0.6184219865778589
Energy: 0.6132756168062599
Energy: 0.6121546647612143
Energy: 0.6129802493779337
Energy: 0.6141184925578642
Energy: 0.6446744429499013
Energy: 0.6126939542434721
Energy: 0.612359123429871
Energy: 0.6116511980630106
Energy: 0.614001414872427
Energy: 0.610884615600466
Energy: 0.6446822807090052
Energy: 0.6128071258518558
Energy: 0.613750624598346
Energy: 0.6089828092941353
Energy: 0.6129640014805439
Energy: 0.6209790561129126
Energy: 0.647262336775762
Energy: 0.6189571316643864
Energy: 0.6199153598435949
Energy: 0.613739858049922
Energy: 0.6172326747575018
Energy: 0.6232524996372116
Energy: 0.9448770582701441
Energy: 0.6220056313349609
Energy: 0.6309842619773404
Energy: 0.6213203561597272
Energy: 0.7410765560800916
Energy: 0.6206237505192246
Energy: 0.8830236123321997
Energy: 0.619815159423616
Energy: 0.6198964161610326
Energy: 0.6136454713886456
Energy: 0.6221988697765344
Energy: 0.6225863130908179
Energy: 0.6629086653303495
Energy: 0.5904065488660867
Energy: 0.5891945613126505
Energy: 0.6124724717708122
Energy: 0.5908926364903478
Energy: 0.6115182625012007
Energy: 0.6630410205160421
Energy: 0.6031200810895188
Energy: 0.6162101881243717
Energy: 0.6124168424765758
Energy: 0.6057762951466437
Energy: 0.6203956195166658
Energy: 0.6620785294010444
Energy: 0.6220200961367366
Energy: 0.6183719308258204
Energy: 0.6076303190744541
Energy: 0.6118528700639695
Energy: 0.6105849214492758
Energy: 0.7216350768475022
Energy: 0.6202941931626558
Energy: 0.6174695167408575
Energy: 0.6053918878047351
Energy: 0.6152984613898763
Energy: 0.6170664554142432
Energy: 0.716928053908934
Energy: 0.6034973861043236
Energy: 0.6040808697644043
Energy: 0.6207657194684347
Energy: 0.6052775393230961
Energy: 0.6046241413896681
Energy: 0.7155556558437923
Energy: 0.6015729663610608
Energy: 0.6006181505698484
Energy: 0.6036746083603115
Energy: 0.6032889559379166
Energy: 0.5919175906120043
Energy: 0.7170707272038948
Energy: 0.6175982432797783
Energy: 0.6159635959681974
Energy: 0.6207280162385618
Energy: 0.6202835669305545
Energy: 0.6034545729690716
Energy: 0.7469900170025491
Energy: 0.6222750959158398
Energy: 0.6116992412087048
Energy: 0.6124280694289287
Energy: 0.6191304542929333
Energy: 0.6074368930691798
Energy: 0.8930411232992035
Energy: 0.609368755886429
Energy: 0.6107627801919442
Energy: 0.6129296529870404
Energy: 0.6107508263549511
Energy: 0.6112480927859874
Energy: 0.6293211770468605
Energy: 0.6129461527467385
Energy: 0.6203962693660146
Energy: 0.623746962062509
Energy: 0.6118341548557231
Energy: 0.615721004893199
Energy: 0.8551098640153975
Energy: 0.6118106402769309
Energy: 0.6748332865494022
Energy: 0.6128102714611446
Energy: 0.6128520876701962
Energy: 0.6102885601863399
Energy: 0.6288890252594332
Energy: 0.6130925392186589
Energy: 0.6231434701405965
Energy: 0.6175450506276099
Energy: 0.613687484331063
Energy: 0.6204257672620087
Energy: 0.7746253258007163
Energy: 0.6118291119067647
Energy: 0.6116078743064033
Energy: 0.7511597200738993
Energy: 0.6238731881694685
Energy: 0.6116462598966765
Energy: 0.6690451561622353
Energy: 0.6123846270684504
Energy: 0.6128055147172184
Energy: 0.6199952180677921
Energy: 0.6126548896116905
Energy: 0.6209213524665793
Energy: 0.66895166901519
Energy: 0.6227969603390686
Energy: 0.6221470498885296
Energy: 0.6132696206570564
Energy: 0.6128458641881382
Energy: 0.6143645520364011
Energy: 0.6673586843096739
Energy: 0.6042402614104229
Energy: 0.6120251805093205
Energy: 0.6142357633078046
Energy: 0.6035293905736906
Energy: 0.612218294225755
Energy: 0.6447499578419701
Energy: 0.6126482922171755
Energy: 0.6140540863438676
Energy: 0.6091391539671236
Energy: 0.6118286412636494
Energy: 0.6142914423454335
Energy: 1.1220714584481308
Energy: 0.6155060624425853
Energy: 0.6130481348132921
Energy: 0.6093637756869154
Energy: 0.6350538055748668
Energy: 0.6106317711036399
Energy: 0.8844912483941639
Energy: 0.6233307150482981
Energy: 0.6125278922776148
Energy: 0.612172563335628
Energy: 0.620977555222246
Energy: 0.6121437264411423
Energy: 0.6980050983661253
Energy: 0.62065524826788
Energy: 0.6199009387921306
Energy: 0.6193470316031534
Energy: 0.6184009966727797
Energy: 0.6118644535663824
Energy: 0.787236254557923
Energy: 0.6201187689011486
Energy: 0.6199742784889847
Energy: 0.6124435884239401
Energy: 0.6202908683597713
Energy: 0.6208979983321267
Energy: 0.6838320993116765
Energy: 0.5905651865512085
Energy: 0.6060733209501915
Energy: 0.6135305988412233
Energy: 0.5908190264016959
Energy: 0.6160210849926995
Energy: 0.6627553004690376
Energy: 0.6138767761417023
Energy: 0.6051168844949159
Energy: 0.6118245136102062
Energy: 0.6081232656050519
Energy: 0.6132021805595326
Energy: 0.6620858271026595
Energy: 0.6068056865629454
Energy: 0.6062318594260544
Energy: 0.6126109571071322
Energy: 0.6060489764484108
Energy: 0.6063189305272724
Energy: 0.6621651205121678
Energy: 0.6116560887121836
Energy: 0.6210328735913327
Energy: 0.6127294710307422
Energy: 0.6127815045284309
Energy: 0.618842289412583
Energy: 0.7171895910838645
Energy: 0.6066142561230803
Energy: 0.6071115489632126
Energy: 0.6207887548741954
Energy: 0.6066945154091771
Energy: 0.6070634433014862
Energy: 0.7151498450059426
Energy: 0.5927781874448269
Energy: 0.591591998528561
Energy: 0.6053889394164631
Energy: 0.5925737461795951
Energy: 0.6034850081436767
Energy: 0.717119275419146
Energy: 0.6018452060571637
Energy: 0.6015427331214713
Energy: 0.6233306254379725
Energy: 0.6030490784442055
Energy: 0.6030678123862222
Energy: 0.8929649145943241
Energy: 0.6100144330468734
Energy: 0.6103808221828945
Energy: 0.6140763007318025
Energy: 0.6044523530528217
Energy: 0.6112564417002581

minimum gb energy = 0.5891945613126505 eV
minimum distance =  2.650118026881 Angstroms
sigma value = 57


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

Energy: 0.3641688496028195
Energy: 0.3480525751637957
Energy: 0.3330550740139326
Energy: 0.33308618988769023
Energy: 0.3477463719164059
Energy: 0.33104637104985063
Energy: 0.4302334276721175
Energy: 0.3433568346189161
Energy: 0.3421422900649254
Energy: 0.3452353785736715
Energy: 0.346002429746161
Energy: 0.34182106175399163
Energy: 0.4340141752369486
Energy: 0.3441101371395192
Energy: 0.3421270130135548
Energy: 0.3468039718213386
Energy: 0.3469428082769437
Energy: 0.34129186733015077
Energy: 0.43452401961199233
Energy: 0.3438669028681869
Energy: 0.34240502959292973
Energy: 0.34793148564563525
Energy: 0.3466414189881127
Energy: 0.34191389374222736
Energy: 0.4295757732616069
Energy: 0.3332960058444031
Energy: 0.3335727589206115
Energy: 0.3469605944788917
Energy: 0.3328950073001791
Energy: 0.3425530071018028
Energy: 0.4042911158537097
Energy: 0.3319529114714495
Energy: 0.3333518617615805
Energy: 0.3454609003072529
Energy: 0.3322835013010641
Energy: 0.3319826044218715
Energy: 0.39832487440608955
Energy: 0.344104926455352
Energy: 0.34224583004138903
Energy: 0.34868829640407784
Energy: 0.3460313701285462
Energy: 0.34130660292555937
Energy: 0.40439134896118223
Energy: 0.3447175115120769
Energy: 0.3426786052519187
Energy: 0.3492916939220763
Energy: 0.34673665476581567
Energy: 0.3423455176796184
Energy: 0.4292238077388077
Energy: 0.3421425881729033
Energy: 0.3416618452621414
Energy: 0.3483104670345498
Energy: 0.3439314266934057
Energy: 0.3424590369085621
Energy: 0.3654544143874319
Energy: 0.34303817715723045
Energy: 0.33190230372469076
Energy: 0.3329788370751698
Energy: 0.34531936116939477
Energy: 0.33236538435579593
Energy: 0.3655406453969338
Energy: 0.3437465983864131
Energy: 0.34233692720104875
Energy: 0.3332003704720503
Energy: 0.3459032903949604
Energy: 0.3328235308698065
Energy: 0.43060606310252286
Energy: 0.3430779745751638
Energy: 0.3419870238034916
Energy: 0.3448737558900966
Energy: 0.34666577406426613
Energy: 0.3415031897363755
Energy: 0.7193935334082853
Energy: 0.3432913042048899
Energy: 0.3417235825856114
Energy: 0.34358888257178777
Energy: 0.3457547120176386
Energy: 0.34064703804847124
Energy: 0.42979768189069856
Energy: 0.34321871402693294
Energy: 0.3423663493373375
Energy: 0.34665286844088034
Energy: 0.3456604677632878
Energy: 0.34221912539517885
Energy: 0.43415456931864455
Energy: 0.33338284208831404
Energy: 0.3315667464170786
Energy: 0.34824515790565774
Energy: 0.3322569528316929
Energy: 0.33188611381346184
Energy: 0.4006496546188038
Energy: 0.3422244606483787
Energy: 0.34176737812723207
Energy: 0.3475091254156447
Energy: 0.3349136821199023
Energy: 0.3420340070661304
Energy: 0.4031367750573032
Energy: 0.34227236500452124
Energy: 0.34142506362319114
Energy: 0.34849134174748986
Energy: 0.3439050626146886
Energy: 0.3416249021398462
Energy: 0.43324382432134
Energy: 0.3446571596152913
Energy: 0.34255497451126987
Energy: 0.3478095527700323
Energy: 0.347101240707314
Energy: 0.34210201524122064
Energy: 0.3654398766295232
Energy: 0.344645559103768
Energy: 0.34294013834660375
Energy: 0.33343645758035695
Energy: 0.34631102391234414
Energy: 0.34215621535565194

minimum gb energy = 0.33104637104985063 eV
minimum distance =  2.73047998055556 Angstroms
sigma value = 11


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

Energy: 1.039308017903822
Energy: 0.5920855196814439
Energy: 0.613135353626527
Energy: 0.4764072165031911
Energy: 0.5925964943770118
Energy: 0.6124037955406356
Energy: 0.5053780406905257
Energy: 0.4720126348079433
Energy: 0.4743633108282565
Energy: 0.46998828154453876
Energy: 0.46985598298532
Energy: 0.47438462655613894
Energy: 0.5147403981620954
Energy: 0.4695364020819788
Energy: 0.47139196732018596
Energy: 0.4693384074927421
Energy: 0.4695050842852001
Energy: 0.4713478585783967
Energy: 0.514152963926469
Energy: 0.4706449769688754
Energy: 0.47059812166600223
Energy: 0.469240164221284
Energy: 0.4694208323367142
Energy: 0.4707376226846776
Energy: 0.5054043291283679
Energy: 0.5457479153203717
Energy: 0.5443329758100864
Energy: 0.46914043532421223
Energy: 0.5422226741131757
Energy: 0.47234916503114327
Energy: 0.5365487939393662
Energy: 0.4736792169956431
Energy: 0.4746254388883225
Energy: 0.46792206591919605
Energy: 0.47075152642776324
Energy: 0.5439820119086651
Energy: 0.5415651991648737
Energy: 0.47141606303300526
Energy: 0.4714370243164878
Energy: 0.4694316983733422
Energy: 0.4706643906980937
Energy: 0.4712445960966702
Energy: 0.5194035696616695
Energy: 0.5787877436878214
Energy: 0.579397084456931
Energy: 0.4684600144407231
Energy: 0.5780259759488472
Energy: 0.5838220574663847
Energy: 0.5403973121756237
Energy: 0.4697578770582739
Energy: 0.47130719191634624
Energy: 0.4699784078114408
Energy: 0.4697691931893278
Energy: 0.4713296762676453
Energy: 0.6082051978640398
Energy: 0.47366906649356055
Energy: 0.5458369710784481
Energy: 0.568579313579099
Energy: 0.470417766378374
Energy: 0.4735642049102085
Energy: 0.48918196929240826
Energy: 0.5419622368792377
Energy: 0.5445891783852098
Energy: 0.5417513389459371
Energy: 0.5416646447674957
Energy: 0.5445942505628308
Energy: 0.6460755384207241
Energy: 0.46852351114219304
Energy: 0.4702117325206104
Energy: 0.5764150921911942
Energy: 0.47033611094608274
Energy: 0.4710984603007208
Energy: 0.764180416140423
Energy: 0.4688708205545016
Energy: 0.47076156852994877
Energy: 0.5771614965080019
Energy: 0.46921798448288043
Energy: 0.5786713507168612
Energy: 0.6503747968472632
Energy: 0.615524306503208
Energy: 0.6145383182656986
Energy: 0.5444668453637288
Energy: 0.5443613674702854
Energy: 0.6141882256077983
Energy: 0.651575370301564
Energy: 0.47102797831304377
Energy: 0.4723341507099387
Energy: 0.5432117443389546
Energy: 0.4707167841351865
Energy: 0.5446303695991124
Energy: 0.7891315919639798
Energy: 0.5447773613538452
Energy: 0.5445569011442054
Energy: 0.5436047274570576
Energy: 0.5439343537586581
Energy: 0.6140299445766204
Energy: 0.8854318918423623
Energy: 0.4828090472243172
Energy: 0.47084498319017193
Energy: 0.6917501299075576
Energy: 0.48169859880546406
Energy: 0.47131259634303463
Energy: 1.0266553667154092
Energy: 0.5430631257035619
Energy: 0.5435223459353994
Energy: 0.4695701910539205
Energy: 0.5424526278705682
Energy: 0.5456212909847923
Energy: 0.5613380400346665
Energy: 0.47114034585083026
Energy: 0.4706874395127451
Energy: 0.4697983851191281
Energy: 0.4709716657264516
Energy: 0.47046872801232686
Energy: 0.7098173021187133
Energy: 0.5908025356687624
Energy: 0.5882987958708878
Energy: 0.5798157860804388
Energy: 0.5763880688551216
Energy: 0.5857400617190414
Energy: 0.788965976448849
Energy: 0.5422231081655404
Energy: 0.5436293278094979
Energy: 0.5425954300168511
Energy: 0.6116825040950102
Energy: 0.5431382371272443
Energy: 0.5074508545005205
Energy: 0.4721554596735687
Energy: 0.47299133326480014
Energy: 0.5421267893287142
Energy: 0.47194320323607314
Energy: 0.6144675827995322
Energy: 0.5095037306277552
Energy: 0.4707522803155308
Energy: 0.5450240658871118
Energy: 0.46911789711850793
Energy: 0.4703299985655317
Energy: 0.5442771835448796
Energy: 0.6219832197380839
Energy: 0.4689375990079969
Energy: 0.5749583937228412
Energy: 0.5762768485731847
Energy: 0.46942271454117707
Energy: 0.5773301158002282
Energy: 0.6131600930556842
Energy: 0.4701809698075884
Energy: 0.4698963259072696
Energy: 0.5771778366786454
Energy: 0.4694897046112295
Energy: 0.46852155258351963
Energy: 0.5547597803490752
Energy: 0.4699384014503993
Energy: 0.4722136470236375
Energy: 0.6111488158489313
Energy: 0.4695400432166776
Energy: 0.47254867333271616

minimum gb energy = 0.46792206591919605 eV
minimum distance =  2.70241666351384 Angstroms
sigma value = 41


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

Energy: 1.1466778994329396
Energy: 0.5017314092506114
Energy: 0.5006395064715676
Energy: 0.8935332400888963
Energy: 0.5021674330562773
Energy: 0.5179999364651405
Energy: 0.5430800422997909
Energy: 0.499951317854793
Energy: 0.49928553033093004
Energy: 0.5021372541549831
Energy: 0.5010396754907502
Energy: 0.49951378935582796
Energy: 0.5404766727223893
Energy: 0.5003549812800188
Energy: 0.499972276141074
Energy: 0.5011788929466143
Energy: 0.500881226567412
Energy: 0.49992630955864237
Energy: 0.5405692548217181
Energy: 0.5007898882418604
Energy: 0.4997408405819124
Energy: 0.5011816345774228
Energy: 0.5007008961724804
Energy: 0.499799612406132
Energy: 0.5421819571987
Energy: 0.5054867101523772
Energy: 0.5043219205235545
Energy: 0.5028757094357685
Energy: 0.506000567039555
Energy: 0.4991747025527426
Energy: 0.5902842736835605
Energy: 0.5008744915333162
Energy: 0.5016706407771591
Energy: 0.5011228086490429
Energy: 0.6619908488197437
Energy: 0.500841907271057
Energy: 0.5905516181561937
Energy: 0.5017568247403266
Energy: 0.5003357763379729
Energy: 0.5001137127250929
Energy: 0.5029063577562649
Energy: 0.5000181602582433
Energy: 0.5606800249110011
Energy: 0.49889589500263426
Energy: 0.4996662087596258
Energy: 0.4995677400679172
Energy: 0.5030909286906048
Energy: 0.4998914417943238
Energy: 0.5916113742907598
Energy: 0.4985365433433229
Energy: 0.5012373956779601
Energy: 0.5035357141837892
Energy: 0.5020080001413785
Energy: 0.5002275209059297
Energy: 0.8670721941671568
Energy: 0.49940958116433404
Energy: 0.49937409859899173
Energy: 0.505289159409725
Energy: 0.5024432044654161
Energy: 0.49870232855556873
Energy: 0.5915297023836948
Energy: 0.5018577930543036
Energy: 0.500970711123637
Energy: 0.5050360579815631
Energy: 0.5022572738497502
Energy: 0.5005245368305491
Energy: 0.590840176917569
Energy: 0.4980029740801335
Energy: 0.4981995159386503
Energy: 0.5026004513429618
Energy: 0.49935097766783615
Energy: 0.5007645992697133
Energy: 0.5449799630100285
Energy: 0.4987273061087489
Energy: 0.4989267513369902
Energy: 0.5024495204062154
Energy: 0.4992187758262103
Energy: 0.4991316253754535
Energy: 0.5462954813403355
Energy: 0.49911496736881505
Energy: 0.4984480566171113
Energy: 0.5030111921373703
Energy: 0.4997313969643178
Energy: 0.4981881040212282
Energy: 0.5441604125659603
Energy: 0.4989678986808622
Energy: 0.498836204346852
Energy: 0.5022231386371244
Energy: 0.5165030202966218
Energy: 0.4994562854863359
Energy: 0.5438730406178585
Energy: 0.5001693944439383
Energy: 0.49926160248606916
Energy: 0.502967465085185
Energy: 0.4996864931609873
Energy: 0.4998017231887838
Energy: 0.6515716279004057
Energy: 0.5022470751479031
Energy: 0.5047361781938718
Energy: 0.8416295755243065
Energy: 0.5001864130592363
Energy: 0.5031763255884386
Energy: 0.561522283586946
Energy: 0.5020164010287048
Energy: 0.5001804766573776
Energy: 0.5012041886331892
Energy: 0.502992092578181
Energy: 0.500853967012464
Energy: 0.5413002052512979
Energy: 0.49992835298253907
Energy: 0.49936410665505615
Energy: 0.5028872136950722
Energy: 0.5003039588498209
Energy: 0.5000992760499479
Energy: 0.5402517695991532
Energy: 0.500237202468002
Energy: 0.49929236390449877
Energy: 0.502031205716689
Energy: 0.5004054101059356
Energy: 0.49928503024946436
Energy: 0.5431446900578492
Energy: 0.502220724566964
Energy: 0.501300698014537
Energy: 0.5025462585348806
Energy: 0.50131027835673
Energy: 0.5000748897397078
Energy: 0.9270530717824911
Energy: 0.658089407372888
Energy: 0.6570816468498727
Energy: 0.4981738778995797
Energy: 0.6581417037461517
Energy: 0.6574571251591689
Energy: 0.5918454501648405
Energy: 0.5009315986724506
Energy: 0.49934688504785885
Energy: 0.5032891613937833
Energy: 0.5020264169105341
Energy: 0.498436519136705
Energy: 0.5605261727038668
Energy: 0.522499960669153
Energy: 0.5226963467050602
Energy: 0.5041443972286499
Energy: 0.5222749174025412
Energy: 0.500003998864401
Energy: 0.5905793154185197
Energy: 0.50179280652975
Energy: 0.49937603787381496
Energy: 0.49911458096186945
Energy: 0.5028344637931993
Energy: 0.4992195931610727
Energy: 0.5914003007958276
Energy: 0.5020173067428745
Energy: 0.5009836183950834
Energy: 0.5051421924595014
Energy: 0.5026636460027727
Energy: 0.500984681919671
Energy: 0.867053321117207
Energy: 0.4989050448911515
Energy: 0.49940279881415567
Energy: 0.5052515170139383
Energy: 0.4987906423781505
Energy: 0.498534945499747
Energy: 0.5894175927223925
Energy: 0.5031140468994023
Energy: 0.5068802566989042
Energy: 0.5014992436879909
Energy: 0.5052848432148878
Energy: 0.5007494368599608
Energy: 0.704430450874235
Energy: 0.5000941537247111
Energy: 0.5007478880512134
Energy: 0.495722126623463
Energy: 0.49986085171782524
Energy: 0.5627119302376916
Energy: 0.544287944607522
Energy: 0.49614066055384765
Energy: 0.5068656253505429
Energy: 0.501855861803232
Energy: 0.5070215711281307
Energy: 0.507485143384256
Energy: 0.5436740640461777
Energy: 0.4990149111366881
Energy: 0.4987321421143123
Energy: 0.5017831356852673
Energy: 0.6635571023720256
Energy: 0.4983483829273346
Energy: 0.5442195234263608
Energy: 0.5006645485749404
Energy: 0.49978363225909345
Energy: 0.4993311441077573
Energy: 0.49984211417338953
Energy: 0.4987519592767873
Energy: 0.6191949858309065
Energy: 0.5009424235472025
Energy: 0.500451487126617
Energy: 0.5041959078842687
Energy: 0.5012762279036858
Energy: 0.5002548269556211

minimum gb energy = 0.495722126623463 eV
minimum distance =  2.68640076670853 Angstroms
sigma value = 33


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

Energy: 0.672502308867587
Energy: 0.5380445330263305
Energy: 0.5419748490343914
Energy: 0.5798887383872761
Energy: 0.5394087729028763
Energy: 0.5416660804715819
Energy: 0.5894560773692524
Energy: 0.542029989811031
Energy: 0.5398817450578001
Energy: 0.5433217571540708
Energy: 0.5420295258003655
Energy: 0.5395448001483606
Energy: 0.5853876556767388
Energy: 0.5437191374486728
Energy: 0.5428892863226445
Energy: 0.545252597955499
Energy: 0.5455887086528823
Energy: 0.542848278413319
Energy: 0.585684700620515
Energy: 0.5438143098508742
Energy: 0.5426536074416305
Energy: 0.5433750193618091
Energy: 0.5449746521876873
Energy: 0.5426366458691076
Energy: 0.5830918107479743
Energy: 0.5486261047553707
Energy: 0.5451282713628427
Energy: 0.5425767044798052
Energy: 0.5470187807087082
Energy: 0.5452820479649554
Energy: 0.5817654350032754
Energy: 0.5480937593832701
Energy: 0.5477146930053173
Energy: 0.5388702605610447
Energy: 0.5482018823449023
Energy: 0.5471268432615997
Energy: 0.6179236248682177
Energy: 0.5505412796328997
Energy: 0.5410149213118517
Energy: 0.5442047394619617
Energy: 0.5502708132690812
Energy: 0.5411505506780345
Energy: 0.6112004058500827
Energy: 0.5477725136175052
Energy: 0.5764296189835086
Energy: 0.5497912363824593
Energy: 0.5486238068908996
Energy: 0.543189882033281
Energy: 0.6215926150548993
Energy: 0.5502330686357755
Energy: 0.5547296358194692
Energy: 0.5471014853952025
Energy: 0.5470324818660985
Energy: 0.5548093272573156
Energy: 0.6198392831258357
Energy: 0.5526825759111746
Energy: 0.5529764839381953
Energy: 0.5444008047584554
Energy: 0.54764384101397
Energy: 0.5470946658217862
Energy: 0.6183618046671093
Energy: 0.5518761173936539
Energy: 0.5510454883844113
Energy: 0.5437115156208403
Energy: 0.5511958818777267
Energy: 0.5419080605714556
Energy: 0.6493743416095098
Energy: 0.5451202961134298
Energy: 0.5507503937933377
Energy: 0.5425118723174729
Energy: 0.5412487001040187
Energy: 0.5511969469178187
Energy: 0.581961271635308
Energy: 0.5413179005899849
Energy: 0.5423826623647178
Energy: 0.5417786316838122
Energy: 0.5407991631138026
Energy: 0.5409801741425398
Energy: 0.599224311090269
Energy: 0.5420863518837574
Energy: 0.5413902822760176
Energy: 0.5424974480554444
Energy: 0.5432765651131848
Energy: 0.5415736361037435
Energy: 0.5564533269044981
Energy: 0.5425074107709212
Energy: 0.5416185781557021
Energy: 0.5425449128919313
Energy: 0.5412836712293972
Energy: 0.5405908115473284
Energy: 0.5925557871990764
Energy: 0.5448206571123508
Energy: 0.5430710146838428
Energy: 0.5429905487597333
Energy: 0.5435801469395425
Energy: 0.5413096740637884
Energy: 0.6211510926882242
Energy: 0.5420139283258676
Energy: 0.55582158647196
Energy: 0.5489276759931082
Energy: 0.5398364045205915
Energy: 0.5493935138401391
Energy: 0.6205255758817365
Energy: 0.5458270948757638
Energy: 0.5548234518674201
Energy: 0.5475977182512662
Energy: 0.5410849221015144
Energy: 0.5511688853013287
Energy: 0.6297061442789041
Energy: 0.5451203225701948
Energy: 0.5453375557309518
Energy: 0.5429665485969271
Energy: 0.5441843949756833
Energy: 0.5515181898851926
Energy: 0.5624863530289947
Energy: 0.543351279453841
Energy: 0.5402114506468769
Energy: 0.5466618499785367
Energy: 0.5440788540604369
Energy: 0.5525960368314521
Energy: 0.5618801788299103
Energy: 0.55014821615794
Energy: 0.5501763598543508
Energy: 0.5458880134304588
Energy: 0.5495873790840359
Energy: 0.5502542270714835
Energy: 0.563457755424025
Energy: 0.5471964946679896
Energy: 0.543629188358743
Energy: 0.5471800710573665
Energy: 0.5534740546768312
Energy: 0.5492642732113069
Energy: 0.5849581241294826
Energy: 0.5429033338682332
Energy: 0.541031420527816
Energy: 0.552008728763994
Energy: 0.5437566487319708
Energy: 0.5501626655285694
Energy: 0.6150736203211791
Energy: 0.5405790773627893
Energy: 0.5387103756392814
Energy: 0.5415778065656557
Energy: 0.5409558498755047
Energy: 0.5391867669646483
Energy: 0.6153684137002402
Energy: 0.549268676825175
Energy: 0.5486366581814163
Energy: 0.5504155032029372
Energy: 0.5443634455919856
Energy: 0.549025694296243
Energy: 0.5861406508976886
Energy: 0.5429087129596758
Energy: 0.5404428560197708
Energy: 0.5439478986086557
Energy: 0.5450899794795899
Energy: 0.5391756637719098
Energy: 0.5848715537152522
Energy: 0.5448567910175122
Energy: 0.5424396159586625
Energy: 0.5445929514446581
Energy: 0.543359986419367
Energy: 0.5413788443545778
Energy: 0.587752208690804
Energy: 0.5437513557948207
Energy: 0.5480565926867147
Energy: 0.5424250134530909
Energy: 0.5493003817993355
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Energy: 0.5812890675442943
Energy: 0.5489071674870858
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Energy: 0.5517022402107068
Energy: 0.6175125267912333
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Energy: 0.5501015896606367
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Energy: 0.5495255128593494
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Energy: 0.5381631874322882
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Energy: 0.551675478994988
Energy: 0.5520488345991219
Energy: 0.5430694094950457
Energy: 0.5485305177242931
Energy: 0.5435190665731698
Energy: 0.617969178431351
Energy: 0.5502809358326558
Energy: 0.5531976401560499
Energy: 0.5431497547875488
Energy: 0.5430557459623995
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Energy: 0.5813046908921828
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Energy: 0.539895753964662
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Energy: 0.53994011816516
Energy: 0.5954455457238286
Energy: 0.5413432764258712
Energy: 0.5421205013531997
Energy: 0.5437111720690674
Energy: 0.5434402428760806
Energy: 0.5423205853866673
Energy: 0.5961829777412789
Energy: 0.543105728493665
Energy: 0.5440396866008228
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Energy: 0.5399127566709312
Energy: 0.5865246010934646
Energy: 0.5438432975275779
Energy: 0.5421781149189681
Energy: 0.5452870408924407
Energy: 0.5442347504578878
Energy: 0.5401567600102478
Energy: 0.6202513674543499
Energy: 0.5415898950833655
Energy: 0.5417672876282063
Energy: 0.5488175408711927
Energy: 0.5419079491205251
Energy: 0.5487440961490627
Energy: 0.6205891504944959
Energy: 0.5452450289548121
Energy: 0.5501911874806307
Energy: 0.547938900345346
Energy: 0.5419358356908119
Energy: 0.551210513885622
Energy: 0.5860459875916583
Energy: 0.5449209897700231
Energy: 0.5454728544172207
Energy: 0.5461647268740282
Energy: 0.5429055810746057
Energy: 0.5395426912634906
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Energy: 0.5420009396500929
Energy: 0.5405549779795831
Energy: 0.5469922081254389
Energy: 0.5462169781233487
Energy: 0.5411154466256693
Energy: 0.5641413567399072
Energy: 0.5503779664035517
Energy: 0.5545946557466781
Energy: 0.5454962790166414
Energy: 0.5499893291304847
Energy: 0.5547568707178278
Energy: 0.5635948478132788
Energy: 0.548251188034127
Energy: 0.543844342099029
Energy: 0.5491424221289524
Energy: 0.7293936845731441
Energy: 0.5445206084035632
Energy: 0.5854739374483202
Energy: 0.5433860225192019
Energy: 0.5413775193137931
Energy: 0.5508946460779611
Energy: 0.5461927553022647
Energy: 0.5406765439412883
Energy: 0.6140402664549025
Energy: 0.5419799256760939
Energy: 0.5405949542332341
Energy: 0.5413304938286402
Energy: 0.5402104329198392
Energy: 0.5415562477484025

minimum gb energy = 0.5380445330263305 eV
minimum distance =  2.69712844976511 Angstroms
sigma value = 67


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

Energy: 0.9086073650600563
Energy: 0.5984927606187528
Energy: 0.6450857348121172
Energy: 0.6446205415564874
Energy: 0.5769481608837054
Energy: 0.6455612505468848
Energy: 0.6438362051331478
Energy: 0.5952831846539894
Energy: 0.5949686198729975
Energy: 0.5945478603139884
Energy: 0.5954473019589854
Energy: 0.5957790371872277
Energy: 0.6174864997180157
Energy: 0.5795791670191937
Energy: 0.5715837654467189
Energy: 0.572571423535715
Energy: 0.5792466578710578
Energy: 0.5711886222910172
Energy: 0.6170124937110488
Energy: 0.571754404388522
Energy: 0.5718349600444785
Energy: 0.5722934137018295
Energy: 0.5722003655659316
Energy: 0.5715920748272153
Energy: 0.6429329489765165
Energy: 0.5977408432915589
Energy: 0.5982367582900417
Energy: 0.5975032896953013
Energy: 0.5962076139644668
Energy: 0.5981852724221769
Energy: 0.6437992802146748
Energy: 0.585529734127
Energy: 0.59901828121753
Energy: 0.598116389732313
Energy: 0.5878912078842896
Energy: 0.599472712074711
Energy: 0.6569675886622551
Energy: 0.5956810796772205
Energy: 0.5953165531603699
Energy: 0.581327481782527
Energy: 0.5953843980976307
Energy: 0.595194511659023

minimum gb energy = 0.5711886222910172 eV
minimum distance =  2.7043428025504 Angstroms
sigma value = 3


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

Energy: 0.799917809114038
Energy: 0.7095500226146016
Energy: 0.6196537022381731
Energy: 0.6971415081297859
Energy: 0.6683781428963922
Energy: 0.6179577141174691
Energy: 0.6610784735584808
Energy: 0.7001785473663179
Energy: 0.6570710939949831
Energy: 0.6541333269290239
Energy: 0.6609244366377851
Energy: 0.6553211309290407
Energy: 0.693956054415802
Energy: 0.6869896050023933
Energy: 0.6861803119334775
Energy: 0.6770982242211406
Energy: 0.6853042266851234
Energy: 0.673765016613413
Energy: 0.6605814689598217
Energy: 0.6663783796815582
Energy: 0.6653594802001411
Energy: 0.6514183704701666
Energy: 0.6534569168723403
Energy: 0.6626413439747484
Energy: 0.6440761315312589
Energy: 0.6271097943350209
Energy: 0.6257508664490958
Energy: 0.6270874198377568
Energy: 0.6290095409386051
Energy: 0.623654709275
Energy: 0.6716212097543566
Energy: 0.6258036202532138
Energy: 0.6242334798744326
Energy: 0.6415093515309638
Energy: 0.6321804592346394
Energy: 0.6223404543822222
Energy: 0.6432804823626382
Energy: 0.6247193284491167
Energy: 0.6252261059126739
Energy: 0.6250446740537448
Energy: 0.6240003950043066
Energy: 0.6323688830969124
Energy: 0.8181320576870489
Energy: 0.6644695230367474
Energy: 0.6848202402782848
Energy: 0.6909813014239161
Energy: 0.6650999163213281
Energy: 0.680666567649709
Energy: 0.6431140600924407
Energy: 0.7258507374894438
Energy: 0.6566993242144048
Energy: 0.6908911177702494
Energy: 0.6221346059593906
Energy: 0.6565965898973537
Energy: 0.6830678294701144
Energy: 0.6862216016170378
Energy: 0.683632007606974
Energy: 0.7079122408907097
Energy: 0.6870107214067663
Energy: 0.7137758198239423
Energy: 0.6799197823932177
Energy: 0.6197281994419437
Energy: 0.6204920621688439
Energy: 0.6218438939462897
Energy: 0.6145236972620537
Energy: 0.6253759755229594
Energy: 0.6819957173481993
Energy: 0.6188857698500483
Energy: 0.6215448428309234
Energy: 0.6307424603505225
Energy: 0.6224972709101931
Energy: 0.6236212643965489
Energy: 0.6685655936630766
Energy: 0.6217146920279683
Energy: 0.6224730514672371
Energy: 0.6332949877164865
Energy: 0.6222346376465264
Energy: 0.6252777965704833
Energy: 0.7344485939965351
Energy: 0.7265370392013366
Energy: 0.7270537631351905
Energy: 0.6564415842088932
Energy: 0.6533797030310745
Energy: 0.658317505455703
Energy: 0.761231275592028
Energy: 0.6771435737886912
Energy: 0.6781723163847609
Energy: 0.6650013926431706
Energy: 0.6763242971451818
Energy: 0.679428662152598
Energy: 0.7302173818365585
Energy: 0.6537129175636779
Energy: 0.6560470367837788
Energy: 0.6568804323961774
Energy: 0.663658265186144
Energy: 0.6587014711755877
Energy: 0.7290331360893982
Energy: 0.6883718519691123
Energy: 0.6864378847791381
Energy: 0.6506703277161071
Energy: 0.6889150650229074
Energy: 0.6300829689739552
Energy: 0.8037970879288345
Energy: 0.6987318849974105
Energy: 0.6636455593639059
Energy: 0.6831983314926694
Energy: 0.7034979626755008
Energy: 0.7264743360232245
Energy: 0.7943270971343154
Energy: 0.6558229509008526
Energy: 0.659868640176845
Energy: 0.670349981974448
Energy: 0.6669007293217821
Energy: 0.6695915800131264
Energy: 0.7184789409144864
Energy: 0.7341957636543249
Energy: 0.7305551075050774
Energy: 0.6694868292363293
Energy: 0.6617310169934782
Energy: 0.6695166025485727
Energy: 0.653832446040708
Energy: 0.6155353758014896
Energy: 0.6126538331196917
Energy: 0.6173451793347239
Energy: 0.6171194590160414
Energy: 0.6119625566550031
Energy: 0.6526609069207979
Energy: 0.6268157678136981
Energy: 0.6278880500864872
Energy: 0.6144089396763267
Energy: 0.625502581200687
Energy: 0.6279239369686551
Energy: 0.7170498648958644
Energy: 0.6612238094358448
Energy: 0.66164428360258
Energy: 0.6176192159432419
Energy: 0.6596462154789343
Energy: 0.6120293364342975
Energy: 0.7046961840552863
Energy: 0.68399854814527
Energy: 0.6830873129260676
Energy: 0.6599260861456944
Energy: 0.68652391673649
Energy: 0.6708545397605922
Energy: 0.6467500346177684
Energy: 0.6356100536241841
Energy: 0.634242285358216
Energy: 0.6343445422151538
Energy: 0.6348987777636831
Energy: 0.6313452957650248
Energy: 0.766705269898407
Energy: 0.6334863303409041
Energy: 0.6581818490519459
Energy: 0.6427318238053724
Energy: 0.6314022321519139
Energy: 0.6360548170837369
Energy: 0.6608396788806601
Energy: 0.6822942846200951
Energy: 0.6843963904676457
Energy: 0.6408479101802741
Energy: 0.6433550523282057
Energy: 0.6330290208349659
Energy: 0.6468953788297259
Energy: 0.6374544405249013
Energy: 0.6365032217194172
Energy: 0.6344847770946118
Energy: 0.6356506125098935
Energy: 0.6330532757630366
Energy: 0.7296839174026303
Energy: 0.6795693790834115
Energy: 0.6781794138345704
Energy: 0.6916643181769438
Energy: 0.6801021928622979
Energy: 0.6730929459628541
Energy: 0.7596477931658123
Energy: 0.626319048345357
Energy: 0.6272145505813117
Energy: 0.7477201462931821
Energy: 0.6036272349639754
Energy: 0.6262763028276507
Energy: 0.6957421291849623
Energy: 0.6599946988853863
Energy: 0.6601469147718996
Energy: 0.6591651801746112
Energy: 0.660192782519223
Energy: 0.6614877696252233
Energy: 0.6492969394844204
Energy: 0.629086544707655
Energy: 0.6272046506944622
Energy: 0.6326698822120459
Energy: 0.6352957655483211
Energy: 0.6252745524625267
Energy: 0.7514836849460446
Energy: 0.6907258636037413
Energy: 0.6921390072742235
Energy: 0.686456467872556
Energy: 0.6382291748311673
Energy: 0.6462496026099217
Energy: 0.7122718125727987
Energy: 0.6189629234054638
Energy: 0.6209571404576557
Energy: 0.6535246022616558
Energy: 0.6208440221364143
Energy: 0.6241788084899438
Energy: 0.7158188059368367
Energy: 0.6422927734985158
Energy: 0.7035163858962594
Energy: 0.6326961377234934
Energy: 0.6488159053299546
Energy: 0.6405305026992799
Energy: 0.6997947540308999
Energy: 0.6837280584573475
Energy: 0.6823521194455832
Energy: 0.6200225093942939
Energy: 0.686767372550661
Energy: 0.7143293848104253
Energy: 0.6810735516366418
Energy: 0.6207247575660048
Energy: 0.6192276574900354
Energy: 0.6265797087578778
Energy: 0.6253841652460193
Energy: 0.6210150407513779
Energy: 0.6980770849764811
Energy: 0.6405672594421893
Energy: 0.6399069517318189
Energy: 0.628295192197017
Energy: 0.6404376295191948
Energy: 0.6510209622326102
Energy: 0.7445940572021995
Energy: 0.626775100696407
Energy: 0.61972170248801
Energy: 0.6655588362315379
Energy: 0.6247388730945554
Energy: 0.6217911776226953
Energy: 0.6918872501220107
Energy: 0.6595169772708842
Energy: 0.663713648054015
Energy: 0.6639957610865506
Energy: 0.668546435582351
Energy: 0.6642465455471988
Energy: 0.7317052913178986
Energy: 0.6514977412991323
Energy: 0.6598346439224952
Energy: 0.6703815171724878
Energy: 0.6546221215224874
Energy: 0.6633629670519913
Energy: 0.7288423752232203
Energy: 0.6334141750079179
Energy: 0.6340278018755264
Energy: 0.655653138135262
Energy: 0.7044414032090065
Energy: 0.6596929473619514
Energy: 0.8426107725142374
Energy: 0.66833249640082
Energy: 0.6701500215653585
Energy: 0.7133121402142836
Energy: 0.6901353247037018
Energy: 0.6993068912736131
Energy: 0.760732684440482
Energy: 0.6511501066887212
Energy: 0.6565818062676838
Energy: 0.713898417050636
Energy: 0.6493098937532528
Energy: 0.6589110267702648
Energy: 0.7961044742704458
Energy: 0.7191126924265073
Energy: 0.6812668804630935
Energy: 0.6928274643009051
Energy: 0.7200404385820114
Energy: 0.6828248667627279
Energy: 0.6472792909435845
Energy: 0.6058407084110025
Energy: 0.6050938416492193
Energy: 0.6087077134166958
Energy: 0.6091444081292617
Energy: 0.6054758902451421
Energy: 0.6498958748188568
Energy: 0.6092660856209671
Energy: 0.6092083003359547
Energy: 0.6107690896005109
Energy: 0.6071703241797343
Energy: 0.6095276513764821
Energy: 0.6474019534057287
Energy: 0.6086640196818055
Energy: 0.6079790487764213
Energy: 0.6083950637939602
Energy: 0.6077834128040575
Energy: 0.6079441205179392
Energy: 0.7048262980849956
Energy: 0.6784626958985454
Energy: 0.6507547632699489
Energy: 0.6732427579204766
Energy: 0.6742616742194258
Energy: 0.653996985934512
Energy: 0.6935149631174565
Energy: 0.6692268722108805
Energy: 0.6705085927509339
Energy: 0.6745144485493085
Energy: 0.7048369227799355
Energy: 0.6581224764306852
Energy: 0.6535736253701925
Energy: 0.6597409718995293
Energy: 0.6606892974374512
Energy: 0.6452981183764863
Energy: 0.6634260334271161
Energy: 0.6616537123785048

minimum gb energy = 0.6036272349639754 eV
minimum distance =  2.67174453499812 Angstroms
sigma value = 81


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

Energy: 1.5801304332571193
Energy: 0.6718380422025972
Energy: 0.7706038611090732
Energy: 0.7317682831486074
Energy: 0.6719143788532562
Energy: 0.7989218313878704
Energy: 0.764205227402028
Energy: 0.5852802465300432
Energy: 0.5847818858703874
Energy: 0.6216894243248396
Energy: 0.5854785384877867
Energy: 0.6243914389746988
Energy: 0.7687978420630966
Energy: 0.6637735720580615
Energy: 0.6632302828170914
Energy: 0.6197140243876468
Energy: 0.6625305839333152
Energy: 0.6292050073603211
Energy: 0.7646393857230452
Energy: 0.665954551859519
Energy: 0.6227760905264088
Energy: 0.6265182174797365
Energy: 0.6672588164877262
Energy: 0.6232198022666411
Energy: 0.8068037288200841
Energy: 0.6532536755378948
Energy: 0.6561593641445201
Energy: 0.6561725355609375
Energy: 0.6529565471326702
Energy: 0.7203464543663992
Energy: 0.6935812571780032
Energy: 0.6564672612398791
Energy: 0.6569172034648152
Energy: 0.6577488245840781
Energy: 0.654065973202681
Energy: 0.6544753092386185
Energy: 0.7989726286836483
Energy: 0.7470622789178156
Energy: 0.7476113965678229
Energy: 0.753921003253146
Energy: 0.745571766665335
Energy: 0.7469527852216
Energy: 0.7843823411609652
Energy: 0.7441271431657023
Energy: 0.7442304200204213
Energy: 0.7328975036600035
Energy: 0.7396188146551458
Energy: 0.763332047520802
Energy: 0.8473327152348145
Energy: 0.7479246898867589
Energy: 0.7492160588413025
Energy: 0.7633073984118052
Energy: 0.7464712423833616
Energy: 0.749455714164247
Energy: 0.8210743811031587
Energy: 0.7881263906823311
Energy: 0.7884915891580988
Energy: 0.7852154133014607
Energy: 0.7889684983819405
Energy: 0.7851080295596267
Energy: 0.83923957143878
Energy: 0.6891669872709839
Energy: 0.6524902277267832
Energy: 0.7729327050686216
Energy: 0.6913172812887994
Energy: 0.7903442420899598
Energy: 0.7391332643244738
Energy: 0.6869353030428624
Energy: 0.6861115140480961
Energy: 0.6684577466098442
Energy: 0.6879124752470308
Energy: 0.6870778911439711
Energy: 0.7398504722524952
Energy: 0.6864011023845663
Energy: 0.6893931394817644
Energy: 0.6626144806828318
Energy: 0.6864018257458322
Energy: 0.6635796413796418
Energy: 0.8327040182983181
Energy: 0.7385099662518296
Energy: 0.738626002285037
Energy: 0.5870612385874308
Energy: 0.7390115565866537
Energy: 0.7377677957001822
Energy: 0.8630793389766114
Energy: 0.7901119571705009
Energy: 0.777913012860719
Energy: 0.7792200947819258
Energy: 0.7783996504443423
Energy: 0.7787729806717131
Energy: 0.8613691126569544
Energy: 0.7756687426074786
Energy: 0.7797266921120736
Energy: 0.7729006864212178
Energy: 0.7806703344462746
Energy: 0.7803430127412695
Energy: 0.8678488162882901
Energy: 0.7656234263967556
Energy: 0.7242278154585279
Energy: 0.7968503885503794
Energy: 0.7214577834275919
Energy: 0.7189469221640468
Energy: 0.9354640769558842
Energy: 0.783394968960653
Energy: 0.8279881844977534
Energy: 0.8274223656630166
Energy: 0.7444581753821629
Energy: 0.8283073111239794
Energy: 0.7840731455120558
Energy: 0.7828676434331501
Energy: 0.6529376808773982
Energy: 0.668723657407721
Energy: 0.7808413730828502
Energy: 0.6541908684569716
Energy: 0.7836524361960184
Energy: 0.7855044031190227
Energy: 0.6485033897060601
Energy: 0.6501784697097137
Energy: 0.7859007930845324
Energy: 0.6487984831842198
Energy: 0.8036075277601011
Energy: 0.7248293422967103
Energy: 0.7273078356423025
Energy: 0.7614854847488463
Energy: 0.6904477052014661
Energy: 0.7674671102467576
Energy: 0.8166748445244625
Energy: 0.6617311617156435
Energy: 0.6619396666594931
Energy: 0.7219078761847086
Energy: 0.664778619209633
Energy: 0.6659899886389427
Energy: 0.8129838006086132
Energy: 0.7339220124359668
Energy: 0.7340270627386258
Energy: 0.7356394367838585
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Energy: 0.734715749578108
Energy: 0.8189443506632167
Energy: 0.7736681042505716
Energy: 0.7779816173061432
Energy: 0.7801771157832154
Energy: 0.7774631486081238
Energy: 0.7780227261510688
Energy: 0.8151718918475399
Energy: 0.7797274766730761
Energy: 0.7736482786013895
Energy: 0.7774485918127239
Energy: 0.7792011167125984
Energy: 0.7770396902523184
Energy: 0.8145541744098025
Energy: 0.7465771665777592
Energy: 0.7466586299988782
Energy: 0.7260578564307301
Energy: 0.746052368633567
Energy: 0.7462266921111175
Energy: 0.8135139479632689
Energy: 0.7464766404328685
Energy: 0.7464414946441096
Energy: 0.7187751072840837
Energy: 0.7458671750230201
Energy: 0.7461932094070917
Energy: 0.8166265342826614
Energy: 0.7430354706087167
Energy: 0.6588605932028821
Energy: 0.7736662677529881
Energy: 0.7468090266908765
Energy: 0.6503632967801073
Energy: 0.827473304553929
Energy: 0.7883141248911018
Energy: 0.7862366426899379
Energy: 0.7886873241862377
Energy: 0.7886324551882326
Energy: 0.7876855259783332
Energy: 0.7809697054123091
Energy: 0.6911666208910483
Energy: 0.6918475797100189
Energy: 0.6902462593053016
Energy: 0.6896685986232497
Energy: 0.6914327418037914
Energy: 0.7436136016895497
Energy: 0.6947366548177634
Energy: 0.6952336308803291
Energy: 0.6638464995867887
Energy: 0.6983072194566897
Energy: 0.6617660809855741
Energy: 0.8005271449061174
Energy: 0.6898046218527455
Energy: 0.6897528078116271
Energy: 0.6923293277792504
Energy: 0.6913776205196186
Energy: 0.6898105696140542
Energy: 0.858458017167251
Energy: 0.6533591093664944
Energy: 0.6556024775034438
Energy: 0.6537840521988605
Energy: 0.6574350179876612
Energy: 0.6535485556372004
Energy: 0.8574972258206218
Energy: 0.6536942019613355
Energy: 0.6569918813202367
Energy: 0.6489387107597547
Energy: 0.654575250899523
Energy: 0.6496568316915065
Energy: 0.8921390200810456
Energy: 0.6498395645711806
Energy: 0.696003855038632
Energy: 0.6866802111355912
Energy: 0.716448920299061
Energy: 0.6964396388649918
Energy: 0.8426449620035918
Energy: 0.7212195999245714
Energy: 0.7221722346490674
Energy: 0.6713919871095295
Energy: 0.7211439276789764
Energy: 0.6810730241271441
Energy: 0.904743083742028
Energy: 0.6548954103151184
Energy: 0.6530068671223068
Energy: 0.7026869255844577
Energy: 0.658815604324669
Energy: 0.7015501929964466
Energy: 0.8178677532925634
Energy: 0.6592290768264623
Energy: 0.6511547302857729
Energy: 0.6522287315205942
Energy: 0.6597573906381567
Energy: 0.7069454833276808

minimum gb energy = 0.5847818858703874 eV
minimum distance =  2.46876677189651 Angstroms
sigma value = 43


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

Energy: 0.8977672568428928
Energy: 0.6418784117180899
Energy: 0.6047536402044308
Energy: 0.6974016321431318
Energy: 0.6406089033124868
Energy: 0.724711137809271
Energy: 0.6533848330539529
Energy: 0.5866280187919417
Energy: 0.603992443774492
Energy: 0.6425946668919146
Energy: 0.5852532326431711
Energy: 0.6051423101828548
Energy: 0.6631520931989309
Energy: 0.6260660351868531
Energy: 0.6259896628712479
Energy: 0.6529830727002937
Energy: 0.6256605379873089
Energy: 0.6480871920101519
Energy: 0.6543693455302134
Energy: 0.626260053839358
Energy: 0.604360643016225
Energy: 0.6447329434113436
Energy: 0.6261565765442174
Energy: 0.6552140610445781
Energy: 0.6202840807752571
Energy: 0.5713790758621059
Energy: 0.5714554094500306
Energy: 0.5722670606780218
Energy: 0.571285743255451
Energy: 0.5714423357421785
Energy: 0.6174085252957444
Energy: 0.5713919620805459
Energy: 0.5714617590703391
Energy: 0.5715105481076691
Energy: 0.5715610764752252
Energy: 0.5714424684809637
Energy: 0.6169632219137047
Energy: 0.5722837021418498
Energy: 0.5724419457788873
Energy: 0.5728095647715373
Energy: 0.5723736068038004
Energy: 0.5724261530972977
Energy: 0.6868733134702574
Energy: 0.6514595526572142
Energy: 0.649902369929621
Energy: 0.6130601794516267
Energy: 0.6523395700326421
Energy: 0.6640329499610035
Energy: 0.6176274055394431
Energy: 0.64382520388094
Energy: 0.6443152678941172
Energy: 0.5840623620571707
Energy: 0.6501676991454363
Energy: 0.6455500258520127
Energy: 0.7625266537009887
Energy: 0.6688480095888192
Energy: 0.6612352882565912
Energy: 0.6338661987910881
Energy: 0.6698339765329179
Energy: 0.6726456895094453
Energy: 0.6213807851031551
Energy: 0.6384345700223493
Energy: 0.6370668417216777
Energy: 0.5856041378549264
Energy: 0.6676340986551151
Energy: 0.584464096847003
Energy: 0.7127896261520342
Energy: 0.6459267188547398
Energy: 0.6490089325192754
Energy: 0.5899988785373438
Energy: 0.6494418210050359
Energy: 0.6476009575508048
Energy: 0.7170676028647924
Energy: 0.6436908135172338
Energy: 0.6677749800865928
Energy: 0.6297603837208092
Energy: 0.64897317515187
Energy: 0.6714146941134296
Energy: 0.6190706924099092
Energy: 0.5839889646178419
Energy: 0.583974685580798
Energy: 0.5851092876632736
Energy: 0.5845813647648157
Energy: 0.5839910779115383
Energy: 0.6175887494235041
Energy: 0.5860601514353649
Energy: 0.584835641245117
Energy: 0.5861994167433103
Energy: 0.572676382301996
Energy: 0.5846806001337428
Energy: 0.6156781642792571
Energy: 0.5729338517456625
Energy: 0.5757585272856742
Energy: 0.590862797061595
Energy: 0.572819252645445
Energy: 0.5760690780609791
Energy: 0.6620241923917569
Energy: 0.6126790758946501
Energy: 0.6129883654613594
Energy: 0.610411181752134
Energy: 0.5886726747940221
Energy: 0.6122821745776161
Energy: 0.6329147805246741
Energy: 0.6105553123047676
Energy: 0.6106506554747011
Energy: 0.6122582070840261
Energy: 0.6095239799531199
Energy: 0.6106856734305818
Energy: 0.6937172505831714
Energy: 0.6112674749349688
Energy: 0.6119568787239404
Energy: 0.6712822216913567
Energy: 0.6134643635474328
Energy: 0.6528272046136597
Energy: 0.7358137810097723
Energy: 0.6113359137514047
Energy: 0.6120382794368314
Energy: 0.6714622119095804
Energy: 0.6134607439704686
Energy: 0.655978820813495
Energy: 0.6350539002839445
Energy: 0.6594527894739538
Energy: 0.6098196024234787
Energy: 0.6129987016667521
Energy: 0.598120296130627
Energy: 0.6101395689797878
Energy: 0.677983486998339
Energy: 0.6708720497462866
Energy: 0.7408636800926796
Energy: 0.6142939922471117
Energy: 0.6471583695296198
Energy: 0.7379525226643603
Energy: 0.722290097227262
Energy: 0.6126902736420533
Energy: 0.6134282465156276
Energy: 0.6047982491570786
Energy: 0.612270795803043
Energy: 0.6130235994411486
Energy: 0.6619336141049934
Energy: 0.6117699853533672
Energy: 0.6123408027180356
Energy: 0.5980914715669086
Energy: 0.6119507496449764
Energy: 0.6113582813874702
Energy: 0.7226101865095751
Energy: 0.6138087069833339
Energy: 0.6113550779964181
Energy: 0.5946576374140868
Energy: 0.6148626937607042
Energy: 0.6112061929661496
Energy: 0.6448467592012738
Energy: 0.5853151657831851
Energy: 0.5854286654656562
Energy: 0.5845215857957845
Energy: 0.5843691788696808
Energy: 0.5855731443907468
Energy: 0.6458965941093131
Energy: 0.584854108960189
Energy: 0.5848101417494534
Energy: 0.583571060988579
Energy: 0.5846480308392943
Energy: 0.584523135049222
Energy: 0.6424335356294623
Energy: 0.5880076007108329
Energy: 0.5878184415179561
Energy: 0.584335363559226
Energy: 0.5888460998644723
Energy: 0.5845431216357417
Energy: 0.6630139443418924
Energy: 0.6484534643020841
Energy: 0.6547750649399339
Energy: 0.6726671490590453
Energy: 0.6246947502823781
Energy: 0.6123436501528907
Energy: 0.6529674008395694
Energy: 0.5856128699141978
Energy: 0.5854257569188529
Energy: 0.6424701542856217
Energy: 0.585218521186973
Energy: 0.6452960568018533
Energy: 0.7589510309660116
Energy: 0.6046080419273447
Energy: 0.6392859098273379
Energy: 0.6960109967400332
Energy: 0.6044162661437678
Energy: 0.63429155738053

minimum gb energy = 0.571285743255451 eV
minimum distance =  2.66819397163555 Angstroms
sigma value = 57


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

Energy: 0.8087472152365883
Energy: 0.6639608927800504
Energy: 0.7289940556059185
Energy: 0.5826967118284642
Energy: 0.6935334486737422
Energy: 0.6986227888402076
Energy: 0.736513303971193
Energy: 0.5616079672298685
Energy: 0.5597969852634049
Energy: 0.5589246975967364
Energy: 0.559074624752793
Energy: 0.5596183042118336
Energy: 0.6295905237369203
Energy: 0.5646019748789387
Energy: 0.5640691953177438
Energy: 0.6129881659271003
Energy: 0.5652071504469328
Energy: 0.5637486894385791
Energy: 0.667503583864254
Energy: 0.5641515067152224
Energy: 0.5635066839310531
Energy: 0.5585307965823324
Energy: 0.563705522974596
Energy: 0.5596314175389588
Energy: 0.6079839117986205
Energy: 0.5624262306065649
Energy: 0.558009042998559
Energy: 0.5587870524945542
Energy: 0.5629779976342483
Energy: 0.563390125898917
Energy: 0.5942582076783406
Energy: 0.5575228549120426
Energy: 0.5576087075232445
Energy: 0.5575225719420243
Energy: 0.5576643275462996
Energy: 0.557651093923036
Energy: 0.6905103897838071
Energy: 0.5616969848295265
Energy: 0.5600368267827307
Energy: 0.559322752907087
Energy: 0.5592060280301446
Energy: 0.5730789297764218
Energy: 0.6073707729302577
Energy: 0.6119888742702713
Energy: 0.6121324485995242
Energy: 0.5680550119641488
Energy: 0.6224973126483148
Energy: 0.6119493988746039
Energy: 0.6893799505750492
Energy: 0.6113097072114597
Energy: 0.6116053990873894
Energy: 0.5651818818062232
Energy: 0.6102494742991785
Energy: 0.559896574721863
Energy: 0.6264901438500183
Energy: 0.618233335573536
Energy: 0.6313503714081165
Energy: 0.6223482580388099
Energy: 0.6194323738123022
Energy: 0.6275722141691428
Energy: 0.6295575716799553
Energy: 0.5775137288990463
Energy: 0.5588372141937119
Energy: 0.6130557668774843
Energy: 0.5730134416634117
Energy: 0.6111407997669248
Energy: 0.5897665098783592
Energy: 0.6116649936720049
Energy: 0.6117505875684357
Energy: 0.5605710948442252
Energy: 0.6112857035882501
Energy: 0.6286212719549671
Energy: 0.5884191003623901
Energy: 0.6125990842195516
Energy: 0.6526980292714732
Energy: 0.6661242675362445
Energy: 0.6182146880715994
Energy: 0.662802502446995
Energy: 0.6292324863916007
Energy: 0.5615421138369718
Energy: 0.5597149366833684
Energy: 0.6115054315921453
Energy: 0.5642292303388712
Energy: 0.5595820845035477
Energy: 0.6297663861699538
Energy: 0.5620972992197244
Energy: 0.5612379779366866
Energy: 0.6213546619236117
Energy: 0.5587021135000421
Energy: 0.5635233783350938
Energy: 0.669170657623492
Energy: 0.5604315651876294
Energy: 0.5589372186655492
Energy: 0.5603781439045156
Energy: 0.5597542736795242
Energy: 0.5595566840779668
Energy: 0.6036221537749553
Energy: 0.5631714849109697
Energy: 0.5578066207900303
Energy: 0.5578686568558828
Energy: 0.5577424890574739
Energy: 0.5626686631589312
Energy: 0.6080199423069702
Energy: 0.56282602479008
Energy: 0.5628923284539675
Energy: 0.5583190018212716
Energy: 0.5579988767621992
Energy: 0.5628163478301912
Energy: 0.692561198067217
Energy: 0.6131045368905292
Energy: 0.6132002371520738
Energy: 0.5637848962597022
Energy: 0.6198546662889252
Energy: 0.6137425362988714
Energy: 0.6916129103080783
Energy: 0.6127249500241967
Energy: 0.6127291412405679
Energy: 0.6115448343994307
Energy: 0.6125355187991628
Energy: 0.6118718700015602
Energy: 0.6880088084043052
Energy: 0.6138057348897122
Energy: 0.5609155352847255
Energy: 0.5589182244874833
Energy: 0.6140008562850781
Energy: 0.559767408092771
Energy: 0.7075753403330418
Energy: 0.6290171133467086
Energy: 0.6567518969218306
Energy: 0.66371040916855
Energy: 0.6189050929040867
Energy: 0.6704949478872713
Energy: 0.6272323092017917
Energy: 0.6104734809494559
Energy: 0.5627268371183554
Energy: 0.6104604705145684
Energy: 0.6063831552213517
Energy: 0.5596623125512438
Energy: 0.5882108507666278
Energy: 0.6124953894295807
Energy: 0.6529763314668128
Energy: 0.6657802178689773
Energy: 0.6129284178080886
Energy: 0.6622774967827983

minimum gb energy = 0.5575225719420243 eV
minimum distance =  2.67643962804543 Angstroms
sigma value = 17


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

Energy: 0.8490507236345699
Energy: 0.7008109586199526
Energy: 0.6225852770007104
Energy: 0.5411354781534335
Energy: 0.7038506428123265
Energy: 0.5417076821694354
Energy: 0.7300225359312613
Energy: 0.54508635477884
Energy: 0.5453456715126828
Energy: 0.6594702317959424
Energy: 0.54514240304623
Energy: 0.547562616131413
Energy: 0.6781661933131602
Energy: 0.5252880696992125
Energy: 0.5243738847053427
Energy: 0.5592724026013106
Energy: 0.526327850822361
Energy: 0.5232758949582664
Energy: 0.6888201143568865
Energy: 0.5257989036266129
Energy: 0.5248654383559677
Energy: 0.6353282952405813
Energy: 0.5256889059359765
Energy: 0.546800148907003
Energy: 0.6833430943066557
Energy: 0.5084321887216273
Energy: 0.5085125529274747
Energy: 0.5147939181661343
Energy: 0.5086864146781288
Energy: 0.5091375118465116
Energy: 0.5990755663341726
Energy: 0.5136404138210736
Energy: 0.5136236252883247
Energy: 0.5023058885308042
Energy: 0.5137389724623177
Energy: 0.5012648773107449
Energy: 0.6250738013575514
Energy: 0.5016834862135939
Energy: 0.49958507242979805
Energy: 0.5015546152055885
Energy: 0.4989259465933466
Energy: 0.4998351856702112
Energy: 0.5787466768032693
Energy: 0.49680627689072654
Energy: 0.4969283348807686
Energy: 0.4970887424794479
Energy: 0.49739217404755015
Energy: 0.49761744061955715
Energy: 0.5386881160860325
Energy: 0.4999080614578691
Energy: 0.5000149525342419
Energy: 0.5041213096226405
Energy: 0.4971514473586297
Energy: 0.49999426646043005
Energy: 0.5768320012269181
Energy: 0.5141846063506386
Energy: 0.5140100640447235
Energy: 0.5126733408976758
Energy: 0.5141821446043124
Energy: 0.5139518941261846
Energy: 0.6228540211408303
Energy: 0.5101059789670849
Energy: 0.5093524229433982
Energy: 0.5089548780674409
Energy: 0.510142942235657
Energy: 0.5087338808237701
Energy: 0.6833440525086182
Energy: 0.5446175934091972
Energy: 0.5463412967589567
Energy: 0.5174291069982762
Energy: 0.54440604294548
Energy: 0.5465947031246919
Energy: 0.6840646239540794
Energy: 0.5589816654698212
Energy: 0.5589024542955966
Energy: 0.5183508971110053
Energy: 0.5592411108446141
Energy: 0.5590978897465618
Energy: 0.7070345313401665
Energy: 0.5601261390914165
Energy: 0.5319665518649018
Energy: 0.5469366795531735
Energy: 0.5577346079465112
Energy: 0.5316993061760872
Energy: 0.681108744865895
Energy: 0.58172219068701
Energy: 0.5836701798546863
Energy: 0.5599018448884465
Energy: 0.6250148192017088
Energy: 0.5837897177299083
Energy: 0.7307415659355452
Energy: 0.5461717907499298
Energy: 0.5473969394173573
Energy: 0.5588406227155879
Energy: 0.5609704361206531
Energy: 0.5471440782837449
Energy: 0.723343755813357
Energy: 0.5588881447176678
Energy: 0.604596021677842
Energy: 0.5364672813610952
Energy: 0.5587887334421393
Energy: 0.5936825126914257

minimum gb energy = 0.49680627689072654 eV
minimum distance =  2.66760858139497 Angstroms
sigma value = 17


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

Energy: 0.5897994671619784
Energy: 0.6180624977723096
Energy: 0.5315837279764846
Energy: 0.4954808814238161
Energy: 0.6183636004952691
Energy: 0.49272508943394233
Energy: 0.7525138322672822
Energy: 0.4918300528744378
Energy: 0.49393585380179067
Energy: 0.5189265665116778
Energy: 0.5145894591378505
Energy: 0.4952275176048119
Energy: 0.7970556881028419
Energy: 0.4619780758486191
Energy: 0.48487563818909296
Energy: 0.5118442383104977
Energy: 0.46233611478164544
Energy: 0.48402303457338064
Energy: 0.6876682850213451
Energy: 0.48532208557810347
Energy: 0.484654117409283
Energy: 0.5976026040484287
Energy: 0.4592853078228211
Energy: 0.4838572340965024
Energy: 0.6144979393788943
Energy: 0.47675972446615955
Energy: 0.46953387098965077
Energy: 0.48076344082579286
Energy: 0.46890704487639345
Energy: 0.4699262694972902
Energy: 0.5691608232002644
Energy: 0.46825234445734804
Energy: 0.4563813072535447
Energy: 0.4590263341258387
Energy: 0.46823649453976024
Energy: 0.4567581997268061
Energy: 0.5802879300061472
Energy: 0.47783321368624193
Energy: 0.4556065660810074
Energy: 0.45902754609406066
Energy: 0.4758110882616858
Energy: 0.45508022839598394
Energy: 0.5755279252761173
Energy: 0.44866605253726405
Energy: 0.4515516211695888
Energy: 0.4560247176986562
Energy: 0.4498649662874601
Energy: 0.45333073970760057
Energy: 0.5936534666063661
Energy: 0.4529079596271778
Energy: 0.452780804434695
Energy: 0.5208499529927225
Energy: 0.4577183654623803
Energy: 0.4576429009719646
Energy: 0.5252759890126225
Energy: 0.4554068172888324
Energy: 0.4552316472097875
Energy: 0.4677953854095556
Energy: 0.4551077281522658
Energy: 0.4552632493472798
Energy: 0.5240361981393619
Energy: 0.453759553675174
Energy: 0.4542212320156682
Energy: 0.45396006612875567
Energy: 0.447747286180314
Energy: 0.45438710657398695
Energy: 0.5852000863820163
Energy: 0.4578457507977474
Energy: 0.4582912403939078
Energy: 0.4584415255992525
Energy: 0.4536031977991484
Energy: 0.4526700391856946
Energy: 0.5501902136326803
Energy: 0.4514227719635831
Energy: 0.45091438683084195
Energy: 0.45287270184957407
Energy: 0.4566391563910519
Energy: 0.45128939403113943
Energy: 0.6060791122033193
Energy: 0.45504643000662315
Energy: 0.45500530448295495
Energy: 0.4746924985058824
Energy: 0.45756363350534995
Energy: 0.45501773137871254
Energy: 0.6052499043585446
Energy: 0.46255219899666344
Energy: 0.4622496762559325
Energy: 0.4684648620818025
Energy: 0.46117234371942556
Energy: 0.4692358684548162
Energy: 0.6042077329649825
Energy: 0.4692138699093826
Energy: 0.46989371596307217
Energy: 0.47309789811062186
Energy: 0.5033865646823502
Energy: 0.47038974822053253
Energy: 0.5929429976628365
Energy: 0.6045991506702301
Energy: 0.5045736060930676
Energy: 0.47496945720618433
Energy: 0.513494375454656
Energy: 0.4737459731701003
Energy: 0.6145533943874015
Energy: 0.5123751313749698
Energy: 0.5126910440548477
Energy: 0.47398355196570013
Energy: 0.5120516991222062
Energy: 0.47332148934286367
Energy: 0.6888522722088215
Energy: 0.5135749512677178
Energy: 0.49582375140368806
Energy: 0.5148881048264897
Energy: 0.47290864460434406
Energy: 0.49419862495429323
Energy: 0.6579427107286016
Energy: 0.4937169948740876
Energy: 0.493291819822613
Energy: 0.514661991304441
Energy: 0.4941871330633012
Energy: 0.539883204776996
Energy: 0.692214032160232
Energy: 0.5185089677727505
Energy: 0.4954655179621626
Energy: 0.5224088739703101
Energy: 0.5191831856561228
Energy: 0.49497285316274514
Energy: 0.5907245687176996
Energy: 0.5382488933599663
Energy: 0.5462121405663365
Energy: 0.4918818736076588
Energy: 0.5381232177875149
Energy: 0.49048379020883925
Energy: 0.6728262214369172
Energy: 0.5154245598231634
Energy: 0.49218224490374585
Energy: 0.49162304595537004
Energy: 0.5148665639913053
Energy: 0.5276451392743741
Energy: 0.6911158951867057
Energy: 0.47644590086022753
Energy: 0.5134152779901673
Energy: 0.5129008252658762
Energy: 0.4897046505514986
Energy: 0.5137866392513379
Energy: 0.6776507880613268
Energy: 0.46229226170432475
Energy: 0.48499092607441263
Energy: 0.513172789714972
Energy: 0.4630582325483103
Energy: 0.4842853885349539
Energy: 0.680199562023938
Energy: 0.4736644531857524
Energy: 0.47345254451655544
Energy: 0.4916223048216689
Energy: 0.4737124789778903
Energy: 0.47386591173265546
Energy: 0.5698302808518403
Energy: 0.47112707583340463
Energy: 0.4691903557014459
Energy: 0.45881954671478264
Energy: 0.47123339936078046
Energy: 0.47359026712396246
Energy: 0.5839414607324316
Energy: 0.4772966905269845
Energy: 0.46915422177372185
Energy: 0.4629749277651891
Energy: 0.4704195733722574
Energy: 0.47199481530712417
Energy: 0.5733330893178026
Energy: 0.4529433668225078
Energy: 0.4528516064846535
Energy: 0.4530086050007561
Energy: 0.4531788769301249
Energy: 0.4573406120227782
Energy: 0.588563373717916
Energy: 0.44872097407863065
Energy: 0.4519113223649233
Energy: 0.45205757752642944
Energy: 0.44953861993204147
Energy: 0.451162381804872
Energy: 0.5914325956317131
Energy: 0.45141568975176927
Energy: 0.4513549532644044
Energy: 0.5909350936929796
Energy: 0.4504308506398949
Energy: 0.4523786649690542
Energy: 0.5259122260304915
Energy: 0.45145362020618574
Energy: 0.45236966216206737
Energy: 0.45339487471241
Energy: 0.45156224700116826
Energy: 0.4525576592933016
Energy: 0.5858350496121015
Energy: 0.5256841947252874
Energy: 0.525533494669014
Energy: 0.4522684171796472
Energy: 0.5259493573945834
Energy: 0.5233394452224597
Energy: 0.5504041850957451
Energy: 0.45510785519423624
Energy: 0.45506383581047066
Energy: 0.4544002496801749
Energy: 0.45781229118422556
Energy: 0.4551183923813287
Energy: 0.6061337010244346
Energy: 0.45483493246205847
Energy: 0.4558344000219965
Energy: 0.5379854641161079
Energy: 0.45476198892555647
Energy: 0.45551249509436004
Energy: 0.6138138691421203
Energy: 0.4562534453075829
Energy: 0.4696900196967642
Energy: 0.4686501051146548
Energy: 0.4565775023944597
Energy: 0.4687537654757165
Energy: 0.5417741130113675
Energy: 0.4700373080055519
Energy: 0.469576219921966
Energy: 0.4683886424400201
Energy: 0.4703954060972116
Energy: 0.4685486447562324
Energy: 0.5876765202132754
Energy: 0.5144830260306383
Energy: 0.49489373033892403
Energy: 0.46885111084962255
Energy: 0.513558669727278
Energy: 0.4761978320305158
Energy: 0.5792986839924029
Energy: 0.512563025416682
Energy: 0.49331265821411674
Energy: 0.47553958058390783
Energy: 0.5143062518425945
Energy: 0.4929279649362176
Energy: 0.6861501356577351
Energy: 0.5195742729994234
Energy: 0.5142301221647572
Energy: 0.47283820444006736
Energy: 0.521114085217692
Energy: 0.4951430245272933
Energy: 0.7537404012910984
Energy: 0.4802967565951124
Energy: 0.5439041917162172
Energy: 0.5413582684202247
Energy: 0.480460603142651
Energy: 0.5419562047356922
Energy: 0.6938151559530263
Energy: 0.5096787207641212
Energy: 0.5085832426029969
Energy: 0.5122956630034348
Energy: 0.5096003964434737
Energy: 0.5127567551558119
Energy: 0.6778063783078392
Energy: 0.5117755250384176
Energy: 0.5124552238728152
Energy: 0.5163982460567978
Energy: 0.5115724013587466
Energy: 0.5274963280584989

minimum gb energy = 0.447747286180314 eV
minimum distance =  2.66770871133878 Angstroms
sigma value = 57


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

Energy: 0.5425254389586598
Energy: 0.5971307179432198
Energy: 0.4876909154412248
Energy: 0.43419785257180216
Energy: 0.6208574857576866
Energy: 0.4879788106223317
Energy: 0.6993803709069619
Energy: 0.4397292844788276
Energy: 0.4395891778059845
Energy: 0.47570773470739053
Energy: 0.47867281083260715
Energy: 0.45767855412355946
Energy: 0.7560038562327572
Energy: 0.42488947634834967
Energy: 0.4249560525678358
Energy: 0.46880333372426314
Energy: 0.4249466649096105
Energy: 0.4465881155676012
Energy: 0.6379848366708073
Energy: 0.4246910553751007
Energy: 0.44681926408414213
Energy: 0.46926420802480107
Energy: 0.4233298372451637
Energy: 0.44692762023465543
Energy: 0.5725219786931228
Energy: 0.4411762081365274
Energy: 0.4407239835393485
Energy: 0.4418289179654809
Energy: 0.4414196267851923
Energy: 0.4407952140402215
Energy: 0.5357975740183895
Energy: 0.43245259637257377
Energy: 0.4219026531588984
Energy: 0.41668513591780076
Energy: 0.4322728414202484
Energy: 0.4227151456689713
Energy: 0.5473457586048657
Energy: 0.44103741636229166
Energy: 0.43783759212319406
Energy: 0.4184869101134724
Energy: 0.44076371180656815
Energy: 0.4179824612370722
Energy: 0.5476373027386585
Energy: 0.4116118275796825
Energy: 0.41213647001355513
Energy: 0.4221203185364728
Energy: 0.4111738744150926
Energy: 0.41641191786335147
Energy: 0.5497441595488773
Energy: 0.4183550307387561
Energy: 0.421143058286906
Energy: 0.41952770892903374
Energy: 0.4673464772018576
Energy: 0.42355344143127627
Energy: 0.5504043513051327
Energy: 0.41116545153732065
Energy: 0.411122654737291
Energy: 0.41826946844342394
Energy: 0.4114181388773157
Energy: 0.4109740721839353
Energy: 0.5409984006738269
Energy: 0.407359202626415
Energy: 0.4071182993750417
Energy: 0.40813056808587245
Energy: 0.411293951441173
Energy: 0.40757133740200036
Energy: 0.5473460493243931
Energy: 0.5193633686028447
Energy: 0.41362987554986697
Energy: 0.4121373854413192
Energy: 0.4660174350860741
Energy: 0.4136942694591864
Energy: 0.5278176858220296
Energy: 0.4800599183013331
Energy: 0.47923901420652465
Energy: 0.4080952006733204
Energy: 0.4797937038037132
Energy: 0.41623990913726067
Energy: 0.5392000336441977
Energy: 0.4112708169195217
Energy: 0.41146455106491936
Energy: 0.4667623238298151
Energy: 0.4116350190634611
Energy: 0.5216025003484573
Energy: 0.5381516444490408
Energy: 0.4090315948897083
Energy: 0.4079269679682437
Energy: 0.4516408757716348
Energy: 0.4090810559296236
Energy: 0.40726214121650867
Energy: 0.5579245507251782
Energy: 0.4541060264334763
Energy: 0.413640198707999
Energy: 0.4096520726574659
Energy: 0.4181407851940593
Energy: 0.4139969353179873
Energy: 0.5396029053863223
Energy: 0.414919004635743
Energy: 0.4152079263429228
Energy: 0.40972202410254527
Energy: 0.42407184040537366
Energy: 0.4157671038070026
Energy: 0.5548087671926628
Energy: 0.41516480654085536
Energy: 0.41552009925703465
Energy: 0.4773002318440864
Energy: 0.4153892183173176
Energy: 0.4162103541548612
Energy: 0.5717649498728413
Energy: 0.4187317950318022
Energy: 0.41867378183662773
Energy: 0.44131120391445466
Energy: 0.42335091580424045
Energy: 0.4398834833616896
Energy: 0.5722188465370106
Energy: 0.41998113524678143
Energy: 0.42219596334745396
Energy: 0.438845870229478
Energy: 0.43315551001943414
Energy: 0.4397364997563397
Energy: 0.6476129252155659
Energy: 0.4392529301078825
Energy: 0.4382292655438148
Energy: 0.43927181178020763
Energy: 0.4392503800126177
Energy: 0.4387542900865989
Energy: 0.5391663430827078
Energy: 0.46963276275484495
Energy: 0.43567555363176114
Energy: 0.4202563849885363
Energy: 0.46951234246446166
Energy: 0.436173106796982
Energy: 0.5816054673705647
Energy: 0.46899513443612045
Energy: 0.46925027512475587
Energy: 0.44685541948723656
Energy: 0.46841112121525474
Energy: 0.4699103712225912
Energy: 0.699208943694265
Energy: 0.4394856089140766
Energy: 0.4333200216960985
Energy: 0.4424827057881879
Energy: 0.44012619799809194
Energy: 0.4338881786328905
Energy: 0.7423614207766562
Energy: 0.4431971731101498
Energy: 0.4540548961735285
Energy: 0.48562138852873493
Energy: 0.44077052862062993
Energy: 0.4895579348975975
Energy: 0.760655511460963
Energy: 0.4766913076065924
Energy: 0.4374444012452913
Energy: 0.4770367975635711
Energy: 0.4763217689842012
Energy: 0.4574776606187942
Energy: 0.5415684876076332
Energy: 0.4857669745125563
Energy: 0.4674297754284325
Energy: 0.42861601754046763
Energy: 0.4859699896862307
Energy: 0.4679471064223504

minimum gb energy = 0.4071182993750417 eV
minimum distance =  2.67925809225529 Angstroms
sigma value = 43


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

Energy: 0.4515967822832457
Energy: 0.4747292664693764
Energy: 0.4256875538844796
Energy: 0.3668682929968293
Energy: 0.47437096543464663
Energy: 0.40812219872931566
Energy: 0.6247375917544379
Energy: 0.3522407591122043
Energy: 0.352209463706601
Energy: 0.3789487086184917
Energy: 0.35175344083909915
Energy: 0.3519843236384269
Energy: 0.6286924669076618
Energy: 0.3524829704458291
Energy: 0.3583084129154676
Energy: 0.3752932177115168
Energy: 0.3519733917499343
Energy: 0.35816253873470205
Energy: 0.5504267860577822
Energy: 0.3583561107417318
Energy: 0.3580408903624038
Energy: 0.35153319596527527
Energy: 0.4340606475323213
Energy: 0.366663508381088
Energy: 0.4934484432817014
Energy: 0.3518560245993743
Energy: 0.35224252007522433
Energy: 0.35509160507853854
Energy: 0.35161770945262566
Energy: 0.352660967908638
Energy: 0.4411446315657072
Energy: 0.35254290725814136
Energy: 0.3488089504595634
Energy: 0.38758825457362095
Energy: 0.3518779935377381
Energy: 0.34604051045515816
Energy: 0.5479680780259577
Energy: 0.35642606693004314
Energy: 0.36659649373621767
Energy: 0.3430315550513369
Energy: 0.3523938121647081
Energy: 0.34146008154364715
Energy: 0.5867819459888316
Energy: 0.338424868604745
Energy: 0.3384204622717405
Energy: 0.4009932896490565
Energy: 0.33856513463246973
Energy: 0.3668762448935592
Energy: 0.4673992831064477
Energy: 0.38197562608374397
Energy: 0.34148363827428696
Energy: 0.3847667518851687
Energy: 0.34494199192855174
Energy: 0.38453521828507226
Energy: 0.46033021277927655
Energy: 0.3369228395740018
Energy: 0.33656621006965476
Energy: 0.3414679578239274
Energy: 0.33680267358245897
Energy: 0.3360803684359313
Energy: 0.4382334031395092
Energy: 0.33273187927300607
Energy: 0.3327391292298992
Energy: 0.3350797752456779
Energy: 0.3602646481928942
Energy: 0.3324969859659099
Energy: 0.46839769888686
Energy: 0.402652476941303
Energy: 0.33351648085149316
Energy: 0.3355589128975798
Energy: 0.4186760995532062
Energy: 0.335143067988257
Energy: 0.4676735300520702
Energy: 0.37684601961699615
Energy: 0.3794629216180241
Energy: 0.3370949593405146
Energy: 0.37373946281426607
Energy: 0.37798845535916914
Energy: 0.44339873860456974
Energy: 0.3712974257319051
Energy: 0.40733207287603734
Energy: 0.4091700550959313
Energy: 0.3752277470068305
Energy: 0.4085779500937253
Energy: 0.44297341245966604
Energy: 0.33335502732073324
Energy: 0.3334847918708773
Energy: 0.3765429507349728
Energy: 0.3332743844583004
Energy: 0.33204399442754007
Energy: 0.4401132169264722
Energy: 0.39611740331491074
Energy: 0.32949937303168775
Energy: 0.3303380646747315
Energy: 0.4145342413111802
Energy: 0.3291775022518312
Energy: 0.4456234725938657
Energy: 0.4149453774705321
Energy: 0.3559621974348664
Energy: 0.33323511228032915
Energy: 0.4058519378977852
Energy: 0.33218929429625504
Energy: 0.4391859803070231
Energy: 0.3728238625378888
Energy: 0.33336436677716924
Energy: 0.3548868695300583
Energy: 0.3733765795629553
Energy: 0.33513097453376767
Energy: 0.4397230197073422
Energy: 0.3721013009994943
Energy: 0.40322148061687973
Energy: 0.4049906082842145
Energy: 0.37155886716211406
Energy: 0.40547916812769746
Energy: 0.43873241752419184
Energy: 0.37069425349932866
Energy: 0.3377154686634863
Energy: 0.3374684314119353
Energy: 0.3710356498423211
Energy: 0.3378188918006693
Energy: 0.4542987672307058
Energy: 0.3541087238836742
Energy: 0.3374397149649924
Energy: 0.3363549122540222
Energy: 0.41048395321436704
Energy: 0.3381396491410692
Energy: 0.4403573544329176
Energy: 0.3792509867055413
Energy: 0.3295597089749485
Energy: 0.33097746978380094
Energy: 0.3316854746497741
Energy: 0.3298039944585035
Energy: 0.45403494058239485
Energy: 0.3337272150495803
Energy: 0.33384802016953574
Energy: 0.35805110233679344
Energy: 0.33327439140815207
Energy: 0.3335667758000638
Energy: 0.4521381468087255
Energy: 0.3778170194075959
Energy: 0.4167742343682692
Energy: 0.41797538627865477
Energy: 0.33865166117432083
Energy: 0.41755938950633503
Energy: 0.48968503025252025
Energy: 0.38218497158348985
Energy: 0.38410049161666965
Energy: 0.3364464366214796
Energy: 0.37868357039686706
Energy: 0.3844684424152866
Energy: 0.4905774013192544
Energy: 0.34232608045203794
Energy: 0.3426390836695116
Energy: 0.33413671836249154
Energy: 0.3852288790383892
Energy: 0.33288297995955946
Energy: 0.4398649119932225
Energy: 0.3394615353787888
Energy: 0.33966719186507044
Energy: 0.33902080522917327
Energy: 0.3406451646819936
Energy: 0.3385737784977525
Energy: 0.48133743111352056
Energy: 0.3398145121085381
Energy: 0.3428311312375026
Energy: 0.3533357896236347
Energy: 0.3442062381643251
Energy: 0.34030070313882715
Energy: 0.4900988527037045
Energy: 0.3481233370159553
Energy: 0.352355113679248
Energy: 0.3514090407948628
Energy: 0.3506857048312438
Energy: 0.351660507196412
Energy: 0.596307004029272
Energy: 0.34495338876971005
Energy: 0.34854417372387525
Energy: 0.35334389906018926
Energy: 0.3451703964818858
Energy: 0.3742222745193016
Energy: 0.593841094902792
Energy: 0.3543090525002693
Energy: 0.35627580559716954
Energy: 0.35475767265168057
Energy: 0.3549600701554544
Energy: 0.35237449032497575
Energy: 0.44586637415608166
Energy: 0.3757927061716365
Energy: 0.3628176273097644
Energy: 0.37418659883345173
Energy: 0.3757575989142616
Energy: 0.38584476385345867
Energy: 0.502545311714763
Energy: 0.3789618746692136
Energy: 0.37557615993222065
Energy: 0.36552771734758777
Energy: 0.37490336830782156
Energy: 0.3552872003813444
Energy: 0.5969144475319764
Energy: 0.37320839000034556
Energy: 0.37339118909897373
Energy: 0.3702694518166911
Energy: 0.4464383745849689
Energy: 0.38948880391479074
Energy: 0.628960957323804
Energy: 0.36400033141008137
Energy: 0.37383064786403003
Energy: 0.39913859544906616
Energy: 0.4047196648057005
Energy: 0.37370981475463744
Energy: 0.5951377104266621
Energy: 0.3790227355004132
Energy: 0.3785381295122444
Energy: 0.3790626886878254
Energy: 0.3790348509375144
Energy: 0.35277996856276544

minimum gb energy = 0.3291775022518312 eV
minimum distance =  2.69526530830673 Angstroms
sigma value = 81


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

Energy: 0.009758709639675787
Energy: 0.010204380795240211
Energy: 0.010344562281824595
Energy: 0.011477286605881756
Energy: 0.011335136425368491
Energy: 0.010399568388710066
Energy: 0.03543860586703801
Energy: 0.010372135162805675
Energy: 0.010466331735547906
Energy: 0.0361002524158056
Energy: 0.011986649554853
Energy: 0.010418284984806953
Energy: 0.0344001117828089
Energy: 0.010273948535424729
Energy: 0.010418230037489729
Energy: 0.03448547087206301
Energy: 0.010190260798324793
Energy: 0.03489078459999348
Energy: 0.011836123762695003
Energy: 0.010414994012422624
Energy: 0.010355284509150093
Energy: 0.013430418527970889
Energy: 0.010247949585052343
Energy: 0.03528923071131629
Energy: 0.03494829745762405
Energy: 0.03439869059819968
Energy: 0.034653701180086004
Energy: 0.03559321357248359
Energy: 0.034529951634714805
Energy: 0.03514874201568738
Energy: 0.010591011230164109
Energy: 0.01048317431545079
Energy: 0.010249622877378956
Energy: 0.011536525512652985
Energy: 0.010372428957374061
Energy: 0.010327018822109226
Energy: 0.03483593248246914
Energy: 0.010493235268741399
Energy: 0.01054813305353248
Energy: 0.03535285941141659
Energy: 0.011232254450767847
Energy: 0.010453962422569164
Energy: 0.034616343175550714
Energy: 0.010398449285300863
Energy: 0.010513626088223312
Energy: 0.034465671010393606
Energy: 0.010180991615890471
Energy: 0.03600471859424057
Energy: 0.011351014799522913
Energy: 0.01063055442992793
Energy: 0.03660291150838232
Energy: 0.011337977929299541
Energy: 0.010267653089894201
Energy: 0.036237352921267174
Energy: 0.010576694359919887
Energy: 0.03461389653200424
Energy: 0.03467938242543191
Energy: 0.010565663864456985
Energy: 0.03448422995373673
Energy: 0.03453804774854295

minimum gb energy = 0.009758709639675787 eV
minimum distance =  2.82484392519697 Angstroms
sigma value = 3


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

Energy: 0.4283536480806634
Energy: 0.42402122215588994
Energy: 0.42564387589652053
Energy: 0.39040687454420686
Energy: 0.42174880667392867
Energy: 0.39513962911831896
Energy: 0.4550551018163579
Energy: 0.4286695125959421
Energy: 0.42736753000557703
Energy: 0.42944457971965566
Energy: 0.43505902261207574
Energy: 0.42674174257690767
Energy: 0.45517987882148847
Energy: 0.40132327655058103
Energy: 0.40162869033281323
Energy: 0.4335393618673531
Energy: 0.40224679484909753
Energy: 0.4179579069087696
Energy: 0.5004921244544795
Energy: 0.4019177814205463
Energy: 0.4014422508735566
Energy: 0.48421775012675333
Energy: 0.40386154362611365
Energy: 0.41838173693216724
Energy: 0.41676955612544364
Energy: 0.43314431597809205
Energy: 0.42765451868809834
Energy: 0.4104651686174908
Energy: 0.4334689360358956
Energy: 0.42699642829979934
Energy: 0.40681421622246133
Energy: 0.42961227126893925
Energy: 0.41378497116527124
Energy: 0.38273524244740326
Energy: 0.43016425796340424
Energy: 0.39473600095538897
Energy: 0.4452781772580703
Energy: 0.434366921855844
Energy: 0.43231951458583423
Energy: 0.4273533278135086
Energy: 0.4353400991477114
Energy: 0.42850860369420873
Energy: 0.44377314220025854
Energy: 0.40583848101313164
Energy: 0.4061525625916435
Energy: 0.42976358812036347
Energy: 0.3875008806871975
Energy: 0.4067743608495418
Energy: 0.43632333236536947
Energy: 0.4073937019076438
Energy: 0.42097257907540486
Energy: 0.43249499252665025
Energy: 0.4200362059668076
Energy: 0.4291969313299335
Energy: 0.43029667615065237
Energy: 0.421233778004729
Energy: 0.424054843970764
Energy: 0.4300660364416753
Energy: 0.4168356902792691
Energy: 0.4175316608994538
Energy: 0.41494585949273355
Energy: 0.4143501178317432
Energy: 0.41456772830055044
Energy: 0.38105635392941756
Energy: 0.4238395845659149
Energy: 0.3972102602096069
Energy: 0.4012602480348809
Energy: 0.42171581009034836
Energy: 0.422802600113026
Energy: 0.40120871826622606
Energy: 0.4211355505344304
Energy: 0.40173100571857295
Energy: 0.39925868632812317
Energy: 0.3907011705770366
Energy: 0.4044981813213197
Energy: 0.3993366053454553
Energy: 0.37234845923926424
Energy: 0.4051293736568627
Energy: 0.4175727170968653
Energy: 0.4062122578611663
Energy: 0.4053964150618151
Energy: 0.4116698724646464
Energy: 0.42750623167890184
Energy: 0.40856654654310753
Energy: 0.41755890118370237
Energy: 0.3835286909078943
Energy: 0.3827746253522349
Energy: 0.4169044927717758
Energy: 0.38967863271436703
Energy: 0.38320763291969
Energy: 0.4159667886092501
Energy: 0.4013452507146106
Energy: 0.4007827378056323
Energy: 0.3973910362408593
Energy: 0.4154252939078363
Energy: 0.401226930399963
Energy: 0.3764618963492971
Energy: 0.4014384643818329
Energy: 0.4005395266668233
Energy: 0.37648281346592616
Energy: 0.39701913144212425
Energy: 0.3763522334178508
Energy: 0.37658769070935366
Energy: 0.39508657863767965
Energy: 0.39524436425885284
Energy: 0.3765724500319299
Energy: 0.38106217920998475
Energy: 0.39553904875587403
Energy: 0.41163833132893357
Energy: 0.4131334506637382
Energy: 0.3947646123580329
Energy: 0.37996382859500766
Energy: 0.4155502876001806
Energy: 0.3950471689914979
Energy: 0.4165914731087033
Energy: 0.37619056709204673
Energy: 0.37583627317728774
Energy: 0.417580511662208
Energy: 0.38191879668810524
Energy: 0.3759258801072073
Energy: 0.41619185391495245
Energy: 0.3963486502916976
Energy: 0.40109795507330204
Energy: 0.41520990942841035
Energy: 0.3982042371039147
Energy: 0.3997379780989061
Energy: 0.3847539973074352
Energy: 0.3962791817435219
Energy: 0.4011391668144975
Energy: 0.38445897274542035
Energy: 0.39782674304896826
Energy: 0.38406098056801635
Energy: 0.3841124389065084
Energy: 0.40715244205069534
Energy: 0.4072076894820525
Energy: 0.38427646631071394
Energy: 0.40640943880064195
Energy: 0.40671746240043416
Energy: 0.4160432449972454
Energy: 0.40263890406919667
Energy: 0.40472531016502666
Energy: 0.37791571520579065
Energy: 0.40460535550267074
Energy: 0.39752839768870635
Energy: 0.4295059433812336
Energy: 0.3995081867330734
Energy: 0.39929839115415794
Energy: 0.4299195214748373
Energy: 0.40378432262727687
Energy: 0.4025411284180997
Energy: 0.4277723641257045
Energy: 0.40520902696338845
Energy: 0.40564702854458634
Energy: 0.4283975184364778
Energy: 0.3889510433985392
Energy: 0.4154561525317347
Energy: 0.42467640952694974
Energy: 0.40553392356773976
Energy: 0.4061620084627569
Energy: 0.4161775695145581
Energy: 0.4261260519122386
Energy: 0.4177931146377627
Energy: 0.40466117322673123
Energy: 0.42941977606001513
Energy: 0.42951698385524345
Energy: 0.4049496777385321
Energy: 0.4290652819946
Energy: 0.4291789269028877
Energy: 0.4130165205660429
Energy: 0.4281881567723323
Energy: 0.41819349540626166
Energy: 0.38451589572253686
Energy: 0.42895206931833235
Energy: 0.397163526160576
Energy: 0.4294419631706509
Energy: 0.4296168214309399
Energy: 0.4279214815582899
Energy: 0.4279755833869092
Energy: 0.4277396322591551
Energy: 0.42886778389010694
Energy: 0.43082554119288674
Energy: 0.4052998354383539
Energy: 0.4052895451957428
Energy: 0.43067838458247254
Energy: 0.3856931911766523
Energy: 0.4053332784022997
Energy: 0.4557837239651374
Energy: 0.40703281075215947
Energy: 0.4264642487644787
Energy: 0.429581771457805
Energy: 0.41436592080536894
Energy: 0.427838350146165
Energy: 0.4087307846455574
Energy: 0.4306519660755082
Energy: 0.4291836738453429
Energy: 0.4032319743894271
Energy: 0.4308137122976008
Energy: 0.4228041094054476

minimum gb energy = 0.37234845923926424 eV
minimum distance =  2.60107430666767 Angstroms
sigma value = 67


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

Energy: 0.5355156079631416
Energy: 0.5226016443360572
Energy: 0.5289592501871774
Energy: 0.510769842626693
Energy: 0.5222264366013999
Energy: 0.5288055911537547
Energy: 0.567099407173402
Energy: 0.5293333083033064
Energy: 0.529489265018547
Energy: 0.5257083591165392
Energy: 0.527788242660479
Energy: 0.5178891573269924
Energy: 0.577253902913209
Energy: 0.5048871559529255
Energy: 0.5098150411185263
Energy: 0.52348965597459
Energy: 0.5052175172288754
Energy: 0.5098969983068542
Energy: 0.5388281754281884
Energy: 0.5106685924963162
Energy: 0.5102226075495481
Energy: 0.5257798375062954
Energy: 0.50896464938914
Energy: 0.5105283868634284
Energy: 0.5389475027517996
Energy: 0.5266516412384062
Energy: 0.5280574031697778
Energy: 0.5228318672722004
Energy: 0.526345158886891
Energy: 0.5181994137520295
Energy: 0.5072612425680825
Energy: 0.5169741374906356
Energy: 0.5111467504144457
Energy: 0.5139248441111098
Energy: 0.5163589452355776
Energy: 0.5112298949411884
Energy: 0.5540919036567244
Energy: 0.5274956107392557
Energy: 0.5288827900879821
Energy: 0.5216319774933087
Energy: 0.5275822736599571
Energy: 0.5211715423341442
Energy: 0.5434210015199621
Energy: 0.5095455554794844
Energy: 0.5149055536314361
Energy: 0.5227421835419754
Energy: 0.5090366837974297
Energy: 0.5198822939481262
Energy: 0.5301528158769749
Energy: 0.5207373196436653
Energy: 0.5275546265778184
Energy: 0.5261100554544512
Energy: 0.5263063917890077
Energy: 0.5268773531992091
Energy: 0.5285504723687751
Energy: 0.5186530806178997
Energy: 0.5218437169301118
Energy: 0.5286074842081888
Energy: 0.5175314438046857
Energy: 0.5162434736892791
Energy: 0.5212336126215039
Energy: 0.5181638119500083
Energy: 0.518127943712211
Energy: 0.5121679963518504
Energy: 0.5235510060557613
Energy: 0.5187976735125038
Energy: 0.5155004235393443
Energy: 0.5181423497995206
Energy: 0.5183693175788651
Energy: 0.5159646783763476
Energy: 0.5195828844991377
Energy: 0.5131007471983292
Energy: 0.509225253541673
Energy: 0.5137862148027508
Energy: 0.5147678683028365
Energy: 0.509469736517649
Energy: 0.512592126185147
Energy: 0.5105407388611426
Energy: 0.5208594366838593
Energy: 0.5150409552642556
Energy: 0.5142100197827417
Energy: 0.5121578925147581
Energy: 0.5243341702634858
Energy: 0.5140823369809928
Energy: 0.5239854881227898
Energy: 0.5151819765423903
Energy: 0.5178997164270707
Energy: 0.524353989214209
Energy: 0.5138240128328224
Energy: 0.5113045310700097
Energy: 0.5242744056005179
Energy: 0.5192802497083777
Energy: 0.5183703116255821
Energy: 0.5178934205816647
Energy: 0.5271926024159601
Energy: 0.5176890961280255
Energy: 0.5261601932072595
Energy: 0.5123743399430724
Energy: 0.51271394438126
Energy: 0.5159219998524057
Energy: 0.5074876202805467
Energy: 0.5182190276163618
Energy: 0.5245552810006079
Energy: 0.5268203985435718
Energy: 0.5271794351926589
Energy: 0.5180315427450836
Energy: 0.5268819771507907
Energy: 0.5228999569041393
Energy: 0.510689596555843
Energy: 0.5215811593180077
Energy: 0.514283053471006
Energy: 0.5163118103801131
Energy: 0.522848242060624
Energy: 0.5142979018225753
Energy: 0.5245278927578588
Energy: 0.5254629819428327
Energy: 0.5272515717535422
Energy: 0.5250614807408108
Energy: 0.5249180482444644
Energy: 0.5279704291080729
Energy: 0.524154578315944
Energy: 0.5187360416714709
Energy: 0.5176472943885553
Energy: 0.524424340720726
Energy: 0.5098778413729536
Energy: 0.526469914348735
Energy: 0.5776260449439347
Energy: 0.507528767795075
Energy: 0.5177441652706428
Energy: 0.5244008698011065
Energy: 0.508085599998285
Energy: 0.5265523128434827
Energy: 0.5535242528716545
Energy: 0.5292759078519765
Energy: 0.5305900097962319
Energy: 0.5159798755655108
Energy: 0.5276450595586424
Energy: 0.5234502102087236

minimum gb energy = 0.5048871559529255 eV
minimum distance =  2.61170198190516 Angstroms
sigma value = 33


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

Energy: 0.6949325879863072
Energy: 0.6296399893251184
Energy: 0.6235132625330743
Energy: 0.5972239871039721
Energy: 0.6295852162166288
Energy: 0.6622058864928965
Energy: 0.749641399431009
Energy: 0.6246215970885062
Energy: 0.6161617408312452
Energy: 0.6138164055702815
Energy: 0.6219270552402543
Energy: 0.6151986902145729
Energy: 0.7819150376054284
Energy: 0.6685651390862017
Energy: 0.6563574633401454
Energy: 0.6189203558859805
Energy: 0.6699549592916803
Energy: 0.6539557312142983
Energy: 0.7221701287707465
Energy: 0.6593086492413542
Energy: 0.6535127717374536
Energy: 0.6962656027201634
Energy: 0.6529279463492283
Energy: 0.6555336663529778
Energy: 0.6919242301225554
Energy: 0.6237678053451777
Energy: 0.6169099703408745
Energy: 0.6904089866205984
Energy: 0.6234312803397856
Energy: 0.6156364106641015
Energy: 0.6531771636772339
Energy: 0.6168692910809779
Energy: 0.6155747746426901
Energy: 0.6492740766899864
Energy: 0.7037512126738922
Energy: 0.6584956070341152
Energy: 0.7237734718852238
Energy: 0.6970900692192173
Energy: 0.6950052769863406
Energy: 0.697848954644766
Energy: 0.6976839643805359
Energy: 0.6253270238174283
Energy: 0.7238717327066825
Energy: 0.6867626748568051
Energy: 0.698998411018587
Energy: 0.6957107709085244
Energy: 0.6899796324243122
Energy: 0.6901110036646003
Energy: 0.7085612014285254
Energy: 0.6904457811608048
Energy: 0.6929889061438723
Energy: 0.7080926271025382
Energy: 0.6936631886793932
Energy: 0.7064952288966327
Energy: 0.7082671070412555
Energy: 0.6898058377382633
Energy: 0.6917805639580186
Energy: 0.7082688586725263
Energy: 0.6896883006535082
Energy: 0.6901124603856797
Energy: 0.7065354633886674
Energy: 0.7083568610336503
Energy: 0.6889859739160803
Energy: 0.707130994273853
Energy: 0.7026039548452618
Energy: 0.70386615839766
Energy: 0.6986453790329666
Energy: 0.6933224634547612
Energy: 0.6890492840479414
Energy: 0.6980741069455315
Energy: 0.6477090030821857
Energy: 0.7021310386115883
Energy: 0.7061704660123023
Energy: 0.7005023003033738
Energy: 0.7015083202518375
Energy: 0.702076826212976
Energy: 0.7002692923909297
Energy: 0.7010237485337978
Energy: 0.661239601781098
Energy: 0.6999940494554057
Energy: 0.7015780496086955
Energy: 0.6542681481662197
Energy: 0.6999441147814812
Energy: 0.6539793347907387
Energy: 0.6709344611702727
Energy: 0.7228508604613413
Energy: 0.7134288262535823
Energy: 0.6699424458482445
Energy: 0.6959872319237245
Energy: 0.7125572507801583
Energy: 0.7090341045620755
Energy: 0.6648249098021763
Energy: 0.6649822316901738
Energy: 0.7107884749780816
Energy: 0.661855053859184
Energy: 0.7014795347154188
Energy: 0.7676185138324825
Energy: 0.6544402314671088
Energy: 0.6632980518926946
Energy: 0.7380960646504868
Energy: 0.6553775384309334
Energy: 0.665757240529315
Energy: 0.7710423828210873
Energy: 0.7242863872828307
Energy: 0.6974129534565509
Energy: 0.6955831359763336
Energy: 0.7231134969282308
Energy: 0.718135850571718
Energy: 0.5841512857880784
Energy: 0.703934726485522
Energy: 0.6026827064278707
Energy: 0.5944198902406846
Energy: 0.7182411901893841
Energy: 0.5975609307250404
Energy: 0.6286763038546238
Energy: 0.7155377309229203
Energy: 0.7139491370515264
Energy: 0.6050813436042854
Energy: 0.7177031233569026
Energy: 0.7133939924890285
Energy: 0.7679528788065726
Energy: 0.6530694181964339
Energy: 0.6621328615630384
Energy: 0.7385800276113612
Energy: 0.6526400717255427
Energy: 0.6557467259061586
Energy: 0.7334258259868616
Energy: 0.6569435712325922
Energy: 0.6540976175204677
Energy: 0.7112888480389311
Energy: 0.6568888951585774
Energy: 0.6546267634725825
Energy: 0.6944127137849023
Energy: 0.7289163690843766
Energy: 0.7150582673962721
Energy: 0.6970177756200584
Energy: 0.6994233702716693
Energy: 0.7117812750202077
Energy: 0.6523251446372431
Energy: 0.6996281437507518
Energy: 0.7021705737770368
Energy: 0.6502168094489055
Energy: 0.6982956048238396
Energy: 0.6516243101741555
Energy: 0.7242336165560478
Energy: 0.7026840962399691
Energy: 0.7017396861688109
Energy: 0.6985298048006986
Energy: 0.7042526315401455
Energy: 0.7015618570469433
Energy: 0.7332148261410439
Energy: 0.6982253747814668
Energy: 0.7045481791471465
Energy: 0.7048421402328499
Energy: 0.6891029917927578
Energy: 0.7048196091202481
Energy: 0.7065419975264967
Energy: 0.6971995940341916
Energy: 0.6970945139649829
Energy: 0.7059737291922
Energy: 0.7141593298325786
Energy: 0.709301531736666
Energy: 0.707612308227712
Energy: 0.6901350461967638
Energy: 0.6896494623958924
Energy: 0.7072604593950136
Energy: 0.6900395957063574
Energy: 0.6924989939519487
Energy: 0.7044003952535667
Energy: 0.69811123254035
Energy: 0.7100935259030211
Energy: 0.6980886582294566
Energy: 0.697829403363386
Energy: 0.6866108876462751
Energy: 0.706784060294322
Energy: 0.6878873223493994
Energy: 0.6917320138952666
Energy: 0.7075886469557486
Energy: 0.646710109861822
Energy: 0.6873392821649296
Energy: 0.698408247112915
Energy: 0.6945090783413891
Energy: 0.6919845935857905
Energy: 0.6974011015218043
Energy: 0.6973209019807316
Energy: 0.6192604971426299
Energy: 0.6622410613867598
Energy: 0.7055620063077289
Energy: 0.618466819343986
Energy: 0.6590763808520944
Energy: 0.7092430732322048
Energy: 0.6555585388650619
Energy: 0.6708149659670162
Energy: 0.619329042239695
Energy: 0.6209633782465179
Energy: 0.6700457732158293
Energy: 0.6203872515229768
Energy: 0.6196569196436728
Energy: 0.7047258798437621
Energy: 0.6652575236075331
Energy: 0.6233950336627723
Energy: 0.7050348660398493
Energy: 0.6641809032798158
Energy: 0.6262050981873452
Energy: 0.7818154789728089
Energy: 0.6537081920224413
Energy: 0.6676215235347823
Energy: 0.6173861487346788
Energy: 0.653610110830049
Energy: 0.6656068911038687
Energy: 0.7795905202200563
Energy: 0.6253182203090125
Energy: 0.630308033848324
Energy: 0.6172662513257089
Energy: 0.6214692759053106
Energy: 0.6469121094876737
Energy: 0.6479009869206291
Energy: 0.6122634153523473
Energy: 0.6034793905637684
Energy: 0.5985268553369749
Energy: 0.6122709909277183
Energy: 0.6540437628938767

minimum gb energy = 0.5841512857880784 eV
minimum distance =  2.45175483716324 Angstroms
sigma value = 41


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

Energy: 0.772084922456665
Energy: 0.7678585443087877
Energy: 0.7566923731162317
Energy: 0.7577030411300559
Energy: 0.7661828464974763
Energy: 0.7570195062039611
Energy: 0.8425088549932677
Energy: 0.7658461368944252
Energy: 0.7670033550659118
Energy: 0.7712522874821844
Energy: 0.7643459170143914
Energy: 0.7573165261950507
Energy: 0.8400187154738835
Energy: 0.746851608869854
Energy: 0.7456023014465151
Energy: 0.766482747572095
Energy: 0.7482363223106554
Energy: 0.7473199267565134
Energy: 0.7673424190859082
Energy: 0.7468745328986253
Energy: 0.7461426337416053
Energy: 0.765578548789804
Energy: 0.7467790984130425
Energy: 0.7697456034666449
Energy: 0.7686537553980344
Energy: 0.7634519037880018
Energy: 0.7673800969669923
Energy: 0.7701892302359843
Energy: 0.7634263403127713
Energy: 0.7571137476740538
Energy: 0.7486300411683472
Energy: 0.7632455799855082
Energy: 0.7560790551456384
Energy: 0.7460561389323546
Energy: 0.7648449519839505
Energy: 0.7563786014192031
Energy: 0.8147291592786335
Energy: 0.770390232257728
Energy: 0.7660715244363453
Energy: 0.7574089256307364
Energy: 0.7702604864778602
Energy: 0.7552431786880809
Energy: 0.8162477957768891
Energy: 0.7572789195860465
Energy: 0.7559953482294628
Energy: 0.7584441159191343
Energy: 0.7559013812952017
Energy: 0.75613303102001
Energy: 0.7499510517459115
Energy: 0.7565470980046267
Energy: 0.75451324370729
Energy: 0.7514070504513215
Energy: 0.7586568731595441
Energy: 0.7542408672158405
Energy: 0.7608631358352667
Energy: 0.757225279504493
Energy: 0.7552622950955913
Energy: 0.7592066192613792
Energy: 0.7605482327045635
Energy: 0.7548803379732479
Energy: 0.7603763797736092
Energy: 0.7674581105286824
Energy: 0.7754177844544066
Energy: 0.7620135912423235
Energy: 0.7621956026757145
Energy: 0.7566025111748129
Energy: 0.8718636142997727
Energy: 0.7526885323012062
Energy: 0.7519972275806461
Energy: 0.7642353891916582
Energy: 0.7516564581791441
Energy: 0.7511378313780043
Energy: 0.8740266354039787
Energy: 0.7723665214298673
Energy: 0.7703980905482061
Energy: 0.7660506539537623
Energy: 0.7706667946383484
Energy: 0.7562618628625484
Energy: 0.7412182104178375
Energy: 0.7642527210669349
Energy: 0.7514142076073539
Energy: 0.7416084807102116
Energy: 0.7628424288147029
Energy: 0.7502759489143926

minimum gb energy = 0.7412182104178375 eV
minimum distance =  2.64293057021262 Angstroms
sigma value = 11


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

Energy: 0.9169723340872912
Energy: 0.9301869328975115
Energy: 0.9279370674503282
Energy: 0.8486187329836967
Energy: 0.9297088495799182
Energy: 0.9368931976563416
Energy: 1.037118023842787
Energy: 0.8746502849350142
Energy: 0.8682892687040089
Energy: 0.8758517370612373
Energy: 0.8784230732219493
Energy: 0.8739771697144605
Energy: 1.0456449983617118
Energy: 0.8655334401692938
Energy: 0.865026604361463
Energy: 0.8785615445038215
Energy: 0.8662394511947731
Energy: 0.8773586867567855
Energy: 0.8946472381087548
Energy: 0.8656555955577062
Energy: 0.8769455865024651
Energy: 0.8784387719685602
Energy: 0.8660612834664558
Energy: 0.8764569040145647
Energy: 0.8922727468562895
Energy: 0.8737723547954247
Energy: 0.8718273687586362
Energy: 0.8767590764886275
Energy: 0.8712398237130079
Energy: 0.8713958060008742
Energy: 0.8939772945830488
Energy: 0.8625889024870382
Energy: 0.8625665658700161
Energy: 0.8724845221223564
Energy: 0.8634668449214221
Energy: 0.8711293670030393
Energy: 0.9021912014278348
Energy: 0.8629585077818168
Energy: 0.8624712869615929
Energy: 0.867873819395732
Energy: 0.8600432497181114
Energy: 0.862186247813439
Energy: 0.9307287069902622
Energy: 0.8711534647144307
Energy: 0.872227520676151
Energy: 0.8717199055721655
Energy: 0.8751677876002204
Energy: 0.8718720367833158
Energy: 0.8917994308015277
Energy: 0.8775980057794496
Energy: 0.8773497663150656
Energy: 0.8625374722653291
Energy: 0.8784087140771178
Energy: 0.8687998125858096
Energy: 0.8910486525359969
Energy: 0.8775038634162375
Energy: 0.8769880049146093
Energy: 0.8625209379847456
Energy: 0.878098239700349
Energy: 0.8687679558848392
Energy: 0.9346346534590316
Energy: 0.8765425538340408
Energy: 0.8732230818373348
Energy: 0.8730008615211559
Energy: 0.8785782466577482
Energy: 0.8710821944301401
Energy: 0.9020734632303805
Energy: 0.8715224746355236
Energy: 0.8714235920900549
Energy: 0.886971904744963
Energy: 0.8582861976627609
Energy: 0.8622298627258984
Energy: 0.9089588956925736
Energy: 0.8756393297953451
Energy: 0.8758645805636658
Energy: 0.8785872736960674
Energy: 0.8758922270669318
Energy: 0.8748712726642958
Energy: 0.8934263304580103
Energy: 0.8768126789750602
Energy: 0.8697571567429463
Energy: 0.8665764840251303
Energy: 0.8783149795218437
Energy: 0.8695359655128647
Energy: 0.9000446545137188
Energy: 0.8705082437403728
Energy: 0.8691689827672849
Energy: 0.8602422377012611
Energy: 0.8698754063939657
Energy: 0.8695343416400835
Energy: 0.9600853545429715
Energy: 0.8703147826428099
Energy: 0.8699903065206509
Energy: 0.8693549496165645
Energy: 0.8689372626593391
Energy: 0.8703613342309353
Energy: 0.8997488878179858
Energy: 0.8703587903166184
Energy: 0.8702942112007448
Energy: 0.8891819115973606
Energy: 0.8702947180298699
Energy: 0.8705771834869264
Energy: 0.8906018236050219
Energy: 0.9031084261358382
Energy: 0.8858233596814161
Energy: 0.87013067747211
Energy: 0.90273257009663
Energy: 0.8574909000093425
Energy: 0.9028388108265822
Energy: 0.8709214877610888
Energy: 0.8703637577178751
Energy: 0.8904680782969987
Energy: 0.8696595590721665
Energy: 0.870000545991967
Energy: 0.8960819716637222
Energy: 0.8654602848654334
Energy: 0.8647493684832657
Energy: 0.8882009036982138
Energy: 0.8662074765206392
Energy: 0.8811608792238323
Energy: 0.9858574038852084
Energy: 0.8654672499493475
Energy: 0.8760246778505353
Energy: 0.8779922998852036
Energy: 0.8653079921937176
Energy: 0.8778058212327131
Energy: 0.9251966395944268
Energy: 0.8788178281024608
Energy: 0.8774513337176687
Energy: 0.8834479391384095
Energy: 0.8792680025797177
Energy: 0.8801734219062198
Energy: 0.8990536428008751
Energy: 0.8903749597311839
Energy: 0.8744434036132993
Energy: 0.8624593270044776
Energy: 0.8904981547397344
Energy: 0.8687022420469358
Energy: 1.0007178145051876
Energy: 0.8702363521176496
Energy: 0.8698736343702216
Energy: 0.869696296133869
Energy: 0.8903267435728903
Energy: 0.8699200371251257
Energy: 0.9352043755441867
Energy: 0.8703610710137085
Energy: 0.8691013216296914
Energy: 0.9024797070892413
Energy: 0.8684798401094532
Energy: 0.8666110949905709
Energy: 0.8928873422525981
Energy: 0.869846613233087
Energy: 0.8710794961951017
Energy: 0.8699654269723398
Energy: 0.8698325746162572
Energy: 0.8699175563763086
Energy: 0.8938742167344857
Energy: 0.8734089262761685
Energy: 0.8710045258081538
Energy: 0.8694331690402355
Energy: 0.8691113310238378
Energy: 0.8698142252153729
Energy: 0.891980085856173
Energy: 0.8727563634606624
Energy: 0.870426149971996
Energy: 0.8698487496619047
Energy: 0.8702348084163214
Energy: 0.8691408875760048
Energy: 0.89883448905111
Energy: 0.8657612877318641
Energy: 0.8651188202504246
Energy: 0.8932489000004856
Energy: 0.8659520468836056
Energy: 0.8646496552696895
Energy: 1.0457701758916702
Energy: 0.8763982513856033
Energy: 0.8697125766702876
Energy: 0.8760102283792028
Energy: 0.871444564021007
Energy: 0.8694124440764033
Energy: 0.9000081537016089
Energy: 0.894225214802725
Energy: 0.8712421967126192
Energy: 0.8606321112425646
Energy: 0.8818578918649328
Energy: 0.8672954189649723

minimum gb energy = 0.8486187329836967 eV
minimum distance =  2.60800285708453 Angstroms
sigma value = 57


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

Energy: 1.3401022058435823
Energy: 0.9334985102860253
Energy: 0.9624652899814076
Energy: 0.965007761371959
Energy: 0.9642572588121233
Energy: 0.962842212892194
Energy: 1.054287437931613
Energy: 0.9323409797303217
Energy: 0.9326225231618743
Energy: 0.9329544567806252
Energy: 0.9324340756584347
Energy: 0.9321789953746854
Energy: 1.063475949042874
Energy: 0.9205152968046941
Energy: 0.9221548458834159
Energy: 0.9311937637923053
Energy: 0.921031442391749
Energy: 0.9330869259128717
Energy: 0.9724482278455769
Energy: 0.931609194670712
Energy: 0.93067844675035
Energy: 0.9334343127508873
Energy: 0.9226635013257002
Energy: 0.9307519515743558
Energy: 0.9547092650635146
Energy: 0.9332000870929915
Energy: 0.931199858458349
Energy: 0.9321759522753033
Energy: 0.9317445942711203
Energy: 0.9304488432506295
Energy: 0.9672308418045421
Energy: 0.9314498274542938
Energy: 0.930827557368377
Energy: 0.9319380411075641
Energy: 0.9327670064723594
Energy: 0.9304426577902662
Energy: 0.9559947608080311
Energy: 0.9224239514465044
Energy: 0.9221962704737627
Energy: 0.9335298097799961
Energy: 0.9228196303435776
Energy: 0.9304890205058094
Energy: 1.0677167551409097
Energy: 0.933321852840315
Energy: 0.932391316354727
Energy: 0.9339315056688146
Energy: 0.9317840184727982
Energy: 0.9319763841568148
Energy: 0.9600619526817857
Energy: 0.9329654922301
Energy: 0.9233370469058957
Energy: 0.9250189048177395
Energy: 0.9325207719792543
Energy: 0.9234624291374812
Energy: 0.9603816213291035
Energy: 0.9327181237654805
Energy: 0.923226569474755
Energy: 0.925240603305806
Energy: 0.934248710892797
Energy: 0.9233578963101884
Energy: 1.0596889674916368
Energy: 0.9324805844877927
Energy: 0.9316246424426503
Energy: 0.9334542075584153
Energy: 0.9324936852887797
Energy: 0.9304650033960722
Energy: 0.9682819355692153
Energy: 0.9203299821163349
Energy: 0.9199495820784791
Energy: 0.9308804641066526
Energy: 0.92116532634907
Energy: 0.9342679817997247
Energy: 0.9553721878502719
Energy: 0.9338682713520761
Energy: 0.9316957121864595
Energy: 0.93354209834171
Energy: 0.9321255304417984
Energy: 0.9310419254650725
Energy: 0.9706744797641285
Energy: 0.9316933896947416
Energy: 0.9310384161614192
Energy: 0.9320036424779344
Energy: 0.9324070955435778
Energy: 0.9307057597079751
Energy: 0.9539573295469046
Energy: 0.9227896001937798
Energy: 0.9300409564508552
Energy: 0.932348595959588
Energy: 0.9254128150047287
Energy: 0.9299422877490138
Energy: 1.082218805314146
Energy: 0.9228995331947033
Energy: 0.9225836767811701
Energy: 0.9324007698312649
Energy: 0.9251482562422662
Energy: 0.9320586673498726
Energy: 0.9604567322375329
Energy: 0.9318368467487229
Energy: 0.9325607528060462
Energy: 0.9263282242529378
Energy: 0.9326881336357221
Energy: 0.9324805591876573

minimum gb energy = 0.9199495820784791 eV
minimum distance =  2.60553539155046 Angstroms
sigma value = 9


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

Energy: 1.0457068857164737
Energy: 0.9932625035720333
Energy: 0.9906969293884053
Energy: 1.0617738523862679
Energy: 1.0419993392930962
Energy: 0.9909036586080462
Energy: 1.0367797439613315
Energy: 0.9507069100896546
Energy: 0.9505279117198777
Energy: 0.9477000656076738
Energy: 0.9520298897045391
Energy: 0.9558418052202696
Energy: 1.0353632786986289
Energy: 0.9822725275615328
Energy: 0.9572540146897072
Energy: 0.9670881935005061
Energy: 0.9751443848327325
Energy: 0.9565476307811874
Energy: 0.9529061788034412
Energy: 0.9562436392791867
Energy: 0.9544656557826644
Energy: 0.9488271858730831
Energy: 0.9651016788617487
Energy: 0.9545370494896381
Energy: 0.9523001920883513
Energy: 0.935827152752688
Energy: 0.9360747753333232
Energy: 0.9480333392216909
Energy: 0.9365431903879644
Energy: 0.9404198109500826
Energy: 0.9514127201559658
Energy: 0.9338001819572622
Energy: 0.9333425379338567
Energy: 0.9388511255148164
Energy: 0.9361942622802362
Energy: 0.9331111693720222
Energy: 0.9677512132786174
Energy: 0.9901204451301769
Energy: 0.9669825622837361
Energy: 0.930997966365901
Energy: 0.9916439130533514
Energy: 0.9662616309856095
Energy: 1.0502916138303815
Energy: 0.9358398284720263
Energy: 0.9341043474241305
Energy: 0.9367092729539279
Energy: 0.934421122607769
Energy: 0.934250866109421
Energy: 1.024193994267211
Energy: 0.9343980291776885
Energy: 0.9336313575150962
Energy: 0.9670067028300774
Energy: 0.9347318855333844
Energy: 0.9549200753902616
Energy: 1.0225386113411665
Energy: 0.934209541448827
Energy: 0.9336070402367301
Energy: 0.9677223156342806
Energy: 0.9354263516290698
Energy: 0.933536750934793
Energy: 1.057173825704975
Energy: 0.9457402338050354
Energy: 0.9427410050343632
Energy: 0.9356325790995357
Energy: 0.9349031007262957
Energy: 0.942064415431394
Energy: 1.018324427437002
Energy: 0.9559884038189549
Energy: 0.955372035937316
Energy: 0.9527225242382099
Energy: 0.9479018161404436
Energy: 0.9555739287828522
Energy: 1.0129623616501295
Energy: 0.9566010667047045
Energy: 0.9566281473263608
Energy: 0.9944930162045295
Energy: 0.947567806945847
Energy: 0.9783988303107338
Energy: 1.0354745773361775
Energy: 0.9584278066250196
Energy: 0.9573541991140595
Energy: 0.9956503087768974
Energy: 0.9591000358129224
Energy: 0.9494858978714319
Energy: 1.0164282963915319
Energy: 0.9327496853672109
Energy: 0.932318347814598
Energy: 0.9555036178904487
Energy: 0.9339985291851088
Energy: 0.9491218194829982
Energy: 1.0010611548803214
Energy: 0.9640413066423138
Energy: 0.9315274991227341
Energy: 0.946333788479558
Energy: 0.9653358073770908
Energy: 0.9316754398043401
Energy: 0.9899436096073264
Energy: 0.9548946743256853
Energy: 0.9542355556939606
Energy: 0.9669957242276823
Energy: 0.9479777367802965
Energy: 0.9549462517984967
Energy: 0.9875936818022106
Energy: 0.9491754939885281
Energy: 0.9800896991627587
Energy: 0.9772036919618852
Energy: 0.9497516940783473
Energy: 0.9793904834394794
Energy: 1.0112092347579393
Energy: 0.9841477981287985
Energy: 0.9825127433904898
Energy: 0.9775628912557879
Energy: 0.9591098626166934
Energy: 0.9784685510195245
Energy: 1.0067283659430406
Energy: 0.9836671626847593
Energy: 0.9791063069645204
Energy: 0.980847021309198
Energy: 0.9780594182755883
Energy: 0.9838156062187582
Energy: 1.0196587838187339
Energy: 0.9495814707879614
Energy: 0.950644989015899
Energy: 0.932877269805715
Energy: 0.9513476070753876
Energy: 0.9517253607442946

minimum gb energy = 0.930997966365901 eV
minimum distance =  2.57432754154815 Angstroms
sigma value = 27


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

Energy: 1.5351746913801756
Energy: 0.9532917632639
Energy: 0.9329290372560066
Energy: 0.9340792614485016
Energy: 0.934427559920571
Energy: 0.9681728773659781
Energy: 1.0967675786077926
Energy: 0.9382566153987393
Energy: 0.9443357514167559
Energy: 0.9208935729706955
Energy: 0.9668328354953116
Energy: 0.9355054319037233
Energy: 1.098489358382792
Energy: 0.9401273122103057
Energy: 0.9590035319914938
Energy: 0.9370471915039131
Energy: 0.968534337217105
Energy: 0.977693850024032
Energy: 1.1062009515997595
Energy: 0.9615891810007942
Energy: 0.9404728405649964
Energy: 1.0048429921876838
Energy: 0.9656002858785467
Energy: 0.9350450877029153
Energy: 0.9783901155857536
Energy: 0.946494124462018
Energy: 1.025210951535354
Energy: 0.9706991394834918
Energy: 0.9544053418988153
Energy: 1.0054316494779532
Energy: 1.067795299104144
Energy: 0.9263569701170604
Energy: 1.002539956777453
Energy: 1.0017121895632517
Energy: 1.006905809851381
Energy: 0.9255954475330985
Energy: 1.0955708042762398
Energy: 0.9588609628320817
Energy: 0.9604847921263064
Energy: 0.9544986879180761
Energy: 0.9592460445170338
Energy: 0.9595096645250949
Energy: 1.0536743740174932
Energy: 0.9608158218536521
Energy: 1.0042483163989906
Energy: 1.0042607718446896
Energy: 0.9632795102615127
Energy: 1.004448241878919
Energy: 1.0588946041265177
Energy: 1.0035410831020248
Energy: 1.0014843754987237
Energy: 1.0005313598022694
Energy: 1.0036655762673459
Energy: 1.001079596571819
Energy: 1.054665889470523
Energy: 1.003636749433426
Energy: 1.0012246031821799
Energy: 1.0008273025244125
Energy: 1.0130183583515848
Energy: 1.0011091901157287
Energy: 1.054431222201951
Energy: 0.9983814355163099
Energy: 0.9956015310186266
Energy: 1.0049483151922565
Energy: 0.9650547080824395
Energy: 1.0042628693763993
Energy: 1.0863578647403782
Energy: 1.0005820228358455
Energy: 1.0009984324784311
Energy: 0.9883862370630855
Energy: 1.00162503761337
Energy: 0.9947849680504486
Energy: 1.1499614617988423
Energy: 0.9947343308278102
Energy: 0.9937400941440495
Energy: 0.9955934340746609
Energy: 0.9941491511733197
Energy: 0.9937408790441882
Energy: 1.1498308761293348
Energy: 0.9948810445319368
Energy: 0.9934454885593601
Energy: 0.9979161946377859
Energy: 0.9953540135986558
Energy: 0.9941769789101736
Energy: 1.0871784872405434
Energy: 0.9960763697717104
Energy: 0.9943554503048071
Energy: 0.9946989930476611
Energy: 0.9938017930622124
Energy: 0.9938595567127027
Energy: 1.0260512797903751
Energy: 1.0060367522107627
Energy: 1.0026100635452992
Energy: 1.004866331558009
Energy: 1.0080545443419384
Energy: 1.0036301196691102
Energy: 0.9780051352100798
Energy: 1.0197346006509598
Energy: 1.0174789785284972
Energy: 0.9749201853651391
Energy: 1.0150452455757726
Energy: 1.0176868228147968
Energy: 1.0213791381145563
Energy: 1.0026054408580536
Energy: 1.001903103898673
Energy: 1.0013170343393407
Energy: 1.0016687813421288
Energy: 1.0017090922751792
Energy: 1.0176871867988968
Energy: 0.9583523199843508
Energy: 0.9587273867554859
Energy: 1.0001180754914458
Energy: 0.9671550061746613
Energy: 0.9585980276820665
Energy: 1.0979813422441844
Energy: 0.9656447612870903
Energy: 0.9645589989050494
Energy: 0.9377678986744471
Energy: 0.9670135776313995
Energy: 0.9642384041634883
Energy: 1.0508455808411843
Energy: 1.0048547687555136
Energy: 1.0023076618812723
Energy: 1.0024506211744915
Energy: 1.003570746917247
Energy: 1.0022230627797717
Energy: 0.9778193402856099
Energy: 0.988576886363297
Energy: 0.9428577447320393
Energy: 0.9756781037391294
Energy: 0.9673638652218458
Energy: 0.9528600951144185
Energy: 1.1109031412085144
Energy: 0.9551393422833607
Energy: 0.9678894071028544
Energy: 0.9388644551818155
Energy: 0.9718420656268488
Energy: 0.9556787347258018
Energy: 1.097681016620094
Energy: 0.9684407197155653
Energy: 0.9698256838111842
Energy: 0.9501070217830586
Energy: 0.9443932670063832
Energy: 0.927946103895968
Energy: 1.0619255814251733
Energy: 0.9259986035187331
Energy: 0.9280739131259144
Energy: 0.9426041280692131
Energy: 0.9501777764151386
Energy: 0.9633858385361426

minimum gb energy = 0.9208935729706955 eV
minimum distance =  2.48321174721541 Angstroms
sigma value = 19


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

Energy: 0.9951287541461128
Energy: 0.9047833151873906
Energy: 0.960838672486498
Energy: 0.9129054509732398
Energy: 0.9052540279564087
Energy: 0.9606449270416777
Energy: 1.0195442980820602
Energy: 0.9229004634704974
Energy: 0.9222763175977509
Energy: 0.9254403089150041
Energy: 0.8926040825290712
Energy: 0.922596293870159
Energy: 0.9853829792971506
Energy: 0.9172123495637375
Energy: 0.9158186352512151
Energy: 0.9002378498450664
Energy: 0.9235338771581432
Energy: 0.9138990244985052
Energy: 0.9592263017296108
Energy: 0.9214290477554863
Energy: 0.9194868791483041
Energy: 0.9215632520157818
Energy: 0.9247106977622986
Energy: 0.9191672860690556
Energy: 0.9574213328228024
Energy: 0.899024794706865
Energy: 0.9081920051285572
Energy: 0.9258627537850408
Energy: 0.9020826601225502
Energy: 0.9094795734338035
Energy: 0.9604929383717506
Energy: 0.9220397168924486
Energy: 0.9207936052437729
Energy: 0.9004988364795067
Energy: 0.9242142068599244
Energy: 0.920649475682248
Energy: 0.9616872892702165
Energy: 0.9129033902465098
Energy: 0.9086357089555386
Energy: 0.8994962862133974
Energy: 0.9131418314240436
Energy: 0.9062111279653057
Energy: 0.9666474251815245
Energy: 0.9151900014333405
Energy: 0.9226083144402102
Energy: 0.914273145182679
Energy: 0.9130883113263507
Energy: 0.9227533069918032
Energy: 0.947947473889024
Energy: 0.9121725304052051
Energy: 0.9116186625219065
Energy: 0.8683596817922964
Energy: 0.9231135197879996
Energy: 0.9111370667704295
Energy: 0.9458490849094774
Energy: 0.9155119700765347
Energy: 0.913657414870849
Energy: 0.915452721523603
Energy: 0.9144713640101024
Energy: 0.9132533341831163
Energy: 0.958174372900139
Energy: 0.9001340404943329
Energy: 0.9043163317034191
Energy: 0.9128551541672275
Energy: 0.9130636159583666
Energy: 0.9027153630595829
Energy: 0.9660086362781615
Energy: 0.915893765674146
Energy: 0.9141547292560526
Energy: 0.9145958033798604
Energy: 0.917307984924655
Energy: 0.9140368292306436
Energy: 0.9715894788990894
Energy: 0.8856790395030995
Energy: 0.9109184499214561
Energy: 0.9162769769536331
Energy: 0.8860129888349179
Energy: 0.9048518157896315
Energy: 1.0091690232200639
Energy: 0.9152332781093462
Energy: 0.9151922713296214
Energy: 0.905375223166364
Energy: 0.8642153162060398
Energy: 0.9153261761967506
Energy: 0.9677287328366099
Energy: 0.8947944506802424
Energy: 0.893768050385628
Energy: 0.9141247165240006
Energy: 0.9003951117249556
Energy: 0.8937089758494529
Energy: 0.9662055674400587
Energy: 0.9093604785857325
Energy: 0.9074533627239719
Energy: 0.9082811996474464
Energy: 0.9065517588003863
Energy: 0.9070964106365387
Energy: 0.9578727701234394
Energy: 0.9047557164373579
Energy: 0.8977697660839775
Energy: 0.9200732069678509
Energy: 0.9035885746180322
Energy: 0.9196063532795342
Energy: 0.9874104123822748
Energy: 0.9074149349098656
Energy: 0.9085018394282867
Energy: 0.8664636405168268
Energy: 0.890294973850377
Energy: 0.9091182333281957
Energy: 0.9658071023012613
Energy: 0.91268471856649
Energy: 0.9125587421160866
Energy: 0.9070046205131443
Energy: 0.9179992277814845
Energy: 0.8897047926370398
Energy: 0.9366301409140442
Energy: 0.9127162908369596
Energy: 0.9125722875535502
Energy: 0.8907616637792942
Energy: 0.9183477644947512
Energy: 0.889767806387454
Energy: 0.9382308574785821
Energy: 0.9071355872144289
Energy: 0.9076317457068162
Energy: 0.9070567839428709
Energy: 0.9086927034990194
Energy: 0.9084192616242638
Energy: 0.9373746165148121
Energy: 0.91595935372027
Energy: 0.9147232514571229
Energy: 0.9191624193263283
Energy: 0.915146840959965
Energy: 0.9149064439652106
Energy: 0.9411314632342684
Energy: 0.9059956279478848
Energy: 0.9042558783406698
Energy: 0.8640799563333526
Energy: 0.9047691135964179
Energy: 0.8660271623635301
Energy: 0.9731059580732818
Energy: 0.9043155646386247
Energy: 0.9073382761470015
Energy: 0.864100727121475
Energy: 0.904501499395463
Energy: 0.9061696249111653
Energy: 0.97550431839667
Energy: 0.9147240636328157
Energy: 0.9166318855095933
Energy: 0.9179924886827138
Energy: 0.9143337775952813
Energy: 0.9164550501454869
Energy: 0.9591488097403951
Energy: 0.9046531803734711
Energy: 0.9115199275637245
Energy: 0.9229176915664187
Energy: 0.9118612946281701
Energy: 0.910593002570462
Energy: 0.9733230289692335
Energy: 0.9162211638702059
Energy: 0.91561932384096
Energy: 0.9155488059508291
Energy: 0.9172733802312004
Energy: 0.915563491427899
Energy: 0.9852794189498034
Energy: 0.9262905621409923
Energy: 0.9250395996310968
Energy: 0.9214366121347982
Energy: 0.9233762071543735
Energy: 0.9245663848841187
Energy: 0.9857882676395311
Energy: 0.8840405986596708
Energy: 0.9128996623361765
Energy: 0.9035939816410294
Energy: 0.8844684189778813
Energy: 0.9045710421130483

minimum gb energy = 0.8640799563333526 eV
minimum distance =  2.57349387853645 Angstroms
sigma value = 101


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

Energy: 0.9787017436391305
Energy: 0.8780798479373003
Energy: 0.8684366687731615
Energy: 0.8676522114126918
Energy: 0.8715697089402978
Energy: 0.8691296572166436
Energy: 0.958610823709044
Energy: 0.8708056999263682
Energy: 0.8698708818753819
Energy: 0.873499601958529
Energy: 0.8658613991560983
Energy: 0.8695076142485021
Energy: 0.9577731217969493
Energy: 0.8695631634010088
Energy: 0.8663595980751365
Energy: 0.8722912288585251
Energy: 0.8702298612757137
Energy: 0.8655101810544522
Energy: 0.9266033711893799
Energy: 0.868530009594696
Energy: 0.8667944780862785
Energy: 0.8719026230800793
Energy: 0.8718874945027355
Energy: 0.8664516485030543
Energy: 0.914246780129366
Energy: 0.8692958347019236
Energy: 0.8692900166391346
Energy: 0.867860465820803
Energy: 0.8816704561000134
Energy: 0.8708426269779423
Energy: 0.9265028726533805
Energy: 0.8692863922717738
Energy: 0.8678281551231476
Energy: 0.8670162007892119
Energy: 0.8720356133200873
Energy: 0.8676447443141666
Energy: 0.937688717383845
Energy: 0.8666261228747255
Energy: 0.8631454252580578
Energy: 0.8779164763472523
Energy: 0.8673666890393192
Energy: 0.8623388712017886
Energy: 0.9194475048776858
Energy: 0.8709943646189654
Energy: 0.870852543011384
Energy: 0.868291331496221
Energy: 0.8700156609943553
Energy: 0.8707419967519764
Energy: 0.9091960322359326
Energy: 0.8695009909519209
Energy: 0.865334359039617
Energy: 0.868666874849367
Energy: 0.864813645408336
Energy: 0.8648530263337795
Energy: 0.9102950308399071
Energy: 0.869099686376834
Energy: 0.8674148638422065
Energy: 0.8670599436509517
Energy: 0.871663721713684
Energy: 0.8670781725394328
Energy: 0.9303661266382987
Energy: 0.8565584068420586
Energy: 0.8559220489041071
Energy: 0.866147687242282
Energy: 0.8688774357448358
Energy: 0.8590616783509399
Energy: 0.9448700773516047
Energy: 0.8696822402144214
Energy: 0.8683180020230301
Energy: 0.8729666985317496
Energy: 0.8719321844615198
Energy: 0.8683910013329624
Energy: 0.9240177905181008
Energy: 0.8693975393785401
Energy: 0.8695432979499323
Energy: 0.8689217079132143
Energy: 0.8703386104472165
Energy: 0.8706072225191936
Energy: 0.9227251892730187
Energy: 0.8643936285229308
Energy: 0.8698788096057999
Energy: 0.8714305253286171
Energy: 0.8726575386009883
Energy: 0.8702877052972285
Energy: 0.944144258533375
Energy: 0.8731069910498824
Energy: 0.8926402336810755
Energy: 0.8744031002056185
Energy: 0.8741377650612789
Energy: 0.868889117650004
Energy: 0.9581464108014308
Energy: 0.8689195874900597
Energy: 0.8671393267182653
Energy: 0.8724423070398444
Energy: 0.8661661909393259
Energy: 0.8667821847311402
Energy: 0.926199266867721
Energy: 0.8720743560908226
Energy: 0.8672812723440528
Energy: 0.8665663542526446
Energy: 0.8723726824028974
Energy: 0.8642090422840982
Energy: 0.9911689673108478
Energy: 0.8640608077704783
Energy: 0.8706793452168077
Energy: 0.8686792084885572
Energy: 0.8653138466388811
Energy: 0.8675179298492023
Energy: 0.9584905400823782
Energy: 0.8711797394770132
Energy: 0.8702099085212279
Energy: 0.8661934146619119
Energy: 0.8711868780481421
Energy: 0.8704957695926699
Energy: 0.9281368665758254
Energy: 0.87085681306846
Energy: 0.8694722882169652
Energy: 0.8699844889346736
Energy: 0.8732642212557908
Energy: 0.8693464851256144
Energy: 0.9145349627993126
Energy: 0.8645660556028738
Energy: 0.8645402574992638
Energy: 0.8698133087633879
Energy: 0.865095659109407
Energy: 0.8663015853248409
Energy: 0.9249961490573494
Energy: 0.869401726180732
Energy: 0.8677387425383521
Energy: 0.866692559366214
Energy: 0.8723008837061119
Energy: 0.867540911730581
Energy: 0.9252345733529199
Energy: 0.864112940127389
Energy: 0.8634428095762037
Energy: 0.87764951103375
Energy: 0.8645248781015855
Energy: 0.8631822230361558
Energy: 0.9313166986314699
Energy: 0.8669263618440058
Energy: 0.8668877296110784
Energy: 0.8594308849501945
Energy: 0.8668215274993355
Energy: 0.8708037293128247
Energy: 0.9087403486019412
Energy: 0.8707746102781246
Energy: 0.8690969290886641
Energy: 0.8732791575374004
Energy: 0.8736725704162378
Energy: 0.8691699546093848
Energy: 0.9091905759151507
Energy: 0.8708145519841213
Energy: 0.8690993424832257
Energy: 0.8727227528372759
Energy: 0.8740361459000037
Energy: 0.8688478662565972
Energy: 0.9297759909937202
Energy: 0.8677490390390401
Energy: 0.8671253231091083
Energy: 0.8665054528876472
Energy: 0.8692152591123926
Energy: 0.8684094371027157
Energy: 0.9441506961094013
Energy: 0.8697753978989001
Energy: 0.86811663297361
Energy: 0.8725996222539467
Energy: 0.8709467874681437
Energy: 0.8706436147065981
Energy: 0.9247212220084556
Energy: 0.8651437858493605
Energy: 0.8638775737344597
Energy: 0.870117768289135
Energy: 0.8625500247411647
Energy: 0.8694427850692293
Energy: 0.9260190363621349
Energy: 0.8646108138030819
Energy: 0.8665119461990106
Energy: 0.8680709994864706
Energy: 0.865897550004694
Energy: 0.8670602475729261
Energy: 0.943478153783661
Energy: 0.8705329043783783
Energy: 0.8691795073642682
Energy: 0.8692914456091447
Energy: 0.8721768010306804
Energy: 0.8693008276505587
Energy: 0.9580214882530409
Energy: 0.8703908976915696
Energy: 0.8685065829368885
Energy: 0.8743593150461888
Energy: 0.8723477599367477
Energy: 0.8681436638518689
Energy: 0.9261004003326593
Energy: 0.8671046420617219
Energy: 0.8585935006496676
Energy: 0.8664150626464746
Energy: 0.8671972620329977
Energy: 0.8732460369283616

minimum gb energy = 0.8559220489041071 eV
minimum distance =  2.59042902302015 Angstroms
sigma value = 33


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

Energy: 0.010249280686776198
Energy: 1.2636076407936976
Energy: 0.010700415479082999
Energy: 0.011507832461386846
Energy: 1.2681930785050428
Energy: 0.010789068883584212
Energy: 0.3621136254052624
Energy: 0.09446720003375472
Energy: 0.09335518971024018
Energy: 0.09424428735605145
Energy: 0.09657912786310488
Energy: 0.09340969398648385
Energy: 1.5618352953740813
Energy: 1.2635877084815639
Energy: 1.2622930908148955
Energy: 1.2717054351196408
Energy: 1.2710056186494108
Energy: 1.2650296886541292
Energy: 0.3621136254056187
Energy: 0.09446720003375472
Energy: 0.09335518971162596
Energy: 0.09424428735605145
Energy: 0.09657912786415412
Energy: 0.09340969398612753

minimum gb energy = 0.010249280686776198 eV
minimum distance =  2.80988007257177 Angstroms
sigma value = 1