Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000025868416
cohesive_energy=4.290337375544713
mass=55.845
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=[1.6341560796146398e-19, 2.31524136672804e-19, 3.32184088057122e-19, 3.83942404218492e-19, 4.2713227974122996e-19, 4.64185818755748e-19, 4.96335095093592e-19, 5.244340689006839e-19, 5.4909797600448e-19, 5.70796254158742e-19, 5.89894199636022e-19, 6.066834085837079e-19, 6.21405809673534e-19, 6.34255266278214e-19, 6.454000069443179e-19, 6.5498422756890595e-19, 6.63126489222894e-19, 6.69937342094028e-19, 6.755065080738119e-19, 6.79917300347214e-19, 6.83243419039398e-19, 6.85550553392358e-19, 6.86896381764918e-19, 6.87333775986e-19, 6.86864338232238e-19, 6.85348679136474e-19, 6.82605752739066e-19, 6.78416060841156e-19, 6.72528061711206e-19, 6.6463093308222e-19, 6.543593786816461e-19, 6.41267993405232e-19, 6.24818445903954e-19, 6.04358650287774e-19, 5.79077905179888e-19, 5.47982861067216e-19, 5.098334332350419e-19, 4.6306910164185e-19, 4.0571278032128394e-19, 3.35229825838356e-19, 2.48334173916732e-19, 1.40717571587586e-19, 6.634196875469159e-21, -1.6170768766962e-19, -3.7536595269668996e-19, -6.50991603396978e-19, -1.0148875735708619e-18, -1.5109342768703339e-18, -2.21712406966188e-18, -3.2837250984483598e-18, -5.0314594796472595e-18, -8.22419696705076e-18, -1.491016016956446e-17, -3.1288426832395797e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013302404984736364
Energy: 0.01379676349641763
Energy: 0.2327906568849952
Energy: 0.2327906568849952
Energy: 0.2327547975171928
Energy: 0.013692943042440975
Energy: 0.01379676349641763
Energy: 1.138920271137283
Energy: 0.23269613235023592
Energy: 0.23274595921082095
Energy: 0.23272507929796224
Energy: 0.23270382377011753
Energy: 0.2327906568849952
Energy: 0.23269613235071218
Energy: 1.1389452989462487
Energy: 0.013636742514995491
Energy: 0.23276121840955732
Energy: 0.23277455259122418
Energy: 0.23272582976756098
Energy: 0.23274595921180136
Energy: 0.013636742514995491
Energy: 0.013456983432017202
Energy: 0.23356105973329588
Energy: 0.2327520001516761
Energy: 0.2327547975171928
Energy: 0.23272507929796224
Energy: 0.23276121840955732
Energy: 0.2335610597337721
Energy: 1.1393112783103818
Energy: 0.23275680157046116
Energy: 0.013692943042440975
Energy: 0.23270382377011753
Energy: 0.23277455259172838
Energy: 0.2327520001516761
Energy: 0.23275680156998496
Energy: 0.013479160570980798

minimum gb energy = 0.013302404984736364 eV
minimum distance =  2.46787725084159 Angstroms
sigma value = 1


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

Energy: 1.881470697416443
Energy: 1.266545936440152
Energy: 1.2604610909768026
Energy: 1.2363777704619971
Energy: 1.260270678147375
Energy: 1.266364950058118
Energy: 1.2430069600011437
Energy: 1.2915692588752277
Energy: 1.2600837515939711
Energy: 1.293873034433559
Energy: 1.2594941118998515
Energy: 1.260301385708519
Energy: 1.246544969777151
Energy: 1.259433872056497
Energy: 1.2930018593337518
Energy: 1.2321136142288711
Energy: 1.2598215149719079
Energy: 1.2609345279460884
Energy: 1.2330546658717376
Energy: 1.2577311749686342
Energy: 1.2945512785214208
Energy: 1.305597589575986
Energy: 1.2567192904397069
Energy: 1.260984658452002
Energy: 1.2395027181589133
Energy: 1.2574077957695624
Energy: 1.260061584291533
Energy: 1.225545667656105
Energy: 1.259335753891692
Energy: 1.2575993040477973
Energy: 1.2343345310506018
Energy: 1.2927557837757644
Energy: 1.2946053534897983
Energy: 1.288415140224731
Energy: 1.293776255438366
Energy: 1.292766478653899
Energy: 1.2303365368324513
Energy: 1.2928336452589304
Energy: 1.293814502053096
Energy: 1.3120488778380297
Energy: 1.2931330024767695
Energy: 1.2927866827369732
Energy: 1.2283317534426519
Energy: 1.2259511543198993
Energy: 1.260013344379707
Energy: 1.2477829889874779
Energy: 1.293117134532997
Energy: 1.2254521811724368
Energy: 1.2293723307241993
Energy: 1.2930098407531645
Energy: 1.2936765819046128
Energy: 1.2376260125085334
Energy: 1.293526856788942
Energy: 1.3036307716432936
Energy: 1.223803901558465
Energy: 1.2927284351085317
Energy: 1.2936417025449038
Energy: 1.2867325369044627
Energy: 1.2931025400752598
Energy: 1.3073898476123818
Energy: 1.2463239549901286
Energy: 1.2588429673805575
Energy: 1.2579198673302063
Energy: 1.2281934971846358
Energy: 1.25729531676838
Energy: 1.2603493725315642
Energy: 1.2285944119720316
Energy: 1.2586661578256264
Energy: 1.2625024971446577
Energy: 1.237282599921674
Energy: 1.2577727157848424
Energy: 1.2306563889972528
Energy: 1.2367022058947257
Energy: 1.258735211206918
Energy: 1.2624817816019323
Energy: 1.2370930060820653
Energy: 1.2577176661791838
Energy: 1.258265658753577
Energy: 1.2287540116039413
Energy: 1.259184549625754
Energy: 1.2575082892150982
Energy: 1.227382767860586
Energy: 1.257666111322263
Energy: 1.25911543468186
Energy: 1.2296798476680633
Energy: 1.2564660466314344
Energy: 1.2576753280413286
Energy: 1.284893910877377
Energy: 1.2573424220975662
Energy: 1.2946271152044153
Energy: 1.2316093193465847
Energy: 1.2599744382923597
Energy: 1.2597209181234634
Energy: 1.2357701219363095
Energy: 1.259508763231321
Energy: 1.2602310394150913
Energy: 1.2456326343526618
Energy: 1.2589562798893874
Energy: 1.2311637442243124
Energy: 1.2325383386182518
Energy: 1.2929856775210948
Energy: 1.2600603767670093
Energy: 1.2374292927636759
Energy: 1.2932104635909263
Energy: 1.2928482860493369
Energy: 1.293656285477717
Energy: 1.292846114846104
Energy: 1.2936406396413032
Energy: 1.24472525633429
Energy: 1.2935267119108267
Energy: 1.3043963820153321
Energy: 1.2365744131669467
Energy: 1.2930020109048155
Energy: 1.2929393815032122
Energy: 1.2478902975871822
Energy: 1.2939636072291212
Energy: 1.2313633010261607
Energy: 1.2326000011020835
Energy: 1.2926268052000194
Energy: 1.2934751267044853
Energy: 1.2367974948589209
Energy: 1.2934240578868104
Energy: 1.3071943186942119
Energy: 1.3086190173415095
Energy: 1.2928366176538257
Energy: 1.2931588121259399
Energy: 1.24813917211039
Energy: 1.2936762099961914
Energy: 1.292830860588219
Energy: 1.2300656811527513
Energy: 1.2928499415820767
Energy: 1.2595731207897816
Energy: 1.2424266246058473
Energy: 1.2917849797012861
Energy: 1.2619532698990266
Energy: 1.2384628303682321
Energy: 1.2600480024752403
Energy: 1.2598565586299295

minimum gb energy = 1.223803901558465 eV
minimum distance =  2.22734830646823 Angstroms
sigma value = 33


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

Energy: 2.53704230820236
Energy: 1.327888959341659
Energy: 1.31563773647412
Energy: 1.283557635023518
Energy: 1.3155308481673824
Energy: 1.3322270606078972
Energy: 1.4495520430985789
Energy: 1.3257678712462126
Energy: 1.315607316047576
Energy: 1.315035048352059
Energy: 1.314672035522388
Energy: 1.3293029866762125
Energy: 1.366843341719421
Energy: 1.3272628103545807
Energy: 1.5234429940314702
Energy: 1.3464227439800183
Energy: 1.326517306825927
Energy: 1.3294466405794252
Energy: 1.3117799295115142
Energy: 1.3256062440918144
Energy: 1.3256210097586871
Energy: 1.3593395752545894
Energy: 1.32536723395558
Energy: 1.3449540359132561
Energy: 1.3121386641024764
Energy: 1.3257546941016995
Energy: 1.305142014621071
Energy: 1.4262343647995965
Energy: 1.3475671981889334
Energy: 1.3411972187808532
Energy: 1.2808680397213794
Energy: 1.3521681022277419
Energy: 1.3514600593654542
Energy: 1.318212216273859
Energy: 1.3522528747733047
Energy: 1.3516996568231336
Energy: 1.2810450247550162
Energy: 1.3531473653496164
Energy: 1.352815860626835
Energy: 1.4573447193334792
Energy: 1.3542108202454533
Energy: 1.3530183523326365
Energy: 1.3613659996564538
Energy: 1.3113387482374157
Energy: 1.3136465220141444
Energy: 1.325036585460585
Energy: 1.3537920325458899
Energy: 1.3075406152134235
Energy: 1.3454446337703372
Energy: 1.3301158010312752
Energy: 1.3263834581811993
Energy: 1.3122218414081763
Energy: 1.3266921322433587
Energy: 1.4024534406619604
Energy: 1.2684731204300141
Energy: 1.3253204234248575
Energy: 1.3266090356580955
Energy: 1.3421255203193412
Energy: 1.3259114971871004
Energy: 1.321252484731048
Energy: 1.360712364266514
Energy: 1.305298937375282
Energy: 1.32678071701732
Energy: 1.4708375920092822
Energy: 1.3252646204408585
Energy: 1.3016643930884095
Energy: 1.280330266825492
Energy: 1.3018390908043307
Energy: 1.3019785314916033
Energy: 1.2684155658695775
Energy: 1.3014189326966068
Energy: 1.3019969437022774
Energy: 1.2686274969573013
Energy: 1.3017031301296509
Energy: 1.301938884149958
Energy: 1.3444384092396258
Energy: 1.30180736672164
Energy: 1.3021755588715893
Energy: 1.2802755208539043
Energy: 1.2728278811834535
Energy: 1.3269950520576086
Energy: 1.471615354404085
Energy: 1.3257474789204464
Energy: 1.3018311784927648
Energy: 1.2782233440904438
Energy: 1.3379866423625044
Energy: 1.3382397602051788
Energy: 1.3415878198786069
Energy: 1.3386920225267562
Energy: 1.3380572280006666
Energy: 1.274131802639394
Energy: 1.3377051619091624
Energy: 1.3546056464512388
Energy: 1.31214711782457
Energy: 1.33934558283526
Energy: 1.4154670035666617
Energy: 1.3408025530588121
Energy: 1.2711944660816554
Energy: 1.3382776995950778
Energy: 1.3948513436464163
Energy: 1.3385978702334451
Energy: 1.2713031685469878
Energy: 1.2733248132099508
Energy: 1.3383100927705398
Energy: 1.3381534546313516
Energy: 1.4217295410914128
Energy: 1.3381607404025786
Energy: 1.3492316553376373
Energy: 1.2710177763296502
Energy: 1.337975826423384
Energy: 1.3387703405357487
Energy: 1.3412564600502859
Energy: 1.3389608599766176
Energy: 1.3379297645831527
Energy: 1.2806023123523198
Energy: 1.3022696697095792
Energy: 1.3255598467464218
Energy: 1.368421024619046
Energy: 1.3251296017813279
Energy: 1.3052884061450398
Energy: 1.2749320004987181
Energy: 1.3051183547413738
Energy: 1.3200126172762303
Energy: 1.3232946478929009
Energy: 1.3016838200578238
Energy: 1.3105487945740368
Energy: 1.2798007844775001
Energy: 1.3059952806334376
Energy: 1.5158757591155414
Energy: 1.343286298186964
Energy: 1.3066991549934295
Energy: 1.3064681451179623
Energy: 1.4240684735745917
Energy: 1.5227440371727547
Energy: 1.3333470272022763
Energy: 1.4207544548550715
Energy: 1.3329256596704153
Energy: 1.3672660190956587
Energy: 1.2691913803180273
Energy: 1.3271274141066378
Energy: 1.3335462261581497
Energy: 1.304578154171685
Energy: 1.3331504253240527
Energy: 1.33942775755867
Energy: 1.424860060729966
Energy: 1.3674972398875311
Energy: 1.33078820365338
Energy: 1.3051478915387726
Energy: 1.3331937939086742
Energy: 1.3057794549068578
Energy: 1.2795377259816216
Energy: 1.3527040093537708
Energy: 1.3509920277182186
Energy: 1.3122050672871786
Energy: 1.3515142766562738
Energy: 1.3149318068037874
Energy: 1.2654110037502975
Energy: 1.3515623418995812
Energy: 1.3517854900852038
Energy: 1.385658799131018
Energy: 1.3516783562781576
Energy: 1.3521430556205314
Energy: 1.2800316692742564
Energy: 1.3512839709426032
Energy: 1.3142301354315247
Energy: 1.3118875867592201
Energy: 1.352358296440798
Energy: 1.422835136692054
Energy: 1.311930653865037
Energy: 1.3327615856778672
Energy: 1.4053309717919784
Energy: 1.399553358312477
Energy: 1.3322525060303292
Energy: 1.3322133603517976
Energy: 1.3122257206804777
Energy: 1.3326691602543241
Energy: 1.3219117795297008
Energy: 1.351493539580341
Energy: 1.3278179886916426
Energy: 1.3316577501128704
Energy: 1.4304805818416375
Energy: 1.3313835254003832
Energy: 1.3671331044844017
Energy: 1.3612603956917408
Energy: 1.3324579571054886
Energy: 1.3324397236431402
Energy: 1.3887085861795632
Energy: 1.3060064931473048
Energy: 1.302982697599345
Energy: 1.302508152750731
Energy: 1.3047014706946558
Energy: 1.3795464837654257
Energy: 1.266211924316937
Energy: 1.3016334183966256
Energy: 1.301943862443364
Energy: 1.2700174289372987
Energy: 1.301676030397442
Energy: 1.32462653871143
Energy: 1.4317188538434016
Energy: 1.3249279857995904
Energy: 1.3017351807277056
Energy: 1.31282262019217
Energy: 1.3057342202032207
Energy: 1.325691530505842
Energy: 1.3106197941406825
Energy: 1.3382786685844204
Energy: 1.338007325360391
Energy: 1.2785715172289713
Energy: 1.3379897772749592
Energy: 1.3375180890776581
Energy: 1.313757467202915
Energy: 1.3380429344088574
Energy: 1.337826701373332
Energy: 1.272204766943201
Energy: 1.3377179328197815
Energy: 1.3522126674108141
Energy: 1.43169487709776
Energy: 1.3308872850184539
Energy: 1.2712478709453863
Energy: 1.2717832626455379
Energy: 1.271253446517456
Energy: 1.3273029283256499
Energy: 1.3146173373392298
Energy: 1.3392298643296563
Energy: 1.3377209858649837
Energy: 1.2721786877426275
Energy: 1.3376504807499143
Energy: 1.3556879805720696
Energy: 1.310930988752098
Energy: 1.3382055662198682
Energy: 1.3381185402428692
Energy: 1.270649188951907
Energy: 1.338165630828871
Energy: 1.3375820488681414
Energy: 1.4322672694558998
Energy: 1.325367550138399
Energy: 1.305352777882943
Energy: 1.280191412171328
Energy: 1.3057547599254689
Energy: 1.3256542273477814
Energy: 1.2670809899116084
Energy: 1.3016351393424077
Energy: 1.3022038819555963
Energy: 1.2690666289629684
Energy: 1.3020032527682028
Energy: 1.3220908163911511

minimum gb energy = 1.2654110037502975 eV
minimum distance =  2.219229300148 Angstroms
sigma value = 51


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

Energy: 2.349001631600874
Energy: 1.3365392048636284
Energy: 1.351425626435927
Energy: 1.3890919953902272
Energy: 1.3512921551892465
Energy: 1.3366371708655411
Energy: 1.2634186989713179
Energy: 1.3510679755329094
Energy: 1.3496747401969262
Energy: 1.3469751329914033
Energy: 1.324783942896723
Energy: 1.3434950290051197
Energy: 1.5072290913175381
Energy: 1.322751920313728
Energy: 1.3512483753837141
Energy: 1.3266327590414502
Energy: 1.321809591456012
Energy: 1.3230661840901217
Energy: 1.3612901783306532
Energy: 1.3228935115088833
Energy: 1.3213656283875475
Energy: 1.3672196521524227
Energy: 1.3217067479860902
Energy: 1.3227699479414792
Energy: 1.3894243137486118
Energy: 1.3459031091887674
Energy: 1.3268761154654887
Energy: 1.5359372133478224
Energy: 1.3366508719680619
Energy: 1.3466120451143477
Energy: 1.3758945914405436
Energy: 1.3475830186969482
Energy: 1.3482508066408796
Energy: 1.3246986156901013
Energy: 1.3403779770139312
Energy: 1.3471220053636492
Energy: 1.3754803265437605
Energy: 1.3474798331358606
Energy: 1.3411450562718585
Energy: 1.4478047564399115
Energy: 1.3476359823171293
Energy: 1.3473972154005998
Energy: 1.529508326610301
Energy: 1.444184301942619
Energy: 1.3501246191034728
Energy: 1.3224408116575674
Energy: 1.3406371572574909
Energy: 1.34691827753198
Energy: 1.258554485761248
Energy: 1.3504876957137728
Energy: 1.3238488189491386
Energy: 1.361336825088091
Energy: 1.3223533501219131
Energy: 1.3232485868643578
Energy: 1.2582584453605306
Energy: 1.3227511406172434
Energy: 1.3239852640229677
Energy: 1.323353877605015
Energy: 1.3222985865624253
Energy: 1.3237374255150787
Energy: 1.5112934656388097
Energy: 1.3279178101062628
Energy: 1.344734137459082
Energy: 1.33737207718305
Energy: 1.4376362819459805
Energy: 1.3222348262819
Energy: 1.375989122942495
Energy: 1.3221276880150987
Energy: 1.3213063998193797
Energy: 1.36787531904641
Energy: 1.3212006076107523
Energy: 1.3224885800635702
Energy: 1.3584878322089764
Energy: 1.3222356344226798
Energy: 1.321777814817473
Energy: 1.318688886920263
Energy: 1.3212506785254787
Energy: 1.3227215726265178
Energy: 1.5058097118347584
Energy: 1.3260414194356624
Energy: 1.4432616208681264
Energy: 1.3298890935252816
Energy: 1.3226759900166594
Energy: 1.320884510556827
Energy: 1.3745780703332982
Energy: 1.3399902170738907
Energy: 1.3399923622028387
Energy: 1.4341784531797377
Energy: 1.3402562793604245
Energy: 1.3402353732310075
Energy: 1.3749234831267347
Energy: 1.3399562797980291
Energy: 1.3402510103918392
Energy: 1.4489005081433188
Energy: 1.3402791409112091
Energy: 1.3397837394138605
Energy: 1.533164614644196
Energy: 1.4379326639198393
Energy: 1.3258343116568234
Energy: 1.3233230583267492
Energy: 1.3271864833288611
Energy: 1.3264617284664932
Energy: 1.2610174004433192
Energy: 1.3224431029491202
Energy: 1.322944679023683
Energy: 1.3593905285764178
Energy: 1.3230198948075351
Energy: 1.3230128806635344

minimum gb energy = 1.2582584453605306 eV
minimum distance =  2.21997959876512 Angstroms
sigma value = 19


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

Energy: 2.121725118636503
Energy: 1.3867341506888606
Energy: 1.3403228755777792
Energy: 1.3401153266607733
Energy: 1.3943942789008785
Energy: 1.386298739385827
Energy: 1.3337059974836414
Energy: 1.3806686130324715
Energy: 1.3409209388657846
Energy: 1.3203800280250402
Energy: 1.3704511737810467
Energy: 1.380986241214788
Energy: 1.3563325214586632
Energy: 1.3809586020096365
Energy: 1.381251939187263
Energy: 1.3450995918078115
Energy: 1.3807906221772661
Energy: 1.394514196808543
Energy: 1.4976510012610984
Energy: 1.38100924837094
Energy: 1.3809204360416671
Energy: 1.4428613198979023
Energy: 1.3808650236399016
Energy: 1.381004907373884
Energy: 1.3865945387075196
Energy: 1.3805862198660586
Energy: 1.3829781465077946
Energy: 1.3206834290397214
Energy: 1.4021597078516472
Energy: 1.380791370969323
Energy: 1.4982301477507023
Energy: 1.3809272793716432
Energy: 1.3589874482831108
Energy: 1.320742020448145
Energy: 1.3812014260369379
Energy: 1.4195898483493332
Energy: 1.4988579114576768
Energy: 1.3810034953919421
Energy: 1.3918329992462162
Energy: 1.3770124517430076
Energy: 1.3808673999068206
Energy: 1.3808913924651884
Energy: 1.3564995881940036
Energy: 1.3806131886728015
Energy: 1.3599198054158237
Energy: 1.3227960379769335
Energy: 1.381389774734182
Energy: 1.3849212885705169
Energy: 1.3159638783389496
Energy: 1.3705303873395305
Energy: 1.3397804333334766
Energy: 1.3187876583268852
Energy: 1.3401241090609946
Energy: 1.3804508966639852
Energy: 1.3144833862012042
Energy: 1.3403487122277438
Energy: 1.3401941589997388
Energy: 1.3355898490031168
Energy: 1.3400652836143958
Energy: 1.3810505665629602
Energy: 1.3923568435633022
Energy: 1.3810899247996475
Energy: 1.3581811917948063
Energy: 1.3595580654983919
Energy: 1.3695042827267292
Energy: 1.3906531620179747
Energy: 1.3557519417959165
Energy: 1.384255795152432
Energy: 1.387793625909511
Energy: 1.4397233074656088
Energy: 1.3849267370327367
Energy: 1.3855714011060232
Energy: 1.6063161530689298
Energy: 1.388163968909586
Energy: 1.3873428599907125
Energy: 1.3803940925695732
Energy: 1.3878730087575826
Energy: 1.458316176014425
Energy: 1.3577561407105496
Energy: 1.3837204295583738
Energy: 1.385853856616515
Energy: 1.35496357003101
Energy: 1.3805612763595698
Energy: 1.3853263329814682
Energy: 1.3354930650677712
Energy: 1.3402112796776349
Energy: 1.4026331824243412
Energy: 1.3380016888825572
Energy: 1.370557496318229
Energy: 1.339971935242802
Energy: 1.3214704679712437
Energy: 1.3403324434793287
Energy: 1.3636408843436978
Energy: 1.3447347156816485
Energy: 1.3403725868779375
Energy: 1.3405113492693503
Energy: 1.3229948913145182
Energy: 1.3696207154882982
Energy: 1.3806967836770119
Energy: 1.355463817611243
Energy: 1.3810154731543238
Energy: 1.3699377889232636
Energy: 1.5052451312502628
Energy: 1.380716482645125
Energy: 1.3808202372064835
Energy: 1.3856899638150242
Energy: 1.3808617121790505
Energy: 1.3810662093133488
Energy: 1.5043092279774464
Energy: 1.3807787159992744
Energy: 1.3809996617799851
Energy: 1.4437604359463345
Energy: 1.3803489509530245
Energy: 1.3808100028915522
Energy: 1.3110696576344552
Energy: 1.3888374123423275
Energy: 1.3807047033781574
Energy: 1.3476427403901978
Energy: 1.3748819459878243
Energy: 1.3448289492122603
Energy: 1.3482666092029278
Energy: 1.3805637737875514
Energy: 1.4194395097906476
Energy: 1.499241395260362
Energy: 1.3807365658077804
Energy: 1.4087842809966387
Energy: 1.3491612754675977
Energy: 1.3805399995027123
Energy: 1.3811813797030577
Energy: 1.385165923931057
Energy: 1.3810292184193942
Energy: 1.376233597779485
Energy: 1.3224260103912953
Energy: 1.358498949568184
Energy: 1.3807382251704248
Energy: 1.3541315908433822
Energy: 1.3809833505059872
Energy: 1.3692459331410753
Energy: 1.3216114592879957
Energy: 1.3401627868685442
Energy: 1.381284173261826
Energy: 1.315290151036266
Energy: 1.3399713037472336
Energy: 1.3409126840991592
Energy: 1.333685050867907
Energy: 1.3398318642107518
Energy: 1.3703648214260111
Energy: 1.3420464448650373
Energy: 1.3403313606564637
Energy: 1.3400321790073721
Energy: 1.3211581947576494
Energy: 1.4066859212044605
Energy: 1.3874757425471334
Energy: 1.392113297919305
Energy: 1.3806739163618404
Energy: 1.358753225478726
Energy: 1.5154766520498524
Energy: 1.3849614311971592
Energy: 1.3851041512768856
Energy: 1.3804815331616724
Energy: 1.3857074530517641
Energy: 1.384333827446919
Energy: 1.3571307376262998
Energy: 1.384162565540655
Energy: 1.3880196878390856
Energy: 1.4721564305661086
Energy: 1.3844548486649746
Energy: 1.3810748862356226
Energy: 1.3918969023011014
Energy: 1.3805029492487737
Energy: 1.3587455229159096
Energy: 1.359954490722518
Energy: 1.3696324103812314
Energy: 1.3899997160926059
Energy: 1.3448040391433298
Energy: 1.3705084778661367
Energy: 1.34014740890596
Energy: 1.3362997134124666
Energy: 1.3401872393814687
Energy: 1.3636750360989867

minimum gb energy = 1.3110696576344552 eV
minimum distance =  2.18932464729571 Angstroms
sigma value = 27


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

Energy: 1.6844668441274895
Energy: 1.2878563732971366
Energy: 1.3301124045336274
Energy: 1.1593173057078017
Energy: 1.3306346287108666
Energy: 1.288239238952219
Energy: 1.1479234331596857
Energy: 1.2851331658809617
Energy: 1.2836795966241163
Energy: 1.1614984699279989
Energy: 1.2853113696934817
Energy: 1.288047141591657
Energy: 1.2084702120285573
Energy: 1.2838671305754126
Energy: 1.2836433664680447
Energy: 1.1582002558195044
Energy: 1.2837921985103466
Energy: 1.2837209080055678
Energy: 1.3224240099234634
Energy: 1.2867260572219577
Energy: 1.2846215569007426
Energy: 1.288228424570397
Energy: 1.285619409395014
Energy: 1.2862349943307694
Energy: 1.1594425639401837
Energy: 1.2881941938726476
Energy: 1.2826129023368027
Energy: 1.1585924374125847
Energy: 1.2830229291463477
Energy: 1.2880881066902705
Energy: 1.4292513194067136
Energy: 1.2865985786698995
Energy: 1.2850396273373184
Energy: 1.1612743504804042
Energy: 1.2867255402779925
Energy: 1.2875859264614349
Energy: 1.1579457506783417
Energy: 1.3305277984439032
Energy: 1.2881891103905994
Energy: 1.68794320880265
Energy: 1.3297348411383145
Energy: 1.3304403491378485
Energy: 1.160568169997588
Energy: 1.2845985610918176
Energy: 1.2840804340250007
Energy: 1.1590614722116745
Energy: 1.2867979966077885
Energy: 1.2836904471181028
Energy: 1.1568854040885166
Energy: 1.2836051190589313
Energy: 1.2833820844151664
Energy: 1.15879829442602
Energy: 1.2839633151814258
Energy: 1.2823331160077232
Energy: 1.3524747073917534
Energy: 1.2850527770380133
Energy: 1.2869823342385174
Energy: 1.286910871658116
Energy: 1.2865756833168616
Energy: 1.2844416432887085
Energy: 1.209559983104151
Energy: 1.2828865130365683
Energy: 1.287638717802477
Energy: 1.1585136642494667
Energy: 1.288098926995382
Energy: 1.2843990772892278
Energy: 1.3372963801470028
Energy: 1.28569580668126
Energy: 1.2864344396578582
Energy: 1.4417912100701396
Energy: 1.2861711103997977
Energy: 1.2850037776115906

minimum gb energy = 1.1479234331596857 eV
minimum distance =  2.25300405536048 Angstroms
sigma value = 9


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

Energy: 1.2286308439494458
Energy: 1.3542964674902649
Energy: 1.3458997434123503
Energy: 1.345518888091646
Energy: 1.3647012807787369
Energy: 1.435464155783428
Energy: 1.2905981954400736
Energy: 1.4876959950227253
Energy: 1.3005236445287416
Energy: 1.2825896639106633
Energy: 1.3000784514459862
Energy: 1.4413353987524629
Energy: 1.3148350339420656
Energy: 1.4685828905679692
Energy: 1.4679048185491783
Energy: 1.3218058022116959
Energy: 1.4477913647263632
Energy: 1.4516077744484335
Energy: 1.263097494232094
Energy: 1.468837928681315
Energy: 1.468142299399881
Energy: 1.4679974774718139
Energy: 1.4518306335334066
Energy: 1.4672424376817492
Energy: 1.321467830462546
Energy: 1.4674485487265194
Energy: 1.4683626403024788
Energy: 1.3214777943079306
Energy: 1.4524003870471538
Energy: 1.4670657928132067
Energy: 1.2824034449800774
Energy: 1.3004330519671783
Energy: 1.473859320402805
Energy: 1.3171781523399488
Energy: 1.4846458128805877
Energy: 1.3004135046529186
Energy: 1.272067931468363
Energy: 1.300045140217901
Energy: 1.4024029218812657
Energy: 1.4547874149697975
Energy: 1.2957292782308598
Energy: 1.2955173532898159
Energy: 1.2731373485458781
Energy: 1.3003271061603217
Energy: 1.5007791487620001
Energy: 1.3169853628610795
Energy: 1.484645058985628
Energy: 1.2949380581986913
Energy: 1.296795470784155
Energy: 1.4555719339470585
Energy: 1.487488087787399
Energy: 1.3198836026706937
Energy: 1.4882559374608415
Energy: 1.4557289511581355
Energy: 1.4022247154343521
Energy: 1.4510984311653583
Energy: 1.4304868595458222
Energy: 1.4560849845532613
Energy: 1.4305878474134852
Energy: 1.4553342263401303
Energy: 1.2954746298564517
Energy: 1.450117202837227
Energy: 1.4302623770201144
Energy: 1.3311668929474578
Energy: 1.4297473972085037
Energy: 1.4498057476701596
Energy: 1.2961521391769606
Energy: 1.4670330906341997
Energy: 1.3893435257292606
Energy: 1.3161313207656031
Energy: 1.388050450044836
Energy: 1.4502322627311854
Energy: 1.3177478788694457
Energy: 1.410881096486515
Energy: 1.4034249100062168
Energy: 1.3420661268610705
Energy: 1.4121161683038617
Energy: 1.4907218086095597
Energy: 1.2960596643971627
Energy: 1.5162003103788089
Energy: 1.3880001944828593
Energy: 1.3968711183271436
Energy: 1.3882023487307493
Energy: 1.5183264155889649
Energy: 1.2953182772693306
Energy: 1.5168746208683102
Energy: 1.4002122955637402
Energy: 1.339949632762678
Energy: 1.3907534826176646
Energy: 1.4106128099693593
Energy: 1.3618865296450484
Energy: 1.3879452242475319
Energy: 1.4148518471146359
Energy: 1.4169634654061094
Energy: 1.388737499596862
Energy: 1.406958737750207
Energy: 1.2984916012537333
Energy: 1.3880082194509757
Energy: 1.388924799825676
Energy: 1.3141768510715683
Energy: 1.3880187921326206
Energy: 1.4072818032022452
Energy: 1.292936754716816
Energy: 1.43205140629258
Energy: 1.4036379380688238
Energy: 1.3208699094502607
Energy: 1.4300693040378611
Energy: 1.4179069847633687
Energy: 1.2964010268097512
Energy: 1.4420248612036202
Energy: 1.4507208535901066
Energy: 1.6319653142223314
Energy: 1.4404430793915148
Energy: 1.4564814252068325
Energy: 1.5470111201283514
Energy: 1.4327034181267475
Energy: 1.487714146591725
Energy: 1.3204181697690762
Energy: 1.4298979900173583
Energy: 1.4807270892895343
Energy: 1.2764288865949458
Energy: 1.3652234260813343
Energy: 1.481169357738989
Energy: 1.314486727854394
Energy: 1.4862445721489335
Energy: 1.2956359803318007
Energy: 1.2770163118192381
Energy: 1.3008082768667253
Energy: 1.3609849573005286
Energy: 1.2967732943290644
Energy: 1.2999759286488284
Energy: 1.295589957601831
Energy: 1.2800678834275783
Energy: 1.3002684069540997
Energy: 1.3716649483870293
Energy: 1.2963838486215093
Energy: 1.299749244262299
Energy: 1.3007232608484667
Energy: 1.2830100989634639
Energy: 1.4675661101633781
Energy: 1.4667236082121173
Energy: 1.3156764595824648
Energy: 1.4753856002869243
Energy: 1.3650994384499502
Energy: 1.281595227849676
Energy: 1.4917842885546528
Energy: 1.4668278217371018
Energy: 1.3281532173828319
Energy: 1.4676317021020597
Energy: 1.522755286780445
Energy: 1.3203882208592417
Energy: 1.4473774788847875
Energy: 1.4856576635116292
Energy: 1.4451294939113792
Energy: 1.451645279430176
Energy: 1.4672506707516701
Energy: 1.3144116877703365
Energy: 1.4481670092138628
Energy: 1.3023512358793847
Energy: 1.281974135403871
Energy: 1.3731649795163856
Energy: 1.357983708104578
Energy: 1.3476618577018582
Energy: 1.3010435767524462
Energy: 1.3011516513213146
Energy: 1.282198906458856
Energy: 1.3014208000190732
Energy: 1.3881016583704424
Energy: 1.2932507893204734
Energy: 1.3006422168672167
Energy: 1.3003026840214604
Energy: 1.264027088819336
Energy: 1.3002052309666652
Energy: 1.4858767667407726
Energy: 1.3159087166926426
Energy: 1.482292781408294
Energy: 1.445458779063079
Energy: 1.2709577566140793
Energy: 1.4508886782112769
Energy: 1.389128435759003
Energy: 1.331212035409592
Energy: 1.4297654611422015
Energy: 1.4562822395691513
Energy: 1.5439013270032784
Energy: 1.4299398511114998
Energy: 1.4886065953717575
Energy: 1.3313221016180516
Energy: 1.4302040119570565
Energy: 1.4562779349809594
Energy: 1.2964486445641203
Energy: 1.4554410571789524
Energy: 1.4456453907102764
Energy: 1.320307679778988
Energy: 1.3887748648943807
Energy: 1.4499938934054923
Energy: 1.296299009372991
Energy: 1.4303632129051838
Energy: 1.3877891394655282
Energy: 1.3158697802487496
Energy: 1.3888762826503673
Energy: 1.3885248724495325
Energy: 1.3475420201735142
Energy: 1.3885075471086317
Energy: 1.4071095235532962
Energy: 1.3738334853989644
Energy: 1.3887167534328284
Energy: 1.3883571029430832
Energy: 1.317568912107616
Energy: 1.3877633985632134
Energy: 1.3936942513618988
Energy: 1.331137846703788
Energy: 1.4737277155883353
Energy: 1.5159318697173076
Energy: 1.2928693577185506
Energy: 1.5164403127139527
Energy: 1.4398364414751903
Energy: 1.3752997609857462
Energy: 1.3889112441925169
Energy: 1.4812101486080982
Energy: 1.2984130648594503
Energy: 1.3878308760822415
Energy: 1.4111469106061791
Energy: 1.3157939259842408
Energy: 1.4021244317598123
Energy: 1.4075005322418634
Energy: 1.3479511187781807
Energy: 1.3889818455227998
Energy: 1.4086790300785967
Energy: 1.3195899396422064
Energy: 1.3888279453263592
Energy: 1.43088094005935
Energy: 1.296443300026141
Energy: 1.429467319264692
Energy: 1.333559992381241
Energy: 1.31244461356647
Energy: 1.43031275562028
Energy: 1.455766957914303
Energy: 1.297414520046386
Energy: 1.4421831418023487
Energy: 1.4302344227197084
Energy: 1.2820484520464526
Energy: 1.4293701107870496
Energy: 1.4528659023354107
Energy: 1.5049969214239383
Energy: 1.4301541577894503
Energy: 1.4297285510901327
Energy: 1.3162464719761435
Energy: 1.4813459659377084
Energy: 1.5030942493620048
Energy: 1.271558513658341
Energy: 1.4414143968370257
Energy: 1.3891900720959107
Energy: 1.296463570283342
Energy: 1.3710028843261244
Energy: 1.3001927479552815
Energy: 1.2637455416639947
Energy: 1.299929404086999
Energy: 1.5247553154842641

minimum gb energy = 1.2286308439494458 eV
minimum distance =  2.22383305849197 Angstroms
sigma value = 57


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

Energy: 2.4060003597552075
Energy: 1.4038394526690994
Energy: 1.3464762894190732
Energy: 1.0995654937678632
Energy: 1.3409422725343678
Energy: 1.4044283932014878
Energy: 1.0947704495739399
Energy: 1.41682794626916
Energy: 1.0992140993493045
Energy: 1.1000567371265029
Energy: 1.289959569323873
Energy: 1.4160630514111843
Energy: 1.1026727594649435
Energy: 1.4166339325884865
Energy: 1.4169302245509883
Energy: 1.1387041345264066
Energy: 1.4176243865638554
Energy: 1.2900356156995199
Energy: 1.0948704060115142
Energy: 1.4265251073441736
Energy: 1.417483903179472
Energy: 1.0990034138656195
Energy: 1.4173104753032852
Energy: 1.0954453857742337
Energy: 1.0946287477884826
Energy: 1.328246346676583
Energy: 1.4177478502761955
Energy: 1.1008982340228295
Energy: 1.4264004414081803
Energy: 1.3267680850128012
Energy: 1.0985734875023474
Energy: 1.28899288744794
Energy: 1.4239200934197833
Energy: 1.1003696957526465
Energy: 1.2891084228628962
Energy: 1.2886819004063845
Energy: 1.2255038563515985
Energy: 1.2932553241651086
Energy: 1.2934181994292926
Energy: 1.0913588113834132
Energy: 1.293037518973074
Energy: 1.2934023141555993
Energy: 1.2334324075198029
Energy: 1.2892117712688245
Energy: 1.4157994957813131
Energy: 1.2901466956739334
Energy: 1.2893553381559977
Energy: 1.2899902685689035
Energy: 1.1395480043116373
Energy: 1.41613793931255
Energy: 1.4260589973189903
Energy: 1.1006473599150477
Energy: 1.415906389560081
Energy: 1.1396195317837268
Energy: 1.139329654976326
Energy: 1.2898057701068455
Energy: 1.4160310131582656
Energy: 1.0943470782300855
Energy: 1.290675534243708
Energy: 1.1395137879284774
Energy: 1.1003011593784386
Energy: 1.294155102970297
Energy: 1.4143349220986823
Energy: 1.172074834302816
Energy: 1.2901133468006718
Energy: 1.099298523714726
Energy: 1.1010798410218212
Energy: 1.4166731193966497
Energy: 1.2898070145629037
Energy: 1.1011468441151793
Energy: 1.4167393469036071
Energy: 1.4167535406973184
Energy: 1.1026631938970035
Energy: 1.4172832466343925
Energy: 1.3291199120559767
Energy: 1.2934458598183554
Energy: 1.4170463802980948
Energy: 1.4266119490640745
Energy: 1.1019961633579007
Energy: 1.4167205835509387
Energy: 1.4262416842008308
Energy: 1.3637573221517794
Energy: 1.4170552284947335
Energy: 1.4169177289902155
Energy: 1.1015411442532677
Energy: 1.4164855048600733
Energy: 1.290619117455853
Energy: 1.0988448895545446
Energy: 1.2909230778536513
Energy: 1.4280834942509517
Energy: 1.0910360571057087
Energy: 1.2906221980048431
Energy: 1.2931323580429381
Energy: 1.100323368226939
Energy: 1.2929590164784213
Energy: 1.3242487230922786
Energy: 1.0925063122075602
Energy: 1.2889177300297903
Energy: 1.2895015403631045
Energy: 1.1401916532435115
Energy: 1.2892570510555146
Energy: 1.4127850434908575
Energy: 1.1008873731636373
Energy: 1.4416120704992057
Energy: 1.2934239668183984
Energy: 1.1394106331119418
Energy: 1.2928385930573274
Energy: 1.4270836017837365
Energy: 1.096405252155057
Energy: 1.413955710576227
Energy: 1.2897553544988145
Energy: 1.2332695948880734
Energy: 1.2900523466225466
Energy: 1.4162872180540544

minimum gb energy = 1.0910360571057087 eV
minimum distance =  2.21658821486468 Angstroms
sigma value = 11


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

Energy: 1.5303806388639627
Energy: 1.3520496024640118
Energy: 1.0995490196162416
Energy: 1.1008452960396233
Energy: 1.099855920761996
Energy: 1.3528379562573247
Energy: 1.0306329005283361
Energy: 1.3470465975319241
Energy: 1.0310408769423653
Energy: 1.0313822789204699
Energy: 1.2255749347284426
Energy: 1.355755676491537
Energy: 1.0305759294607144
Energy: 1.3429599125569627
Energy: 1.3490141618518694
Energy: 1.0296226971837437
Energy: 1.3471760029304272
Energy: 1.356971408935589
Energy: 1.0256059697026862
Energy: 1.342825378475297
Energy: 1.3490319821511643
Energy: 1.0296086168325551
Energy: 1.3467169307182154
Energy: 1.352677273198346
Energy: 1.0258060792814954
Energy: 1.3423984330024274
Energy: 1.3569574622296763
Energy: 1.1147437286361228
Energy: 1.3468018375061341
Energy: 1.3532585542753977
Energy: 1.1147179697619465
Energy: 1.2307357143719573
Energy: 1.341201350022441
Energy: 1.1148480910086989
Energy: 1.342028644869824
Energy: 1.22617115903727
Energy: 1.1143737118515287
Energy: 1.2257037066003182
Energy: 1.3475324482003803
Energy: 1.0268911311459306
Energy: 1.3481635214605059
Energy: 1.2270110545177617
Energy: 1.18525480065986
Energy: 1.343086696269418
Energy: 1.3410591437236865
Energy: 1.1139633305444
Energy: 1.3424714464181775
Energy: 1.2509506444958642
Energy: 1.1142886220244406
Energy: 1.1893310539690267
Energy: 1.3527372813130858
Energy: 1.2255194526028974
Energy: 1.3486712433848684
Energy: 1.1892313487678654
Energy: 1.1115076177909726
Energy: 1.2141749305687888
Energy: 1.188756938882468
Energy: 1.2278071565167166
Energy: 1.189395367336798
Energy: 1.0333330516612147
Energy: 1.0531863895255151
Energy: 1.1884165840996728
Energy: 1.1878443523627964
Energy: 1.0254447191491305
Energy: 1.1879772643034443
Energy: 1.1923399136220518
Energy: 1.0505378844085245
Energy: 1.1898118189833704
Energy: 1.3494846647448278
Energy: 1.3755216640624401
Energy: 1.34097208599189
Energy: 1.0516647073634855
Energy: 1.1077501148866173
Energy: 1.188772875002764
Energy: 1.3416228801213432
Energy: 1.0254694094869972
Energy: 1.1885077087513407
Energy: 1.0516709310097845
Energy: 1.032543380459783
Energy: 1.0320711920908676
Energy: 1.3222548081343006
Energy: 1.0224179321776725
Energy: 1.1932533081800492
Energy: 1.0317557335280456
Energy: 1.032026591307719
Energy: 1.2243715473172656
Energy: 1.3539315895788193
Energy: 1.2250376270191992
Energy: 1.3417674672773625
Energy: 1.0303441364010173
Energy: 1.0295147869454762
Energy: 1.3489817395263648
Energy: 1.3421695522040968
Energy: 1.2248754605232317
Energy: 1.3422474595081555
Energy: 1.3476720651465932
Energy: 1.028101362202459
Energy: 1.3570492602600697
Energy: 1.353918584786159
Energy: 1.3531809854069394
Energy: 1.3495655313630441
Energy: 1.2265845672935598
Energy: 1.1155882690928256
Energy: 1.3489963150070123
Energy: 1.3414297730563998
Energy: 1.0256118822077374
Energy: 1.3423841015819082
Energy: 1.2252205425930212
Energy: 1.1130286236270244
Energy: 1.3422243325072707
Energy: 1.2270284780247445
Energy: 1.1139625211989452
Energy: 1.2307782875038522
Energy: 1.3415423118831604
Energy: 1.026537090447962
Energy: 1.3470423671169147
Energy: 1.224790948430329
Energy: 1.11350050445932
Energy: 1.225479452903739
Energy: 1.3425827162086676
Energy: 1.11405279478002
Energy: 1.3415975019260062
Energy: 1.2237021678629596
Energy: 1.1908299800474127
Energy: 1.345052179531364
Energy: 1.3419319457275132
Energy: 1.0300263473641043
Energy: 1.349166086182914
Energy: 1.1887022843457635
Energy: 1.1134961306809426
Energy: 1.1882351490764647
Energy: 1.3535213588924224
Energy: 1.0279183685724336
Energy: 1.1941677192083953
Energy: 1.0288748234552192
Energy: 1.1151816406975457
Energy: 1.2159794761488754
Energy: 1.3449513877280908
Energy: 1.0258300190595815
Energy: 1.1877653305395925
Energy: 1.1891686566824455
Energy: 1.1070159258945735
Energy: 1.187668532886016
Energy: 1.341849478862124
Energy: 1.1163888167672142
Energy: 1.3471629425237495
Energy: 1.0511016310717236
Energy: 1.050508534100917
Energy: 1.3410386744287475
Energy: 1.3575068990582515
Energy: 1.0252599034405725
Energy: 1.188644355718439
Energy: 1.0524205678113157
Energy: 1.0520162982086037
Energy: 1.1890081167680728
Energy: 1.319574667431646

minimum gb energy = 1.0224179321776725 eV
minimum distance =  2.18130033466308 Angstroms
sigma value = 41


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

Energy: 1.810365263866939
Energy: 0.9531270131352859
Energy: 1.020271366813041
Energy: 1.0202362468326538
Energy: 1.0204580681120992
Energy: 1.273745150836634
Energy: 1.2366784326922526
Energy: 1.230750711687158
Energy: 1.058706060546962
Energy: 1.095202867315473
Energy: 1.088039746261415
Energy: 1.2582593668243813
Energy: 1.1824452355628812
Energy: 1.230304345393415
Energy: 1.2641533771350641
Energy: 1.0426651348766005
Energy: 1.2303305087467096
Energy: 1.2593230700448914
Energy: 1.2372617957998242
Energy: 1.2308448688865783
Energy: 1.139331179629301
Energy: 1.0414954485050538
Energy: 1.2301318605089353
Energy: 1.246406624329311
Energy: 1.2372548206810166
Energy: 1.2308332057480567
Energy: 1.1399208953629163
Energy: 1.2003146935879319
Energy: 1.2307163372145415
Energy: 1.2461560264859317
Energy: 1.2450621203721173
Energy: 1.2608710560850576
Energy: 1.2591664712664379
Energy: 1.2004670941634588
Energy: 1.2598074069754455
Energy: 1.2591683226063155
Energy: 1.0937636457419861
Energy: 1.2592450789798275
Energy: 1.2619701712234865
Energy: 1.2594558659914075
Energy: 1.2597340381682776
Energy: 1.2593941732425038
Energy: 1.2377227645424154
Energy: 1.2594717411558622
Energy: 1.2593537691389618
Energy: 1.2488672354736978
Energy: 1.2600184075671652
Energy: 1.3010012350270173
Energy: 1.0930203928604536
Energy: 1.316291427250559
Energy: 1.2594452167799621
Energy: 1.258356550938052
Energy: 1.2595391018130218
Energy: 1.2804783176951586
Energy: 1.0935361953435492
Energy: 1.140135990712126
Energy: 1.2321887769093596
Energy: 1.278397392102258
Energy: 1.231315720448226
Energy: 1.1394575531646747
Energy: 1.0993788817298693
Energy: 1.2305195421807122
Energy: 1.2304608368413612
Energy: 1.3089565881866068
Energy: 1.2305208521491946
Energy: 1.1404746698888417
Energy: 1.0576224608208038
Energy: 1.1396712056911138
Energy: 1.2594631732883974
Energy: 1.2591285433494077
Energy: 1.2308118321245376
Energy: 1.1399938571696264
Energy: 1.0561510394477522
Energy: 1.0879264064428438
Energy: 1.0875054379557707
Energy: 1.2511954534894303
Energy: 1.0879942764873365
Energy: 1.0948160611139828
Energy: 1.0205461670377711
Energy: 1.1274307972996582
Energy: 1.23241213988912
Energy: 1.2812669990507783
Energy: 1.0876803955165337
Energy: 0.9730632039727433
Energy: 1.000420746854732
Energy: 1.0877531125301814
Energy: 1.2312274089229165
Energy: 1.2607301347779167
Energy: 1.2297781334178575
Energy: 1.0879763773889861
Energy: 1.0009101603759785
Energy: 1.088645748114567
Energy: 1.2313679648685452
Energy: 1.2612586424582526
Energy: 1.22929319714475
Energy: 0.9718749918153938
Energy: 0.9721811997622147
Energy: 0.973361755077648
Energy: 1.200927507944145
Energy: 1.2524645048754839
Energy: 1.0875124947122763
Energy: 0.973762249308887
Energy: 1.092538991339669
Energy: 1.0412828484727574
Energy: 1.2298437167193352
Energy: 1.2468286704963296
Energy: 1.0881744181734359
Energy: 1.0976883709487426
Energy: 1.0941820586249176
Energy: 1.2489298101172022
Energy: 1.2585654551265748
Energy: 1.2600885646755262
Energy: 1.2307580827464963
Energy: 1.1371769086735355
Energy: 1.0940889697937257
Energy: 1.2308576401665285
Energy: 1.2306068141170314
Energy: 1.2466378242345906
Energy: 1.2304855166362432
Energy: 1.1395459610685816
Energy: 1.182591975616908
Energy: 1.1405786589103515
Energy: 1.2458934124685754
Energy: 1.2472737571063603
Energy: 1.2306771530187413
Energy: 1.1402487788893565
Energy: 1.1816434528886428
Energy: 1.2421289533303217
Energy: 1.2595188882226585
Energy: 1.292826497352223
Energy: 1.2599620238149485
Energy: 1.2799197428204159
Energy: 1.0934175027919626
Energy: 1.261898626889007
Energy: 1.2594313102503938
Energy: 1.2490268253271901
Energy: 1.2597902545257758
Energy: 1.2608944060038698
Energy: 1.093394231075284
Energy: 1.2591864276544749
Energy: 1.2604067247680866
Energy: 1.3010152817478535
Energy: 1.2593281756498542
Energy: 1.2594200297466227
Energy: 1.244590794627508
Energy: 1.2607632025032194
Energy: 1.2592357399461502
Energy: 1.1413861906853286
Energy: 1.2592765020218744
Energy: 1.260672369498982
Energy: 1.0898593098242197
Energy: 1.230472426579932
Energy: 1.1409824950371654
Energy: 1.140393668703261
Energy: 1.2804614856379735
Energy: 1.2302054663904392
Energy: 1.087566021806774
Energy: 1.2317432611643113
Energy: 1.139625916001613
Energy: 1.1359280836860985
Energy: 1.2487245103202447
Energy: 1.2316564246517268
Energy: 1.244864267485297
Energy: 1.2314052399823736
Energy: 1.1395145442380912
Energy: 1.1367634533131512
Energy: 1.2308908206052163
Energy: 1.2589154361318236
Energy: 1.094455951611373
Energy: 1.229133515040487
Energy: 1.0878790528326705
Energy: 1.0418400531329828
Energy: 1.0876228655216342
Energy: 1.2583496912767902
Energy: 1.0885522086178594
Energy: 1.1775503017534454
Energy: 1.0150076804981656
Energy: 1.0876955305535603
Energy: 1.1770242586291808
Energy: 1.2310915720539652
Energy: 1.183538595183981
Energy: 1.0883744895425451
Energy: 1.0874741112897859
Energy: 0.9999924818244105
Energy: 1.0873423886362876
Energy: 1.230464737753915
Energy: 1.0421322567990894
Energy: 1.2300128196528453
Energy: 0.9720434217043885
Energy: 0.9722087548039997
Energy: 1.2295581893649754
Energy: 1.2591818387721083
Energy: 1.2324332823487452
Energy: 1.088633697364154
Energy: 0.9719666925832062
Energy: 0.9717112557501765
Energy: 1.0888530125944003
Energy: 1.2020538022458147

minimum gb energy = 0.9531270131352859 eV
minimum distance =  2.17339941025193 Angstroms
sigma value = 33


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

Energy: 1.709482446871207
Energy: 0.8434376797362205
Energy: 0.9168287806091836
Energy: 0.9179160966257199
Energy: 0.9160604269942051
Energy: 0.910279874452286
Energy: 1.5620279898262377
Energy: 1.0735816791551196
Energy: 0.9221663873769596
Energy: 0.9477276337076276
Energy: 0.9461810458165149
Energy: 1.0743247981076331
Energy: 1.5470934597393158
Energy: 1.023135395370203
Energy: 1.0876496427812257
Energy: 0.9457097108731778
Energy: 1.0740140212363178
Energy: 1.1348103170739714
Energy: 1.5595123711501035
Energy: 1.0754744866284327
Energy: 0.9793628472171034
Energy: 0.9455844365781335
Energy: 1.0951004290060469
Energy: 1.0999777613598085
Energy: 1.5584744883604231
Energy: 1.0745816882310137
Energy: 1.1096575724685063
Energy: 1.0850867554962749
Energy: 1.0912903167703663
Energy: 1.098626487035922
Energy: 1.5435766338011196
Energy: 1.1330850597507174
Energy: 1.1312800048811709
Energy: 1.064920949206043
Energy: 1.0023041792577914
Energy: 1.1543661535874998
Energy: 1.4255795694367084
Energy: 1.1151134520773514
Energy: 1.130754911921784
Energy: 1.1428434949451285
Energy: 1.1152161404466427
Energy: 1.1361113598592518
Energy: 1.3015727642393393
Energy: 1.0207447609734779
Energy: 1.1456581500996776
Energy: 1.1456770125433458
Energy: 1.1459238772494045
Energy: 1.153344427105273
Energy: 1.4259914033473597
Energy: 1.1493991001748882
Energy: 1.1283765030491517
Energy: 1.1302380661492484
Energy: 1.1279474572566401
Energy: 1.1496857966232505
Energy: 1.4270208877885155
Energy: 1.1368599202261158
Energy: 1.156298918982402
Energy: 1.15422622855405
Energy: 1.1469682813065254
Energy: 1.1364334170357142
Energy: 1.277946429745152
Energy: 1.157541279438738
Energy: 1.1530780950453732
Energy: 1.1485240997631454
Energy: 1.156455799572945
Energy: 1.1561719321336792
Energy: 1.3045668763685594
Energy: 1.1551289511046543
Energy: 1.1450916617358617
Energy: 1.1382920555644354
Energy: 1.1570817782171454
Energy: 1.1506254328479169
Energy: 1.4098293845935634
Energy: 1.1282211694402209
Energy: 1.1278613921282894
Energy: 1.1524978394122969
Energy: 1.1293875389482781
Energy: 1.1300134533111597
Energy: 1.166656109991086
Energy: 1.0532271798010227
Energy: 1.1328742046017166
Energy: 1.1529364889885014
Energy: 1.148418146675012
Energy: 1.1351524449942985
Energy: 1.0506266875234116
Energy: 1.1166608464798071
Energy: 1.1149087195025915
Energy: 1.1557353421897154
Energy: 1.1153684878035524
Energy: 1.1455376553740098
Energy: 1.1670429709413122
Energy: 1.0744456509735816
Energy: 1.021389848920816
Energy: 1.1451538071236413
Energy: 1.0960995971638698
Energy: 1.0914508824851825
Energy: 0.9498165030316265
Energy: 1.0080761922139803
Energy: 1.1323311576046386
Energy: 1.1301178506664915
Energy: 1.0953474725384793
Energy: 1.0023324652675227
Energy: 0.9464245253522571
Energy: 1.0738362287478471
Energy: 1.074017309979235
Energy: 1.1487918061438018
Energy: 1.0737539405319318
Energy: 0.9479726386680343
Energy: 0.9469763278924762
Energy: 0.8769412413291431
Energy: 1.1364352829648443
Energy: 1.1446579661822764
Energy: 1.0243213845623995
Energy: 0.9807356616079711
Energy: 0.9244765807847961
Energy: 0.9458909596114912
Energy: 0.9469711056345672
Energy: 1.1380776037694151
Energy: 0.9464813247633441
Energy: 0.9471649660384208
Energy: 0.8561210072361269
Energy: 0.8577122453530915
Energy: 1.0752799175302499
Energy: 1.129215368089489
Energy: 0.9498546647893941
Energy: 0.8581295366108803
Energy: 0.8759201119752179
Energy: 0.9459696915439791
Energy: 1.0227717004443486
Energy: 1.134162036209145
Energy: 1.0772446278358134
Energy: 0.858146464793034
Energy: 0.8754029933762846
Energy: 0.9455581704876034
Energy: 1.0739927971313123
Energy: 1.1294637691283447
Energy: 1.074282856141922
Energy: 0.8752417858244378
Energy: 0.8567386823294898
Energy: 0.8600249324039927
Energy: 0.8384916398873519
Energy: 1.0999640311613559
Energy: 0.8759214767218259
Energy: 0.8588510660292457
Energy: 0.9461087552209346
Energy: 0.9455325266355051
Energy: 1.0734190712958762
Energy: 1.142636409413898
Energy: 0.9467020813725365
Energy: 0.9464162879357948
Energy: 0.9474361195059224
Energy: 1.087647850013441
Energy: 1.1448102504318025
Energy: 1.1165571622023382
Energy: 1.0240520676081155
Energy: 0.9791289298393859
Energy: 0.9465345307541078
Energy: 1.074872754968282
Energy: 1.0748646155211057
Energy: 1.1506290436430409
Energy: 1.073526145782662
Energy: 0.979151407527089
Energy: 0.9488431170752466
Energy: 0.8431916688889063
Energy: 1.1004668830940498
Energy: 1.1516807029190768
Energy: 1.0757015680259574
Energy: 1.0023083083805433
Energy: 1.1421584233790483
Energy: 1.0989715998301548
Energy: 1.1350301363502866
Energy: 1.1470127420699463
Energy: 1.0446525191210492
Energy: 1.074281973043684
Energy: 1.180386177291473
Energy: 1.1152129742046055
Energy: 1.1146861059363924
Energy: 1.1555232461476963
Energy: 1.1154690298534222
Energy: 1.129467220620899
Energy: 1.179892754955336
Energy: 1.145272636902514
Energy: 1.1530526900470375
Energy: 1.1543873098593178
Energy: 1.1512986299894712
Energy: 1.146506042659381
Energy: 1.422286746049155
Energy: 1.127999324172652
Energy: 1.1478998106918405
Energy: 1.1550743932098362
Energy: 1.1296515572125487
Energy: 1.129456954713532
Energy: 1.422242790719723
Energy: 1.1556567559922941
Energy: 1.1431677304462091
Energy: 1.1519599460335712
Energy: 1.1463452744029314
Energy: 1.1547999221741414
Energy: 1.4217503410924557
Energy: 1.1559101075380391
Energy: 1.1553429402508892
Energy: 1.1430331884505138
Energy: 1.1582883978615865
Energy: 1.1547674571614783
Energy: 1.423874500803776
Energy: 1.1436853932807278
Energy: 1.1552677077935098
Energy: 1.143083834758946
Energy: 1.1583993950091795
Energy: 1.136619836782183
Energy: 1.565761653979452
Energy: 1.128792259966714
Energy: 1.1279237978846188
Energy: 1.1318099250769929
Energy: 1.1282111949289038
Energy: 1.12944196102653
Energy: 1.4306095530645198
Energy: 1.0546237924478243
Energy: 1.1458049962021073
Energy: 1.1231589109630349
Energy: 1.146385813496546
Energy: 1.1561819918150393
Energy: 1.5558131998116458
Energy: 1.115198806265673
Energy: 1.1154450750209801
Energy: 1.1248265724286082
Energy: 1.1145610725298967
Energy: 1.1366050005306776
Energy: 1.5467669793493644
Energy: 1.134615275396951
Energy: 1.128631277545296
Energy: 1.0896791113223487
Energy: 1.0968406747226944
Energy: 1.1536717096930096
Energy: 1.5737980396768658
Energy: 1.0760425915025755
Energy: 1.0071814380756865
Energy: 1.0012653190428549
Energy: 1.121377087897645
Energy: 1.128108154133783
Energy: 1.575243006289275
Energy: 1.074646542101676
Energy: 0.9799061925956988
Energy: 0.9791303866704326
Energy: 1.074256116150562
Energy: 1.0739305278014597
Energy: 1.5437485173385226
Energy: 1.023449644625151
Energy: 0.9792859964969252
Energy: 0.9462032452895962
Energy: 1.0750107965842401
Energy: 1.1335586723310311
Energy: 1.560744966538339
Energy: 0.9466646480607357
Energy: 0.9457632435161815
Energy: 0.9236848583576363
Energy: 0.9453003007632423
Energy: 1.0736767222177286
Energy: 1.7128826979848082
Energy: 0.9462915285982952
Energy: 0.8586221822386466
Energy: 0.858273961000437
Energy: 0.8453872131685285
Energy: 1.1324766227038563
Energy: 1.5445121698035427
Energy: 1.0732766503069708
Energy: 0.946128766823009
Energy: 0.8752382647700967
Energy: 0.9454238427098787
Energy: 1.0751059053146614
Energy: 1.544792542736888
Energy: 1.0741788956142577
Energy: 0.8781198396959508
Energy: 0.8770163185435051
Energy: 0.9460813794791613
Energy: 1.0797422270291852
Energy: 1.8502930262887523
Energy: 0.9467471620030276
Energy: 0.8580731069918273
Energy: 0.8564433516275329
Energy: 0.857513444257472
Energy: 1.1007827230924694

minimum gb energy = 0.8384916398873519 eV
minimum distance =  2.22062814835722 Angstroms
sigma value = 67


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

Energy: 0.2502234591702958
Energy: 0.25163511582468834
Energy: 0.4910294289419917
Energy: 0.49121151202703944
Energy: 0.48971208537879646
Energy: 0.2503907543954958
Energy: 0.3393866883935219
Energy: 0.49113349724352806
Energy: 0.4062677812624843
Energy: 0.4072559652597581
Energy: 0.4060501014266952
Energy: 0.4921914154714276
Energy: 1.366344693317402
Energy: 0.4939824730029688
Energy: 0.49357443155194114
Energy: 0.5041322282318915
Energy: 0.49317812831014984
Energy: 0.4920613657231802
Energy: 0.2505287911247105
Energy: 0.40844425798318507
Energy: 0.40811060312719977
Energy: 0.49422471344123764
Energy: 0.40892309589858894
Energy: 0.2505784117275088
Energy: 0.26972328500971016
Energy: 0.42151550401927645
Energy: 0.4082270665754584
Energy: 0.49193074025884853
Energy: 0.4089201194612572
Energy: 0.2510533652981471
Energy: 1.3699138138575149
Energy: 0.40867728141227044
Energy: 0.4940404300041755
Energy: 0.49220932735222667
Energy: 0.49427850709786314
Energy: 0.494890201482777
Energy: 0.25220605260602896
Energy: 0.49241286212559104
Energy: 0.4070923429996493
Energy: 0.4230374597834231
Energy: 0.4071084902308517
Energy: 0.492644072014317

minimum gb energy = 0.2502234591702958 eV
minimum distance =  2.38639847568849 Angstroms
sigma value = 3


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

Energy: 1.6246727085389736
Energy: 1.0125944198461991
Energy: 1.038998629848551
Energy: 0.9602737594293426
Energy: 1.0397130035434439
Energy: 1.0904926759510194
Energy: 1.8569541717800628
Energy: 1.0155664860236766
Energy: 0.8482207429074053
Energy: 0.8499755898177282
Energy: 0.8487075605424885
Energy: 1.0551652353849859
Energy: 1.6939758607502948
Energy: 1.0154685437068394
Energy: 0.8476994862326377
Energy: 0.8492296976262401
Energy: 0.8476208394691699
Energy: 1.05831177837383
Energy: 1.6495051630589321
Energy: 0.9266888441022841
Energy: 0.8477904025178746
Energy: 0.8481449708630773
Energy: 0.8480118975223457
Energy: 1.0488800289594875
Energy: 1.5263537286109643
Energy: 0.9281463498215557
Energy: 0.9274317410477518
Energy: 0.9341298740102186
Energy: 0.9268122976017096
Energy: 1.0497582335916267
Energy: 1.5225387092823055
Energy: 1.0157173689338006
Energy: 0.9388490078992177
Energy: 0.9467380062084871
Energy: 0.9393873296387909
Energy: 1.0907006668567718
Energy: 1.7209973708771733
Energy: 1.0542538432746689
Energy: 0.9276586498031354
Energy: 0.9335376315835772
Energy: 0.9278311165806323
Energy: 1.0541208181063249
Energy: 1.5184446614443345
Energy: 1.0497713997699722
Energy: 1.0520360056715212
Energy: 0.9489584309297936
Energy: 1.0515720298015043
Energy: 1.1035995743134053
Energy: 1.7222918376194756
Energy: 1.0564364315024806
Energy: 1.0562784280594641
Energy: 1.0230554309068332
Energy: 1.0584227883707598
Energy: 1.0562019695260196
Energy: 1.5229195825115214
Energy: 1.1045194504661486
Energy: 1.0500061510890604
Energy: 1.0651920603749812
Energy: 1.0485368067923182
Energy: 1.1193067663587932
Energy: 1.5210955859560513
Energy: 1.1025904618329516
Energy: 1.0772426069958998
Energy: 1.0640377984948455
Energy: 1.1026276692812647
Energy: 1.102142168503322
Energy: 1.520801370551294
Energy: 1.102104272163373
Energy: 1.1029461300738523
Energy: 1.111588177985834
Energy: 1.1024308683228259
Energy: 1.1025456388991999
Energy: 1.5221897709370926
Energy: 1.1386583719802932
Energy: 1.1039835743827966
Energy: 1.103974445697464
Energy: 1.1043240291285386
Energy: 1.121169384578535
Energy: 1.5232426706451134
Energy: 1.1186011736214332
Energy: 1.1029105482443038
Energy: 1.1034092681102923
Energy: 1.118844446465831
Energy: 1.1175752456873251
Energy: 1.3927412895357554
Energy: 1.1186066340368408
Energy: 1.1368155323947509
Energy: 1.102975569939914
Energy: 1.1363452525475006
Energy: 1.1186946104020705
Energy: 1.3924898945338404
Energy: 1.1357776047635044
Energy: 1.1188836251696281
Energy: 1.1156746500076438
Energy: 1.122042816753981
Energy: 1.1359714812074893
Energy: 1.392665719499535
Energy: 1.107897821549652
Energy: 1.1176492037066394
Energy: 1.1354899271763579
Energy: 1.1190063032899675
Energy: 1.10371119190186
Energy: 1.2694139639991102
Energy: 1.1036784248683575
Energy: 1.10407267787986
Energy: 1.1395093982151556
Energy: 1.1185482645094376
Energy: 1.105127204109588
Energy: 1.3920581097808575
Energy: 1.1021075840834702
Energy: 1.1028012629492232
Energy: 1.115101335455928
Energy: 1.1023413763074261
Energy: 1.1134710721270653
Energy: 1.1475062246015677
Energy: 1.1016921814581895
Energy: 1.102244350919855
Energy: 1.1149240242686191
Energy: 1.1023260775321768
Energy: 1.0489265774464898
Energy: 1.143469989268306
Energy: 1.0514821021839715
Energy: 1.1050557410703692
Energy: 1.1711951035867911
Energy: 1.048959083828308
Energy: 1.0488659338142317
Energy: 1.1430791666291342
Energy: 1.0547318272718402
Energy: 1.058908056747795
Energy: 1.1360330858595336
Energy: 1.0591528410371949
Energy: 1.055731439131908
Energy: 0.9466264260425601
Energy: 1.0499386497422187
Energy: 1.0857664580788906
Energy: 1.1197846080104061
Energy: 1.0516153690865706
Energy: 1.052672403885753
Energy: 0.932443874338728
Energy: 0.9277544404938927
Energy: 1.06040989359174
Energy: 1.1222963750237236
Energy: 1.0546503149407662
Energy: 0.9280133560058246
Energy: 0.9674646628328731
Energy: 0.9392062882369011
Energy: 1.015326383571256
Energy: 1.1393237865628774
Energy: 1.0158227376367344
Energy: 0.9399688185519826
Energy: 0.9357534528874317
Energy: 0.9272434195761907
Energy: 1.0093491145326414
Energy: 1.0847087437072274
Energy: 0.9270102622769025
Energy: 0.9270047528755027
Energy: 0.8488789391388898
Energy: 0.8490128957988181
Energy: 1.0099840561678974
Energy: 1.084995733175259
Energy: 0.9272910922017005
Energy: 0.8493597432782538
Energy: 0.8489450151263074
Energy: 0.8482069870507808
Energy: 1.0152128507666915
Energy: 1.090392222102974
Energy: 1.015289829509485
Energy: 0.8486100339346075
Energy: 0.849941509023992
Energy: 0.8488875774940045
Energy: 1.0618254840138743
Energy: 1.103494672927201
Energy: 0.9391144406407979
Energy: 0.849089423875542
Energy: 0.9607497025258136
Energy: 1.0391285667836003
Energy: 1.049787416995237
Energy: 1.1019474082710403
Energy: 1.0385979421241331
Energy: 1.0426826174088581
Energy: 0.9693757950750191
Energy: 0.9416522830414579
Energy: 1.0590516565412393
Energy: 1.138300511535863
Energy: 0.9406250660076337
Energy: 0.940204592073848
Energy: 0.9341482938196092
Energy: 0.9268370102760416
Energy: 1.0581319745120878
Energy: 1.131971020067048
Energy: 1.0564309358787272
Energy: 0.9279563339976713
Energy: 0.9434138380525944
Energy: 0.9779577331365193
Energy: 1.0488839295520374
Energy: 1.1172590608860016
Energy: 1.049351667074652
Energy: 0.9421952530911546
Energy: 1.1434290878480187
Energy: 1.0497902121477949
Energy: 1.0504831412033004
Energy: 1.1019761042627128
Energy: 1.049629403385499
Energy: 1.0583809773095363
Energy: 1.1435963282268713
Energy: 1.0538145648131154
Energy: 1.0526109293802768
Energy: 1.1382292410312718
Energy: 1.0533815709081547
Energy: 1.054484924004426
Energy: 1.1421809499592983
Energy: 1.0504175453252484
Energy: 1.1030816101758907
Energy: 1.1241509262712317
Energy: 1.103218661872209
Energy: 1.055617574823133
Energy: 1.1628425471079447
Energy: 1.103098103705632
Energy: 1.103311142153003
Energy: 1.117206617249792
Energy: 1.1028024850422362
Energy: 1.1045368118005752
Energy: 1.2645939275267764
Energy: 1.1066904720480368
Energy: 1.1245388217058951
Energy: 1.124344150768742
Energy: 1.1387764674841307
Energy: 1.1073008794625712
Energy: 1.3935568635997135
Energy: 1.1023002922081924
Energy: 1.1185935626838743
Energy: 1.136780647539053
Energy: 1.1427003782767025
Energy: 1.1034737454435306
Energy: 1.3944912245833705
Energy: 1.1358155209336351
Energy: 1.1182370300921491
Energy: 1.11390382633736
Energy: 1.1186978012499955
Energy: 1.1365082045480996
Energy: 1.5197823853748202
Energy: 1.1177367978661648
Energy: 1.1371826367271092
Energy: 1.1169720677137234
Energy: 1.118328845925551
Energy: 1.1173396953206651
Energy: 1.534577975048661
Energy: 1.1188487585968288
Energy: 1.118064724220785
Energy: 1.1051928656845484
Energy: 1.1197822455010158
Energy: 1.11775598485809
Energy: 1.5250354737106657
Energy: 1.1191947171525676
Energy: 1.1026583113264465
Energy: 1.1115403801826806
Energy: 1.1034848584191026
Energy: 1.1192773646484397
Energy: 1.5646983068665115
Energy: 1.1236737371751266
Energy: 1.104947378614119
Energy: 1.1021518272411857
Energy: 1.1204372950347041
Energy: 1.1284613834724202
Energy: 1.586886508786145
Energy: 1.1044050348609367
Energy: 1.1077296454708603
Energy: 1.0650812067845095
Energy: 1.1040517685323827
Energy: 1.1157942186972447
Energy: 1.5650705429457314
Energy: 1.1040973383376844
Energy: 1.0518368848953283
Energy: 1.0692525140597282
Energy: 1.0494519953649932
Energy: 1.1038188991751443
Energy: 1.5235759821176185
Energy: 1.0553777475009043
Energy: 1.0566413327689335
Energy: 1.0709104805404077
Energy: 1.0563307487837037
Energy: 1.1124501346158229
Energy: 1.5159815170941444
Energy: 1.0504877486807582
Energy: 1.0491628071497359
Energy: 1.0645531894391511
Energy: 1.0490723094168886
Energy: 1.085034189170838
Energy: 1.516266415756157
Energy: 1.0490937490085204
Energy: 0.940138209173817
Energy: 0.9417286506753229
Energy: 0.9772462570604658
Energy: 1.0857017902226267
Energy: 1.6942573868835433
Energy: 1.0582852187072114
Energy: 0.9276937362617821
Energy: 0.9344703959378043
Energy: 0.9272686809702462
Energy: 1.0741679122809606
Energy: 1.856037437271833
Energy: 1.0178074956592105
Energy: 0.9394628047280246
Energy: 0.9457955889000208
Energy: 0.9396529215705041
Energy: 1.060613229987182

minimum gb energy = 0.8476208394691699 eV
minimum distance =  2.23517239737771 Angstroms
sigma value = 81


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

Energy: 1.6614769424441358
Energy: 1.1187942964827766
Energy: 1.1871014282314791
Energy: 1.0690369093222853
Energy: 1.186988517653449
Energy: 1.2443316371540964
Energy: 1.4531534101539947
Energy: 1.1261460826699605
Energy: 0.9431798428680853
Energy: 0.9433473267319249
Energy: 0.9438141674091274
Energy: 1.218559446822662
Energy: 1.5502410511945186
Energy: 1.1816189749225383
Energy: 0.9428214390863233
Energy: 0.9439638513310271
Energy: 0.9432132554620476
Energy: 1.2276981712032153
Energy: 1.4559196979903144
Energy: 1.0581442261506622
Energy: 0.9432859281191596
Energy: 0.9458210440449416
Energy: 0.9433526974692032
Energy: 1.1894194920760417
Energy: 1.45619312462814
Energy: 1.0586752354675255
Energy: 1.0580427941850286
Energy: 1.0728470901084273
Energy: 1.0578861196709932
Energy: 1.1895861365995208
Energy: 1.5494319815185955
Energy: 1.1743398316225384
Energy: 1.068290204897991
Energy: 1.059985703663614
Energy: 1.068120524122098
Energy: 1.2814711449780054
Energy: 1.3779554011544066
Energy: 1.2163862718443206
Energy: 1.059783331566941
Energy: 1.0678405424325963
Energy: 1.0599452352542555
Energy: 1.2274599456198398
Energy: 1.4479545437513741
Energy: 1.218415860112299
Energy: 1.2158761921131045
Energy: 1.0818436972891077
Energy: 1.2168597420871103
Energy: 1.2582014710649276
Energy: 1.3772183180058237
Energy: 1.2465784264581221
Energy: 1.221699198754274
Energy: 1.1994660219786857
Energy: 1.2282742888016076
Energy: 1.2463184646542613
Energy: 1.5500587203760925
Energy: 1.2556186589521783
Energy: 1.2152516469332508
Energy: 1.21325401001138
Energy: 1.2152530720810681
Energy: 1.2699354846491866
Energy: 1.4479748648247892
Energy: 1.2527645454753649
Energy: 1.2371045306708015
Energy: 1.2935981889479184
Energy: 1.2572544245557902
Energy: 1.2527957521304105
Energy: 1.3917308314414123
Energy: 1.2516325443401233
Energy: 1.25656711873891
Energy: 1.2835087240411556
Energy: 1.2530407579777127
Energy: 1.2866019835066584
Energy: 1.3927305737044147
Energy: 1.242026637060993
Energy: 1.2529741124790643
Energy: 1.285288040598574
Energy: 1.2546755778339087
Energy: 1.1911801924093606
Energy: 1.3913774371719336
Energy: 1.1907685902856469
Energy: 1.2640957250307845
Energy: 1.2673428510674982
Energy: 1.1890386652860414
Energy: 1.1902393644198073
Energy: 1.2299999443666016
Energy: 1.1914688492303664
Energy: 1.2710862859034324
Energy: 1.28264190073234
Energy: 1.2115791862674483
Energy: 1.1924172338013264
Energy: 1.1329842031597035
Energy: 1.1999357706985896
Energy: 1.236623068764211
Energy: 1.2573658698727694
Energy: 1.1915045327062133
Energy: 1.200379960747249
Energy: 1.1314544268374953
Energy: 1.1125708490669728
Energy: 1.2443792315809905
Energy: 1.294705231573618
Energy: 1.1893209131794154
Energy: 1.111812457381611
Energy: 1.134040690677172
Energy: 1.1122994692049175
Energy: 1.1641716491917316
Energy: 1.278079538704442
Energy: 1.11300375573556
Energy: 1.1121848109715489
Energy: 1.1327062307925515
Energy: 1.1099284157599927
Energy: 1.1601933193552336
Energy: 1.281258617950028
Energy: 1.1594293715875588
Energy: 1.1105924210944538
Energy: 1.0081748629407747
Energy: 1.0002687818445695
Energy: 1.15964652245775
Energy: 1.2819139947205147
Energy: 1.1593662275505916
Energy: 1.0005497249410682
Energy: 1.0206940215208546
Energy: 0.9927472421031301
Energy: 1.1662170975792712
Energy: 1.2997729195893075
Energy: 0.9932178922120153
Energy: 0.9925017947071767
Energy: 1.0044838141141972
Energy: 1.001664232466047
Energy: 1.2457411912725322
Energy: 1.2795443600409442
Energy: 1.037459397418084
Energy: 1.001519042082617
Energy: 1.128572407726399
Energy: 1.1573290334163164
Energy: 1.1991662533260437
Energy: 1.2662878707670313
Energy: 1.159694985369724
Energy: 1.158746268206258
Energy: 1.086617888809957
Energy: 1.0368693129444546
Energy: 1.2546076608729446
Energy: 1.2809833842364788
Energy: 1.0376263579825193
Energy: 1.0369405000302276
Energy: 1.085607247382927
Energy: 1.0292473014261865
Energy: 1.2248167057712138
Energy: 1.3004518766885051
Energy: 1.0306636145140904
Energy: 1.0292751362506527
Energy: 1.0944290271993353
Energy: 1.0453382602948134
Energy: 1.2098118885784426
Energy: 1.2752843379670171
Energy: 1.2097736303756885
Energy: 1.0442190621090606
Energy: 1.2280802207157806
Energy: 1.210292556852937
Energy: 1.2164905273022513
Energy: 1.275159963083437
Energy: 1.2092770309598704
Energy: 1.233508351370292
Energy: 1.281991563227525
Energy: 1.211789639736651
Energy: 1.2093066863138608
Energy: 1.3447126643222351
Energy: 1.2181238719877567
Energy: 1.2136667300907389
Energy: 1.3746039600035438
Energy: 1.2109271255490202
Energy: 1.258378416512596
Energy: 1.2742770212389651
Energy: 1.2599451939820472
Energy: 1.2110740716483204
Energy: 1.3748010120186072
Energy: 1.2983695880355015
Energy: 1.262453461208312
Energy: 1.1756040293192178
Energy: 1.262551372510949
Energy: 1.297323815710026
Energy: 1.4523263023877446
Energy: 1.260027594000317
Energy: 1.274944157939526
Energy: 1.2618082343845447
Energy: 1.2762593390276868
Energy: 1.2554234068559635
Energy: 1.550902812267843
Energy: 1.2584498674582079
Energy: 1.2171607558601443
Energy: 1.2641992695177269
Energy: 1.2536479200432844
Energy: 1.265808791163834
Energy: 1.5482920105453801
Energy: 1.2188537779231554
Energy: 1.219441047989959
Energy: 1.2302926161357308
Energy: 1.2189481507810924
Energy: 1.2662280669457082
Energy: 1.4569924048187948
Energy: 1.2171064728136884
Energy: 1.216581663759998
Energy: 1.229797356385168
Energy: 1.2166203119750085
Energy: 1.2625898216622433
Energy: 1.4504322098356686
Energy: 1.2178976910645882
Energy: 1.0738006647677214
Energy: 1.0811254879370373
Energy: 1.1770589136872487
Energy: 1.2333801337254244
Energy: 1.55039953958513
Energy: 1.237227671460599
Energy: 1.0583961828311117
Energy: 1.0644013260540697
Energy: 1.0584747383494701
Energy: 1.256069056151391
Energy: 1.5524869904905698
Energy: 1.1282019073580098
Energy: 1.0692325620121501
Energy: 1.077779892688461
Energy: 1.0695061925214622
Energy: 1.2276790536214215
Energy: 1.4523770086147887
Energy: 1.0602810312708755
Energy: 1.0606464408128669
Energy: 0.937696508304491
Energy: 1.0602462091104528
Energy: 1.2364282748836026

minimum gb energy = 0.937696508304491 eV
minimum distance =  2.27069370457605 Angstroms
sigma value = 43


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

Energy: 1.4589852044105533
Energy: 1.2877607560832272
Energy: 1.2764360055619461
Energy: 1.121754354970185
Energy: 1.2775620531991225
Energy: 1.3560432699792517
Energy: 1.3315952880804443
Energy: 1.2749295814584927
Energy: 0.9889249895937792
Energy: 0.9885978964748068
Energy: 0.9890327821589758
Energy: 1.3326768159449192
Energy: 1.34237778021693
Energy: 1.2740176769536318
Energy: 0.9883140211065411
Energy: 0.98834852444895
Energy: 0.9885479947089416
Energy: 1.3302246410997283
Energy: 1.3342234964073172
Energy: 1.1376269664705825
Energy: 0.9894494120199137
Energy: 0.9893354455693268
Energy: 0.9888863430480007
Energy: 1.315891658162714
Energy: 1.3342476088209239
Energy: 1.137846381664065
Energy: 1.1416163056210766
Energy: 1.1428575840224766
Energy: 1.1370950927064267
Energy: 1.3383547429121982
Energy: 1.341826492054466
Energy: 1.273209320411364
Energy: 1.1383288754495637
Energy: 1.1447484660496323
Energy: 1.1370330869219878
Energy: 1.3301796273011686
Energy: 1.3428135904697431
Energy: 1.3167286735251096
Energy: 1.1397947612933441
Energy: 1.141578913316396
Energy: 1.1394452861137911
Energy: 1.352705877428347
Energy: 1.3358282626415294
Energy: 1.3177382531238873
Energy: 1.3407661490191218
Energy: 1.1694694507873156
Energy: 1.3359969729228103
Energy: 1.3205028218334678
Energy: 1.343408805271725
Energy: 1.3559442770205858
Energy: 1.318487797621216
Energy: 1.2865108433553496
Energy: 1.3387401760920303
Energy: 1.3558107383516949
Energy: 1.3415563713396421
Energy: 1.3178025212484972
Energy: 1.316792597638314
Energy: 1.3352252845989816
Energy: 1.3172939852173657
Energy: 1.3245827618525485
Energy: 1.3408863396070174
Energy: 1.3181652719770276
Energy: 1.333239042078608
Energy: 1.331328399571277
Energy: 1.3513958227799847
Energy: 1.3181950635744102
Energy: 1.3406755247894817
Energy: 1.3166103544174195
Energy: 1.3534429065928397
Energy: 1.3680904542251637
Energy: 1.316803602226544
Energy: 1.3357145713689706
Energy: 1.167004983377353
Energy: 1.2112820712076517
Energy: 1.344406754999595
Energy: 1.3701675401017306
Energy: 1.318647469931633
Energy: 1.1429043349346253
Energy: 1.1631959155320495
Energy: 1.1369157645439096
Energy: 1.337540791448462
Energy: 1.3238418986059204
Energy: 1.2774801404987066
Energy: 1.13686235665789
Energy: 1.1651578035389034
Energy: 1.145452012569737
Energy: 1.2746509985512258
Energy: 1.3338028773312165
Energy: 1.1531732391706206
Energy: 1.1451057236648623
Energy: 0.9833493260640563
Energy: 1.1417893016702179
Energy: 1.272990586467305
Energy: 1.3739142874181052
Energy: 1.139801096044849
Energy: 1.1422305443066352
Energy: 0.9887191470225838
Energy: 0.9888471012737053
Energy: 1.274776764661264
Energy: 1.3309731798463504
Energy: 1.13998000625253
Energy: 0.9886894013552983
Energy: 0.9877532171692396
Energy: 0.9886351847818544
Energy: 1.2734373897016162
Energy: 1.3962679952354338
Energy: 1.1572467463648113
Energy: 0.9882906186165251
Energy: 0.9892787520272603
Energy: 0.9895771022555875
Energy: 1.1378508190792587
Energy: 1.3949810591354692
Energy: 1.137297012340799
Energy: 0.989756141974565
Energy: 1.1634915412078628
Energy: 1.1397629083043197
Energy: 1.1374576114001749
Energy: 1.3377398520761208
Energy: 1.1372427184058331
Energy: 1.1415686637621603
Energy: 1.162157813676571
Energy: 1.1478648223720793
Energy: 1.2734592483291385
Energy: 1.334238876576982
Energy: 1.137163250470921
Energy: 1.147294864578916
Energy: 1.1617633796690845
Energy: 1.1383668251193428
Energy: 1.333345382035975
Energy: 1.3827184052054249
Energy: 1.317635521262769
Energy: 1.138631291782804
Energy: 1.1692477145270348
Energy: 1.3404451595417994
Energy: 1.335375396076775
Energy: 1.317335428330863
Energy: 1.3408277840738974
Energy: 1.150257263969203
Energy: 1.3344954241978932
Energy: 1.3200877585046844
Energy: 1.3518427163847067
Energy: 1.3324410584893185
Energy: 1.3514119245344784
Energy: 1.3179161238361417
Energy: 1.3407158240839938
Energy: 1.3164993264185434
Energy: 1.318252136581145
Energy: 1.3619028847783425
Energy: 1.3138394229503882
Energy: 1.3166027904842958
Energy: 1.3412816447060403
Energy: 1.3133440751735141
Energy: 1.3183079780302949
Energy: 1.3367651652147012
Energy: 1.317574633817737
Energy: 1.3252713520386052
Energy: 1.3313065284509857
Energy: 1.3530820895898716
Energy: 1.3255289978907223
Energy: 1.3361329978888532
Energy: 1.3173614227808021
Energy: 1.3517298713648958
Energy: 1.3304306188240715
Energy: 1.31943890629452
Energy: 1.144171393391153
Energy: 1.1668657581170367
Energy: 1.3259323198786512
Energy: 1.3455339504396477
Energy: 1.3429259489377312
Energy: 1.338019801741952
Energy: 1.137174888809192
Energy: 1.142231852860233
Energy: 1.1373285197408634
Energy: 1.3557653614544771
Energy: 1.3438640154537471
Energy: 1.2743081071562605
Energy: 1.1474412804571594
Energy: 1.1377363024164266
Energy: 1.1529940724474261
Energy: 1.3379246431591303
Energy: 1.32872617592395
Energy: 1.1395233917872112
Energy: 1.1417703386538525
Energy: 0.9842105235752974
Energy: 1.1398571204233001
Energy: 1.2713498932672267

minimum gb energy = 0.9833493260640563 eV
minimum distance =  2.25822620891822 Angstroms
sigma value = 57


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

Energy: 1.664165692838836
Energy: 1.436574588101217
Energy: 1.0576847711148156
Energy: 1.2086699306263928
Energy: 1.4036351087086087
Energy: 1.4369806010612733
Energy: 1.0515407331960887
Energy: 1.2555936344123864
Energy: 1.055601361202548
Energy: 1.056482224154129
Energy: 1.055451395684437
Energy: 1.446168438030182
Energy: 1.0529601729070286
Energy: 1.258458643474375
Energy: 1.0533295282968889
Energy: 1.0534405662859958
Energy: 1.0534609285598475
Energy: 1.4527975653847602
Energy: 1.2961941235990186
Energy: 1.2538666371478089
Energy: 1.055000034618092
Energy: 1.0577914982396805
Energy: 1.0541333172747542
Energy: 1.433046528835489
Energy: 1.0508168773087632
Energy: 1.2544215663199194
Energy: 1.2519289086064274
Energy: 1.2530836765606208
Energy: 1.2537621929362737
Energy: 1.432757279548811
Energy: 1.0532080575136884
Energy: 1.2562272432014763
Energy: 1.2576233887594341
Energy: 1.0542372510761588
Energy: 1.2584748019981769
Energy: 1.4514288848792414
Energy: 1.0544954727121394
Energy: 1.4342107131329862
Energy: 1.2556842002848159
Energy: 1.252563959511042
Energy: 1.311438131977562
Energy: 1.4577984925035945
Energy: 1.3367247740997132
Energy: 1.4381932126105137
Energy: 1.4590535675420788
Energy: 1.0548759648472765
Energy: 1.458997065024601
Energy: 1.4372195863462665
Energy: 1.0536850607047021
Energy: 1.4578167899947758
Energy: 1.4194152417919434
Energy: 1.05220493872421
Energy: 1.4361086976251667
Energy: 1.4589400535312176
Energy: 1.0562801982574848
Energy: 1.2522776972251617
Energy: 1.446497824788628
Energy: 1.4276315995505877
Energy: 1.434517181331266
Energy: 1.251739072582139
Energy: 1.0586502397894042
Energy: 1.2551606556936294
Energy: 1.4246716314005292
Energy: 1.256936199236386
Energy: 1.2566959993605573
Energy: 1.2547519393352358
Energy: 1.0598150551778402
Energy: 1.2533864710760738
Energy: 1.4301441705060929
Energy: 1.0509013488156533
Energy: 1.2533587042305374
Energy: 1.252428381273239
Energy: 1.054703430940458
Energy: 1.054027572291811
Energy: 1.4187563444248013
Energy: 1.4192095015704262
Energy: 1.254435614473392
Energy: 1.0539618683739853
Energy: 1.0517629090241316
Energy: 1.0531684596454336
Energy: 1.4268090547523902
Energy: 1.2546252705147103
Energy: 1.0536175712275468
Energy: 1.0530827234601905
Energy: 1.0528880547798805
Energy: 1.0539921299219093
Energy: 1.259824711170053
Energy: 1.2534861139559674
Energy: 1.0542602257989104
Energy: 1.054148809558846
Energy: 1.0566632109407352
Energy: 1.0553599101730775
Energy: 1.435576447796191
Energy: 1.4328436182242192
Energy: 1.2533844949839037
Energy: 1.055450759564349
Energy: 1.0592296348869075
Energy: 1.2550573925373867
Energy: 1.256133448001235
Energy: 1.2517028383402091
Energy: 1.2565648268506127
Energy: 1.2546921596314742
Energy: 1.0582724156944208
Energy: 1.2552561901926562
Energy: 1.4240130437397365
Energy: 1.0551178718226333
Energy: 1.255098280608129
Energy: 1.254126901767609
Energy: 1.0559417704449225
Energy: 1.3116653136895513
Energy: 1.4340790794578342
Energy: 1.4599312594689957
Energy: 1.43718054816054
Energy: 1.252761927596017
Energy: 1.0542244862528944
Energy: 1.4589552569683637
Energy: 1.449954038842481
Energy: 1.4594332704118869
Energy: 1.4361924669091606
Energy: 1.4574422443864363
Energy: 1.0513135344516416
Energy: 1.436954253139981
Energy: 1.303642018500594
Energy: 1.0546857955573246
Energy: 1.4568036616342754
Energy: 1.4219586203134542
Energy: 1.0541128999844855
Energy: 1.4456558759872429
Energy: 1.2536106643948906
Energy: 1.2534230130427386
Energy: 1.253939479113869
Energy: 1.4452920729929115
Energy: 1.0538404103564663
Energy: 1.4248203501644718
Energy: 1.261375868553272
Energy: 1.2588952113578016
Energy: 1.2616174645386586
Energy: 1.4530234246866063
Energy: 1.0502073402957526
Energy: 1.2543282409296124
Energy: 1.2519622247077258
Energy: 1.059161852268583
Energy: 1.2525818713853765
Energy: 1.4189167234217772

minimum gb energy = 1.0502073402957526 eV
minimum distance =  2.25973057963744 Angstroms
sigma value = 17


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

Energy: 2.2946852570346308
Energy: 1.5762633045915808
Energy: 1.0902166343406832
Energy: 1.0897861213395823
Energy: 1.3698720292263435
Energy: 1.5773397474301465
Energy: 1.0817581372722758
Energy: 1.3792000193716105
Energy: 1.0962547813666244
Energy: 1.0897473364976427
Energy: 1.0960585070675488
Energy: 1.3695854359756348
Energy: 1.1056469672285727
Energy: 1.3798325746857738
Energy: 1.0902017697642974
Energy: 1.0905970907554994
Energy: 1.0904348112263533
Energy: 1.3577923307040762
Energy: 1.594786386450694
Energy: 1.3701640477213257
Energy: 1.091993069711415
Energy: 1.0897765390184935
Energy: 1.0893014357666342
Energy: 1.3694996764683676
Energy: 1.5914537731354557
Energy: 1.3804237009219689
Energy: 1.368916845778105
Energy: 1.1310513850797257
Energy: 1.3688574641990217
Energy: 1.2422288003919562
Energy: 1.1041355344922616
Energy: 1.220593572998847
Energy: 1.3784940968907016
Energy: 1.0852832404780588
Energy: 1.3798716811779979
Energy: 1.3576753187540271
Energy: 1.128590628717727
Energy: 1.3692272498093003
Energy: 1.3700592161612593
Energy: 1.129477760609658
Energy: 1.2408635140539797
Energy: 1.3683368225415096
Energy: 1.1302639242672632
Energy: 1.3798843910023655
Energy: 1.129443397691106
Energy: 1.1021645282932782
Energy: 1.3798681960038361
Energy: 1.3776051751027925
Energy: 1.1027777113805455
Energy: 1.3698038924889104
Energy: 1.5737353199028155
Energy: 1.0822234307107224
Energy: 1.3704225587938268
Energy: 1.1293870776419828
Energy: 1.0885128779468798
Energy: 1.0898721875419297
Energy: 1.3784600054274452
Energy: 1.3709022948954515
Energy: 1.08994422064576
Energy: 1.089375569232385
Energy: 1.087705591295456
Energy: 1.0887475428707483
Energy: 1.22002647896578
Energy: 1.1047878841393777
Energy: 1.0881951622072394
Energy: 1.0885269621716591
Energy: 1.0937579705466236
Energy: 1.0892385563264906
Energy: 1.368492785074666
Energy: 1.0824336396149719
Energy: 1.089485119796813
Energy: 1.0897369631172336
Energy: 1.1296035184657065
Energy: 1.3698538883332128
Energy: 1.370108193538505
Energy: 1.0822792655319726
Energy: 1.3703474940924287
Energy: 1.1287723891001598
Energy: 1.0829994205659288
Energy: 1.3807501509929185
Energy: 1.2217329566957027
Energy: 1.1054838607496378
Energy: 1.379909436116774
Energy: 1.0816763559506564
Energy: 1.1308964423404355
Energy: 1.3778648471968968
Energy: 1.369793917956954
Energy: 1.1295388367452577
Energy: 1.240410709443196
Energy: 1.3701992750960275
Energy: 1.1051550357784952
Energy: 1.221384062929314
Energy: 1.3792177957365992
Energy: 1.0925438570601813
Energy: 1.379974492447683
Energy: 1.1035089974518577
Energy: 1.0824491523850281
Energy: 1.368889329484238
Energy: 1.370386693214653
Energy: 1.1298800523210852
Energy: 1.3693786065079
Energy: 1.083353660331483

minimum gb energy = 1.0816763559506564 eV
minimum distance =  2.26412602947691 Angstroms
sigma value = 17


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

Energy: 2.4058365743647863
Energy: 1.5238716887870642
Energy: 1.128886040099965
Energy: 1.129653633736662
Energy: 1.1285385653002116
Energy: 1.6947880576833583
Energy: 1.412426915074394
Energy: 1.1303007386016555
Energy: 1.1379015428518533
Energy: 1.1385466819414647
Energy: 1.138041080241538
Energy: 1.13733656792863
Energy: 1.1328047382281963
Energy: 1.1383837143024493
Energy: 1.136837368993636
Energy: 1.1424206471516227
Energy: 1.137472788621164
Energy: 1.077543924304111
Energy: 1.7677353349789064
Energy: 1.653456311826136
Energy: 1.1260625515677853
Energy: 1.1295012926212584
Energy: 1.129369341493213
Energy: 1.6000761736029019
Energy: 1.127331582886798
Energy: 1.597229945919872
Energy: 1.4056264516121564
Energy: 1.1327047726003734
Energy: 1.5438257290529507
Energy: 1.1338407120268086
Energy: 1.1314219378198869
Energy: 1.12860692543422
Energy: 1.6427399872421842
Energy: 1.0744208847751844
Energy: 1.4025094390327602
Energy: 1.1283944341579877
Energy: 1.1358718675030368
Energy: 1.1400299937047698
Energy: 1.3147641627891666
Energy: 1.074370409814289
Energy: 1.1396111764363406
Energy: 1.1390285177293982
Energy: 1.1382501432570122
Energy: 1.1367885167900826
Energy: 1.1374952783165158
Energy: 1.1295267977553727
Energy: 1.1363248234143264
Energy: 1.1372127445422637
Energy: 1.1282234391404296
Energy: 1.1316637518552561
Energy: 1.0732105716692857
Energy: 1.3362859119957933
Energy: 1.1317880756969312
Energy: 1.1311391047650017
Energy: 1.3832585341246773
Energy: 1.1294076207155137
Energy: 1.1381199466584149
Energy: 1.3702623758944787
Energy: 1.1290346532203215
Energy: 1.1371461400519276
Energy: 1.380216862329027
Energy: 1.1357904372239447
Energy: 1.3535301186102768
Energy: 1.0729683265203596
Energy: 1.2587634205811489
Energy: 1.1356853445824802
Energy: 1.3696989253529517
Energy: 1.1396501838211792
Energy: 1.384580232104035
Energy: 1.0749699102564754
Energy: 1.2968680008916562
Energy: 1.1368727686241107
Energy: 1.2299808329458712
Energy: 1.3840605212634751
Energy: 1.38435884113857
Energy: 1.0770595607037043
Energy: 1.3852491082885114
Energy: 1.1243729321161626
Energy: 1.9444992035988944
Energy: 1.0748745237631339
Energy: 1.075658778356931
Energy: 1.07391189863736
Energy: 1.4187168129976386
Energy: 1.0811647229904764
Energy: 1.4061446025923552
Energy: 1.074203456273441
Energy: 1.0754103649346607
Energy: 1.0742126270600323
Energy: 1.0751258754935653
Energy: 1.5813943624955467
Energy: 1.2414497198952854
Energy: 1.0758953433358172
Energy: 1.07485898229293
Energy: 1.0762317937513797
Energy: 1.074849377496762
Energy: 1.3868733281331906
Energy: 1.749678631211017
Energy: 1.3839839965052054
Energy: 1.0748353268936612
Energy: 1.0737743966018178
Energy: 1.0748790224995275
Energy: 1.5981272737763288
Energy: 1.1324727672668073
Energy: 1.5203236824848823
Energy: 1.0761245819022833
Energy: 1.335400899298775
Energy: 1.0754836729307276
Energy: 1.3320984014334918
Energy: 1.370037342165907
Energy: 1.1272145589837004
Energy: 1.39402800246186
Energy: 1.0773313127735116
Energy: 1.3831902872878694
Energy: 1.1264657625716232
Energy: 1.3715785086307928
Energy: 1.143217210355638
Energy: 1.3877938573084458
Energy: 1.1040091233190379
Energy: 1.258439776292619
Energy: 1.1370796738496742
Energy: 1.380395981588429
Energy: 1.1357600486997266
Energy: 1.2534302658352952
Energy: 1.3451384215190725
Energy: 1.1361328226321896
Energy: 1.1372861452980394
Energy: 1.174658163064711
Energy: 1.1318703543982114
Energy: 1.0747674352773013
Energy: 1.1856468742983428
Energy: 1.1398245615221465
Energy: 1.130950577828125
Energy: 1.1307754568557145
Energy: 1.1409538395791643
Energy: 1.1319361577466696
Energy: 1.1820401468648554
Energy: 1.1391714793532726
Energy: 1.1399436727408956
Energy: 1.1348941269699093
Energy: 1.1359761644448625
Energy: 1.336468626032249
Energy: 1.1329222969027815
Energy: 1.1363996629745108
Energy: 1.1360972268712164
Energy: 1.127939341670518
Energy: 1.1373683044922507
Energy: 1.5985879233138758
Energy: 1.0746873057351294
Energy: 1.1281225038791414
Energy: 1.1405646218235939
Energy: 1.1330492715546632
Energy: 1.4009033642221962
Energy: 1.5432560063934206
Energy: 1.07817554767769
Energy: 1.543176089057981
Energy: 1.1280488301436198
Energy: 1.9493607539728606
Energy: 1.6649267124854674
Energy: 1.1284483105526448
Energy: 1.1328546795291858
Energy: 1.677009352126042
Energy: 1.642403241639073
Energy: 1.07352816656481
Energy: 1.3323755552667587
Energy: 1.140418543258842
Energy: 1.1362037497724828
Energy: 1.137910594735785
Energy: 1.3306145136755159
Energy: 1.130516556449862
Energy: 1.1368371034592917
Energy: 1.1358347219875993
Energy: 1.1360041261704865
Energy: 1.1358017887829726
Energy: 1.0737833666595833
Energy: 1.7472670474834724
Energy: 1.131905683494381
Energy: 1.1398235241459749
Energy: 1.1355990019950297
Energy: 1.133235397135496
Energy: 1.3426378339008946
Energy: 1.7652180876502916
Energy: 1.1362685619226103
Energy: 1.129753452944936
Energy: 1.1700527785483636
Energy: 1.132230357303686
Energy: 1.3489743799235234
Energy: 1.1317768149995229
Energy: 1.1369941879196155
Energy: 1.1372677418669743
Energy: 1.1461614338854365
Energy: 1.136061035105526
Energy: 1.0741745749751597
Energy: 1.3356951945396582
Energy: 1.3527912822904744
Energy: 1.1389887045573084
Energy: 1.1365211711487162
Energy: 1.1544489660497477
Energy: 1.0745485016004226
Energy: 1.3353870020215153
Energy: 1.392922257436878
Energy: 1.127350652178064
Energy: 1.235690968901952
Energy: 1.348743930693172
Energy: 1.3942417094003265
Energy: 1.0731592312824134
Energy: 1.075869900895691
Energy: 1.5422998853023155
Energy: 1.084481152416637
Energy: 1.3867225402975538
Energy: 1.0854849034657656
Energy: 1.0736470605659825
Energy: 1.0780496982173313
Energy: 1.5146806461255267
Energy: 1.0838996291644865
Energy: 1.0753337493186892
Energy: 1.0766965148634442
Energy: 1.0742121227641712
Energy: 1.0746429911361728
Energy: 1.0739483232621125
Energy: 1.2353477339900045
Energy: 1.075229691645523
Energy: 1.0751369479641038
Energy: 1.0738283614998496
Energy: 1.075859960727979
Energy: 1.3466873800427022
Energy: 1.1295377320690216
Energy: 1.0752991051117846
Energy: 1.0757299608806448
Energy: 1.0737373977571851
Energy: 1.109566771316548
Energy: 1.663165917844731
Energy: 1.3375401323972935
Energy: 1.0747779366426748
Energy: 1.0747109412163356
Energy: 1.585540530981334
Energy: 1.384903962563814
Energy: 1.38279422589789
Energy: 1.3705503994963042
Energy: 1.3842582609632716
Energy: 1.3831680104735007
Energy: 1.3301370141021327
Energy: 1.3874699187102648
Energy: 1.1410661445088552
Energy: 1.3717540805296902
Energy: 1.1373142014320758
Energy: 1.3854972700739117
Energy: 1.337769868422428
Energy: 1.2517479386117898
Energy: 1.1355859189164754
Energy: 1.1368397869460565
Energy: 1.1366922046264716
Energy: 1.0756317952225485
Energy: 1.3974895973485124
Energy: 1.1313650696654167
Energy: 1.1365711728232921
Energy: 1.1348853277195017
Energy: 1.1388598529989504
Energy: 1.0713220434955288

minimum gb energy = 1.0713220434955288 eV
minimum distance =  2.2640815603908 Angstroms
sigma value = 57


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

Energy: 1.9879227230302086
Energy: 1.6891987341297752
Energy: 1.1202521957216307
Energy: 1.1246467139508205
Energy: 1.120599053462209
Energy: 1.6908025139316538
Energy: 1.2724256502655957
Energy: 1.1334603611817489
Energy: 1.1316865091735149
Energy: 1.142552970711146
Energy: 1.132008267436123
Energy: 1.4297586707441508
Energy: 1.1568136407478422
Energy: 1.1340326806803958
Energy: 1.130698098181813
Energy: 1.1359357062401516
Energy: 1.1310212547022742
Energy: 1.3874390477168945
Energy: 1.5649932713994292
Energy: 1.6512623707024021
Energy: 1.1175467666425414
Energy: 1.1147839448084198
Energy: 1.1186909537454048
Energy: 1.6514839440601559
Energy: 1.1329089237655767
Energy: 1.6586099807501993
Energy: 1.3841134523712695
Energy: 1.443293107693952
Energy: 1.391090821445318
Energy: 1.3903953062698682
Energy: 1.1151374481171419
Energy: 1.1187858653011729
Energy: 1.6421534126642119
Energy: 1.0460599473607695
Energy: 1.6563302433917209
Energy: 1.118486855145727
Energy: 1.1307465603932418
Energy: 1.1322354245567547
Energy: 1.3862979125686625
Energy: 1.1478196059988373
Energy: 1.1342916491796142
Energy: 1.1315314506940384
Energy: 1.1346123072753767
Energy: 1.1307753191359995
Energy: 1.1336441432615016
Energy: 1.1148706742894094
Energy: 1.13179061375702
Energy: 1.1307952451064143
Energy: 1.1319512660754396
Energy: 1.133702541504788
Energy: 1.6497305226248105
Energy: 1.1311411239365965
Energy: 1.450586269845248
Energy: 1.1340389648782916
Energy: 1.174901099676804
Energy: 1.133810369665304
Energy: 1.4287555511882715
Energy: 1.1182949673276268
Energy: 1.444431937511418
Energy: 1.1320012957763559
Energy: 1.221645064206256
Energy: 1.4476045199852345
Energy: 1.302663206976399
Energy: 1.156769142230557
Energy: 1.3044102604594963
Energy: 1.4440898678567855
Energy: 1.1683181522114214
Energy: 1.3026514042907074
Energy: 1.4516701103051433
Energy: 1.1386243726228842
Energy: 1.326120066416146
Energy: 1.1336495647379135
Energy: 1.1713509368280117
Energy: 1.4437519573888467
Energy: 1.4480315146080174
Energy: 1.1352439228462854
Energy: 1.4436697035947517
Energy: 1.4297886527497012
Energy: 1.8974708125050828
Energy: 1.433408538415622
Energy: 1.179540981631879
Energy: 1.1805619557932738
Energy: 1.1354493232545475
Energy: 1.0408141206196426
Energy: 1.1884169432116847
Energy: 1.1198242195419554
Energy: 1.1326271405216228
Energy: 1.1403976368864268
Energy: 1.1330744915382218
Energy: 1.4311927373548499
Energy: 1.1792638955064147
Energy: 1.1328022621235654
Energy: 1.1304061277637667
Energy: 1.1334472105038444
Energy: 1.1307462363187257
Energy: 1.1627784614168641
Energy: 1.565933055372299
Energy: 1.3809927660290202
Energy: 1.1169555464621252
Energy: 1.1144940307532742
Energy: 1.118186309757889
Energy: 1.6516264835241425
Energy: 1.544244950920399
Energy: 1.6556012129325832
Energy: 1.384462601719062
Energy: 1.1686057659808655
Energy: 1.3853151392826881
Energy: 1.6529253064890852
Energy: 1.1160739853484816
Energy: 1.1195495031667708
Energy: 1.6448770332700022
Energy: 1.0457245805711144
Energy: 1.6554193739641596
Energy: 1.1185767410576302
Energy: 1.1328194780077812
Energy: 1.1330186569734033
Energy: 1.386250302192852
Energy: 1.1163651115201092
Energy: 1.1335942886534156
Energy: 1.1322061678177595
Energy: 1.1319219731440153
Energy: 1.130384819181626
Energy: 1.1323192364847603
Energy: 1.1147103211417158
Energy: 1.131566522210374
Energy: 1.1329326243183186
Energy: 1.1298239906976484
Energy: 1.1346668058721414
Energy: 1.6497979538942662
Energy: 1.3932774261037264
Energy: 1.1366630050751858
Energy: 1.1343212590958829
Energy: 1.1729913119114028
Energy: 1.133214786535054
Energy: 1.4445951703181474
Energy: 1.165683436775952
Energy: 1.4448921146542053
Energy: 1.1326293059859394
Energy: 1.2199944615657838
Energy: 1.4502739299528515
Energy: 1.3019054651015969
Energy: 1.1571564995115444
Energy: 1.306952882706524
Energy: 1.4439219452731769
Energy: 1.1687194114162196
Energy: 1.3260378599172955
Energy: 1.4441641806878942
Energy: 1.1376306164422918
Energy: 1.3255553690346844
Energy: 1.1328258614669693
Energy: 1.16955903056624
Energy: 1.4287279728129347
Energy: 1.4467806836815136
Energy: 1.1353268050304863
Energy: 1.44912099657404
Energy: 1.1167797633520973
Energy: 1.8977335670081728
Energy: 1.4302041087075945
Energy: 1.1794330637399215
Energy: 1.1684798271945118
Energy: 1.4483615363458917
Energy: 1.63806742880472

minimum gb energy = 1.0408141206196426 eV
minimum distance =  2.21596948316298 Angstroms
sigma value = 43


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

Energy: 1.2137904086318765
Energy: 1.1912767621224047
Energy: 1.1759996681286986
Energy: 1.1757732065117816
Energy: 1.1686763453337656
Energy: 1.6908092704355286
Energy: 1.2443691101784835
Energy: 1.1610274107083274
Energy: 1.1773772782234604
Energy: 1.1758383042931453
Energy: 1.1780402562528578
Energy: 1.1808230082861084
Energy: 1.4301873979186233
Energy: 1.17727444157118
Energy: 1.1761493976503141
Energy: 1.1755088326106822
Energy: 1.1767444388803856
Energy: 1.1048044090482374
Energy: 1.4611708944095063
Energy: 1.6468995174773493
Energy: 1.1759527704452926
Energy: 1.1591623959972788
Energy: 1.1667501346978926
Energy: 1.1036211917512697
Energy: 1.1610112147386464
Energy: 1.3868097417055762
Energy: 1.4085606198788816
Energy: 1.102129822335219
Energy: 1.642689915243517
Energy: 1.3913250782552982
Energy: 1.1043376595694225
Energy: 1.109523984594744
Energy: 1.6840729752387704
Energy: 1.1013802921609155
Energy: 1.3843677052269143
Energy: 1.104102763855554
Energy: 1.102765934720743
Energy: 1.104682379890597
Energy: 1.1046216420605812
Energy: 1.1593046669658695
Energy: 1.1040551088492467
Energy: 1.1038155313994455
Energy: 1.1027934083994706
Energy: 1.104199692110103
Energy: 1.1043276052436604
Energy: 1.1590535618065543
Energy: 1.1039185777178222
Energy: 1.103508344705986
Energy: 1.098566331054286
Energy: 1.108558773182062
Energy: 1.4092404292414742
Energy: 1.103769148737734
Energy: 1.4436078069572114
Energy: 1.0993847999373287
Energy: 1.5800460377054062
Energy: 1.3893911885363366
Energy: 1.408664359734259
Energy: 1.305775750225937
Energy: 1.4076794121402796
Energy: 1.104672476733769
Energy: 1.7633524796024087
Energy: 1.64588452557463
Energy: 1.173883876162432
Energy: 1.164330280408967
Energy: 1.1766974903835141
Energy: 1.1020787393921632
Energy: 1.4630653327480398
Energy: 1.1690547780398208
Energy: 1.1770107449545812
Energy: 1.17566220366805
Energy: 1.1776803351027925
Energy: 1.0998915227972155
Energy: 1.098642114823577
Energy: 1.1779741469782705
Energy: 1.1768688557606501
Energy: 1.1757666912174818
Energy: 1.177125835335207
Energy: 1.1721016006203102
Energy: 1.4916000615820735
Energy: 1.1638824199949924
Energy: 1.1687867387039217
Energy: 1.1686237967099864
Energy: 1.1751584674850213
Energy: 1.386449388622554
Energy: 1.1630535208423307
Energy: 1.1555817814113425
Energy: 1.1760091025219692
Energy: 1.1714606996683994
Energy: 1.1719096773398103
Energy: 1.163768264133964
Energy: 1.4636054947769477
Energy: 1.3737081898211205
Energy: 1.1767778209103996
Energy: 1.1759771068241305
Energy: 1.171967448540554
Energy: 1.173090165963992
Energy: 1.5087807652523881
Energy: 1.176691742717786
Energy: 1.1676984573348734
Energy: 1.4308910226559657
Energy: 1.3728872243794592
Energy: 1.1763972899973356
Energy: 1.4778856022885465
Energy: 1.1768094399480142
Energy: 1.172336554784155
Energy: 1.2434013567908067
Energy: 1.1728413077499207
Energy: 1.1763843882915763
Energy: 1.1757863801952513
Energy: 1.1745688595232637
Energy: 1.1913907780145023
Energy: 1.6908674505583876
Energy: 1.1639621529645676
Energy: 1.1760561335212156
Energy: 1.1755222864620585
Energy: 1.1777127730656334
Energy: 1.1721724456895692
Energy: 1.0987878913026725
Energy: 1.1782086270712266
Energy: 1.1773239196954954
Energy: 1.181669480618279
Energy: 1.1764194930794107
Energy: 1.2505016096403108
Energy: 1.429942594768948
Energy: 1.1776877796612624
Energy: 1.1760064227167581
Energy: 1.1589595288727086
Energy: 1.1640377746127126
Energy: 1.6499474561638547
Energy: 1.3875515542272452
Energy: 1.2350590501208631
Energy: 1.1644465202647993
Energy: 1.1021168728746065
Energy: 1.4084348473967208
Energy: 1.3873383586449584
Energy: 1.1610247758478889
Energy: 1.388299740987055
Energy: 1.231257338371871
Energy: 1.7601677525014583
Energy: 1.3846953023669635
Energy: 1.109415397880193
Energy: 1.1038030691610028
Energy: 1.1088282719219122
Energy: 1.6840924624161204
Energy: 1.1590109787936531
Energy: 1.1041181699461695
Energy: 1.1041107799590308
Energy: 1.1029363124302136
Energy: 1.1048794796534522
Energy: 1.2449916790499616
Energy: 1.1586377176985556
Energy: 1.1037797703503702
Energy: 1.103730292996509
Energy: 1.1029603597231723
Energy: 1.1044629551489584
Energy: 1.2321932653926937
Energy: 1.4925070200950976
Energy: 1.4093148873687291
Energy: 1.103633410575713
Energy: 1.1035714485609718
Energy: 1.1115641618214949
Energy: 1.1020665920002728
Energy: 1.397485064389627
Energy: 1.4083117338491231
Energy: 1.3895612681644516
Energy: 1.4817090683269485
Energy: 1.3872108870764095
Energy: 1.2326247884138066
Energy: 1.1641311461367605
Energy: 1.1739609482058828
Energy: 1.4268149120886462
Energy: 1.10224155545352
Energy: 1.4189650161951928
Energy: 1.1698578661305787
Energy: 1.1753753408442706
Energy: 1.1775107742224054
Energy: 1.2492991047162498
Energy: 1.4635359996685426
Energy: 1.1565665000581855
Energy: 1.1765726358788258
Energy: 1.175513883007918
Energy: 1.1770866558922761
Energy: 1.169989312804809
Energy: 1.0989258272031581
Energy: 1.1607654353001544
Energy: 1.1766784425953087
Energy: 1.1685113432278407
Energy: 1.1689857056676916
Energy: 1.381670817691353
Energy: 1.1017145172735654
Energy: 1.1649816334962557
Energy: 1.1696670042631392
Energy: 1.4799494536341615
Energy: 1.1716616301356746
Energy: 1.1559137520900595
Energy: 1.1751669784495735
Energy: 1.1557399204725958
Energy: 1.1764777523239072
Energy: 1.4775354532947054
Energy: 1.1807232805550842
Energy: 1.167869250547505
Energy: 1.4632034392471327
Energy: 1.3730351345424818
Energy: 1.17623593861233
Energy: 1.4308662919953332
Energy: 1.3569010068062008
Energy: 1.1768007165166168
Energy: 1.1760343547480865
Energy: 1.1773430368696205
Energy: 1.182027557866417
Energy: 1.2443691162570085
Energy: 1.155666859145764
Energy: 1.1767315053470837
Energy: 1.1760687470981774
Energy: 1.1772351168899815
Energy: 1.3740178274377286

minimum gb energy = 1.098566331054286 eV
minimum distance =  2.24046362507568 Angstroms
sigma value = 81


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

Energy: 1.145840886590244
Energy: 1.1459888320479008
Energy: 1.1525624396632292
Energy: 1.152789253082494
Energy: 1.3190687686855713
Energy: 1.1458305643010918
Energy: 1.1461709367199246
Energy: 1.1541321281397654
Energy: 1.1527588401176456
Energy: 1.15249011357422
Energy: 1.1531301536962368
Energy: 1.1529411657451771
Energy: 1.3191068681758895
Energy: 1.3184906261837188
Energy: 1.1528928804515461
Energy: 1.1521712503072432
Energy: 1.1525338319422738
Energy: 1.4933091093723474
Energy: 1.3189639390954668
Energy: 1.318051893228718
Energy: 1.153350315059876
Energy: 1.1524727218866786
Energy: 1.1525295393973216
Energy: 1.3178526680894496
Energy: 1.3180356018128998
Energy: 1.317727515380834
Energy: 1.152876392522423
Energy: 1.1459691939531695
Energy: 1.1525739998232574
Energy: 1.3184334386586987
Energy: 1.153381810339666
Energy: 1.1521046257922285
Energy: 1.14595173527821
Energy: 1.1461996499030325
Energy: 1.1522039145710983
Energy: 1.1535023726529525
Energy: 1.1525001363853336
Energy: 1.152638608585481
Energy: 1.3179491530752618
Energy: 1.1525867938252425
Energy: 1.1524758894511506
Energy: 1.1521496651982948
Energy: 1.1523771173556894
Energy: 1.152832988678954
Energy: 1.3184554065619007
Energy: 1.3173923873701665
Energy: 1.1526762886106248
Energy: 1.1528951414008612
Energy: 1.1530248253889182
Energy: 1.1525285408296235
Energy: 1.3183046251355017
Energy: 1.3190960121086046
Energy: 1.318574560863588
Energy: 1.1525060271024485
Energy: 1.14610053167088
Energy: 1.152448218992382
Energy: 1.3179886692004068
Energy: 1.31815758806751
Energy: 1.3196009280642194
Energy: 1.1527546233773116

minimum gb energy = 1.1458305643010918 eV
minimum distance =  2.24321415180837 Angstroms
sigma value = 3


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

Energy: 2.0949763649233355
Energy: 1.1373487819504935
Energy: 1.070264968844005
Energy: 1.070679717434031
Energy: 1.0936620129052703
Energy: 1.0878252542572804
Energy: 1.0595594514235311
Energy: 1.0718797681187182
Energy: 1.0758276207460933
Energy: 1.2832180695743767
Energy: 1.0759774976709415
Energy: 1.0711711147135063
Energy: 1.2741036548093043
Energy: 1.1918223201394942
Energy: 1.0760413187520854
Energy: 1.3295282443695553
Energy: 1.0759291174817818
Energy: 1.072202380342803
Energy: 1.3303323578099264
Energy: 1.075789127234245
Energy: 1.076045112562741
Energy: 1.2724512912612487
Energy: 1.1936702893028563
Energy: 1.3288095789496506
Energy: 1.2862532459967249
Energy: 1.075813095369707
Energy: 1.0713238248849861
Energy: 1.2621124499441452
Energy: 1.0761271677426958
Energy: 1.282669824049963
Energy: 1.070325328915424
Energy: 1.1397441217566704
Energy: 1.3337843719022726
Energy: 1.2117105234850145
Energy: 1.2872108661050625
Energy: 1.13979084047135
Energy: 1.4614367991437935
Energy: 1.0762271930555256
Energy: 1.1766346769276081
Energy: 1.0693689228811385
Energy: 1.3710467249369667
Energy: 1.2719146726764756
Energy: 1.4596481415268905
Energy: 1.0764530108196455
Energy: 1.0711261880494054
Energy: 1.0749144913536082
Energy: 1.069802092787222
Energy: 1.0759917457151869
Energy: 1.2817014876943411
Energy: 1.0701083444617514
Energy: 1.0743804725688015
Energy: 1.0770565526856486
Energy: 1.074317511554018
Energy: 1.4756448094357113
Energy: 1.268367735488876
Energy: 1.0696848802343057
Energy: 1.0755743429649185
Energy: 1.074674499129336
Energy: 1.0684883293415353
Energy: 1.0752203043732425
Energy: 1.4604430762560077
Energy: 1.3285160862375256
Energy: 1.0867967528981861
Energy: 1.0697748065149297
Energy: 1.0897769387964602
Energy: 1.2687833609162258
Energy: 1.0693204725390086
Energy: 1.0703786069013619
Energy: 1.0701227648041274
Energy: 1.4682555358694804
Energy: 1.3372620357493852
Energy: 1.1352508088869422
Energy: 1.0699968189642566
Energy: 1.0704026139484086
Energy: 1.3401037399313869
Energy: 1.468701338017916
Energy: 1.0702738514387407
Energy: 1.0701848085145367
Energy: 1.0753161662700108
Energy: 1.074176994946145
Energy: 1.0704721128702266
Energy: 1.6560989698714714
Energy: 1.0745683469219065
Energy: 1.0742988496148183
Energy: 1.074422682470834
Energy: 1.075145652750138
Energy: 1.345230183131083
Energy: 1.4768681154062393
Energy: 1.075713784362422
Energy: 1.0749291529176566
Energy: 1.0684553798258287
Energy: 1.0696683132096532
Energy: 1.346258357080161
Energy: 1.272170396224549
Energy: 1.346141561860466
Energy: 1.0691252362566548
Energy: 1.1066695558188504
Energy: 1.1985866666277978
Energy: 1.272111298777468
Energy: 1.1535972641236958
Energy: 1.072248886300703
Energy: 1.1865045821139426
Energy: 1.4166965911396272
Energy: 1.1914516213465882
Energy: 1.2724585385322278
Energy: 1.272827785684551
Energy: 1.0777207605801615
Energy: 1.191306869923298
Energy: 1.271485049479617
Energy: 1.1918288927164438
Energy: 1.283863145500648
Energy: 1.3290265813926019
Energy: 1.0756639768529284
Energy: 1.0701979818651726
Energy: 1.2832202769335341
Energy: 1.0743609206569436
Energy: 1.076836368662156
Energy: 1.2831113049274105
Energy: 1.215382808086043
Energy: 1.0757776458646597
Energy: 1.3275215384351697
Energy: 1.2835674402664958
Energy: 1.1916867247138203
Energy: 1.278847525749703
Energy: 1.2774159322320526
Energy: 1.2827772966484294
Energy: 1.0698303709058088
Energy: 1.2733203693342896
Energy: 1.471527230938094
Energy: 1.0660677730315253
Energy: 1.2731414145931472
Energy: 1.0698558076929023
Energy: 1.3038806137508063
Energy: 1.2725178784951054
Energy: 1.0750344560758782
Energy: 1.2618663727644706
Energy: 1.2018604011301661
Energy: 1.2718559765443551
Energy: 1.460079571651707
Energy: 1.2958505786507835
Energy: 1.0704063222528413
Energy: 1.070084937422089
Energy: 1.070462781171387
Energy: 1.5744854599847742
Energy: 1.4771846156045854
Energy: 1.075646633801219
Energy: 1.0746224294431963
Energy: 1.0745391212903814
Energy: 1.075384660332701
Energy: 1.2115504638256906
Energy: 1.2896380108971897
Energy: 1.075674012545977
Energy: 1.0745874681914456
Energy: 1.0744461648144112
Energy: 1.0757496536705808
Energy: 1.0700163291906701
Energy: 1.4379753557576314
Energy: 1.3370737347095882
Energy: 1.0690930833454562
Energy: 1.0684137465934214
Energy: 1.0896250362074966
Energy: 1.2745615284270781
Energy: 1.2675410356995147
Energy: 1.0690870727395487
Energy: 1.069322117314114
Energy: 1.4219896548064777
Energy: 1.3527103382249974
Energy: 1.0700882976769135
Energy: 1.069423394435886
Energy: 1.0698974707983886
Energy: 1.4931609023824315
Energy: 1.0870398663974163
Energy: 1.0897655977285172
Energy: 1.0693394410466837
Energy: 1.074429798316955
Energy: 1.07480323642218
Energy: 1.069229755057723
Energy: 1.4837383835236369
Energy: 1.0754327121311749
Energy: 1.074519873504288
Energy: 1.0745465453753953
Energy: 1.074642103903283
Energy: 1.2111175218576578
Energy: 1.47733738167996
Energy: 1.0704046778455498
Energy: 1.0744028721193883
Energy: 1.0704962890490672
Energy: 1.0702693108066597
Energy: 1.299843258198886
Energy: 1.3284141671716887
Energy: 1.296159351215626
Energy: 1.0701806303215673
Energy: 1.059741852521773
Energy: 1.0694466295154192
Energy: 1.0773378549732846
Energy: 1.3181404382334918
Energy: 1.0772726623744164
Energy: 1.186616478637806

minimum gb energy = 1.0595594514235311 eV
minimum distance =  2.26155132020568 Angstroms
sigma value = 67


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

Energy: 1.6441234221770276
Energy: 1.0358917213199774
Energy: 1.0031922508033164
Energy: 1.016112604896253
Energy: 1.014900524794053
Energy: 1.0362138596862387
Energy: 0.9989478560992614
Energy: 1.0932881723271335
Energy: 1.0051063963847615
Energy: 1.3298299630417383
Energy: 1.0035113966678668
Energy: 1.276877074569073
Energy: 1.3260506866606014
Energy: 1.0915724415525612
Energy: 1.0032804266173163
Energy: 1.3317713094084733
Energy: 1.0029115437117315
Energy: 1.002310272584367
Energy: 1.3268059179996086
Energy: 1.0027468389215712
Energy: 1.002858666624394
Energy: 1.2749900738296447
Energy: 1.0988534665660195
Energy: 1.3076162764003731
Energy: 1.3299392258616811
Energy: 1.271778473012661
Energy: 1.3257015792851599
Energy: 1.2572493511872986
Energy: 1.002932250912821
Energy: 1.3263082276975515
Energy: 1.30636022536446
Energy: 1.305290526396649
Energy: 1.3257104854036976
Energy: 1.3177856664978964
Energy: 1.2580549390605136
Energy: 1.3058720389573943
Energy: 1.639231543513263
Energy: 1.259912799752535
Energy: 1.0263252693639553
Energy: 1.0032295018201192
Energy: 1.3282117116303138
Energy: 1.2603134012132897
Energy: 1.6167017089888138
Energy: 1.003903168753024
Energy: 1.0032471128970213
Energy: 1.0027679890174352
Energy: 1.003589805889973
Energy: 1.2812200687253616
Energy: 1.5707953718378878
Energy: 1.0023003604324852
Energy: 1.001790117328368
Energy: 1.0042855505450665
Energy: 1.0019286200756705
Energy: 1.0507315781507798
Energy: 1.332310850844697
Energy: 1.0939212956370978
Energy: 1.0030302139228664
Energy: 1.0020857953270221
Energy: 1.0039076439146075
Energy: 1.1116008716092656
Energy: 1.3302186621228949
Energy: 1.0934719602657266
Energy: 1.0032350734470856
Energy: 1.0027088244930125
Energy: 1.0032721955083372
Energy: 1.0042368382746525
Energy: 1.052271851119157
Energy: 1.0031417916062195
Energy: 1.0852920251742801
Energy: 1.0092811662430425
Energy: 1.0831157156311897
Energy: 1.264022729306733
Energy: 1.0021343950703923
Energy: 1.0027998878311066
Energy: 1.0839778495380348
Energy: 1.0002720646262584
Energy: 1.0822615203014398
Energy: 1.2728608105911845
Energy: 1.3303914042733134
Energy: 1.00288439964609
Energy: 1.0811899599400945
Energy: 1.2635365811257322
Energy: 1.0838671640642097
Energy: 1.0060053520141894
Energy: 1.3298259327984263
Energy: 1.0036443125122048
Energy: 1.0028485560726004
Energy: 1.327829473670627
Energy: 1.094032163309177
Energy: 1.0026946665816237
Energy: 1.2664909974447898
Energy: 1.082312383047193
Energy: 1.3034913870588787
Energy: 1.3208571776566473
Energy: 1.3032192430041465
Energy: 1.0026803799973634
Energy: 1.2510861539823652
Energy: 1.0023393654559207
Energy: 1.2570538095468442
Energy: 1.0096876421102183
Energy: 1.2584762030772139
Energy: 1.0006431967905116
Energy: 1.2547033383466064
Energy: 1.0022136249685742
Energy: 1.257975272244759
Energy: 1.3451887813805552
Energy: 1.2579777854304046
Energy: 1.002606526067907
Energy: 1.00202264654622
Energy: 1.0042582154821398
Energy: 1.5876936717399532
Energy: 1.618349825220478
Energy: 1.0800491361135736
Energy: 1.002834475994542
Energy: 1.0021037514737985
Energy: 1.0030612353274628
Energy: 1.0037278641617804
Energy: 1.5750748164804789
Energy: 1.0037033632878947
Energy: 1.0025447916526988
Energy: 1.0055971372574406
Energy: 1.002128382164514
Energy: 1.0047927633712073
Energy: 1.5025190111763476
Energy: 1.0026607519608923
Energy: 1.0020813114901481
Energy: 1.003613550096026
Energy: 1.00353282895608
Energy: 1.095834480513264
Energy: 1.320769383760811
Energy: 1.0963813719176811
Energy: 1.0033364175214068
Energy: 0.9990672720635159
Energy: 1.0026020280748291
Energy: 1.3296346420188385
Energy: 1.3326190005171337
Energy: 1.0027365882908688
Energy: 1.279953389550359

minimum gb energy = 0.9989478560992614 eV
minimum distance =  2.2562516310592 Angstroms
sigma value = 33


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

Energy: 2.493088243883343
Energy: 1.2477015207885147
Energy: 1.3661756026458824
Energy: 1.3683664394804929
Energy: 1.3685282133018228
Energy: 0.9393326362625062
Energy: 1.0975255548658924
Energy: 1.2002662099809853
Energy: 1.526797021457031
Energy: 1.3768312907016687
Energy: 1.1945606016255623
Energy: 0.9281223606299556
Energy: 1.1140666671634816
Energy: 1.1057508001093947
Energy: 1.0277546358471676
Energy: 1.30239465278194
Energy: 1.0248326377310268
Energy: 1.1040530742300623
Energy: 1.1242739751365016
Energy: 1.1040122518755255
Energy: 1.0238955039038926
Energy: 1.3798199366072994
Energy: 1.030160889808438
Energy: 1.1256939126211303
Energy: 1.1265872586856553
Energy: 1.114574191173686
Energy: 1.1049177603743614
Energy: 1.0912170351538413
Energy: 1.1049868686136148
Energy: 1.1137547462073827
Energy: 0.9256573785767821
Energy: 0.9291189338508885
Energy: 1.0912080665887784
Energy: 1.3710789514655846
Energy: 1.0958487696846055
Energy: 0.9281045513026159
Energy: 0.9336964457093493
Energy: 1.1217652695530644
Energy: 0.9532286840364061
Energy: 0.9271631891995222
Energy: 1.1143789763795515
Energy: 1.2501038960622184
Energy: 0.9356108738554003
Energy: 1.0159457251224848
Energy: 1.1057602554679187
Energy: 1.105463854900859
Energy: 1.1077670678588143
Energy: 1.0207539925808908
Energy: 1.33840811654441
Energy: 0.9263104009141766
Energy: 1.1038533637871684
Energy: 1.1223880653081915
Energy: 1.105189999209572
Energy: 1.1186597579251454
Energy: 1.3792180946811525
Energy: 1.0242882883597937
Energy: 1.1042883350256938
Energy: 1.1253512003196584
Energy: 1.1066275816712
Energy: 1.0244320135082237
Energy: 1.3942118131936165
Energy: 1.0274835912846236
Energy: 0.9266780740175246
Energy: 1.095018320002245
Energy: 1.016914002883287
Energy: 1.418521159989728
Energy: 1.3898310346336176
Energy: 1.3753304206894856
Energy: 0.9273898532575825
Energy: 0.9312346915401499
Energy: 1.0278380502293871
Energy: 1.376716064727921
Energy: 1.1867054316549295
Energy: 1.349526461557962
Energy: 0.9261161667233028
Energy: 0.9406442884514492
Energy: 0.9284355354449594
Energy: 1.1856435694291314
Energy: 1.446536894683802
Energy: 1.4197852770492148
Energy: 0.9277221892373682
Energy: 0.9279502323636063
Energy: 0.9281206703279223
Energy: 1.6114240056173386
Energy: 1.4423059134100091
Energy: 0.9314266928871706
Energy: 0.9295736259287222
Energy: 0.9275481161723391
Energy: 0.9301985133522197
Energy: 1.0272799892887885
Energy: 1.4267091723576002
Energy: 0.9260609825252824
Energy: 0.9254736344867336
Energy: 0.9296673113221114
Energy: 0.9250498959151094
Energy: 1.360326656584743
Energy: 1.3493659472652824
Energy: 0.9291661955492587
Energy: 0.9260551682927194
Energy: 0.9273185673510128
Energy: 0.9283779136042467
Energy: 0.9293617959067484
Energy: 1.2013396981214421
Energy: 1.1956505927069714
Energy: 0.9282738868736743
Energy: 0.926213547420121
Energy: 0.9278535538265722
Energy: 1.5119557283117382
Energy: 1.22496222386892
Energy: 1.2222745349536464
Energy: 1.2480378077435867
Energy: 1.279884637431017
Energy: 1.1848458374250685
Energy: 1.2221761950476207
Energy: 1.3766266193053445
Energy: 1.5320654851140283
Energy: 1.1923714870390882
Energy: 1.0987949400176251
Energy: 1.0275480262091614
Energy: 1.3857813165333115
Energy: 1.3010938839800774
Energy: 1.027213102967216
Energy: 1.1044351680813134
Energy: 1.1145666232848626
Energy: 0.9311048706318393
Energy: 1.1975306450035113
Energy: 1.3810760959964474
Energy: 1.024202405928732
Energy: 1.1037296093532232
Energy: 1.1231765587569396
Energy: 1.1048074152640852
Energy: 1.1050657956603094
Energy: 1.0917155126693054
Energy: 1.1176869495611081
Energy: 1.1181875363841307
Energy: 1.1252404317032685
Energy: 1.121119531599316
Energy: 1.104355086838883
Energy: 1.1967093713504158
Energy: 0.930834922015552
Energy: 1.0912837292278128
Energy: 1.0973384804127437
Energy: 1.0914366608823873
Energy: 1.326743050679487
Energy: 0.9272408802758558
Energy: 1.0921843406738594
Energy: 1.0954778066283337
Energy: 0.9394611549862453
Energy: 1.1066120765033118
Energy: 1.3106623022831203
Energy: 1.11057818180702
Energy: 1.0953098850768135
Energy: 0.9250546562254253
Energy: 1.4430662697993129
Energy: 1.113532720607346
Energy: 1.097580213875912
Energy: 1.1222702847402777
Energy: 1.1045507839704416
Energy: 1.0165164289123443
Energy: 1.3359195973966191
Energy: 1.1185748507894362
Energy: 1.103208469885852
Energy: 1.123263740770345
Energy: 1.1046420974087787
Energy: 1.0246993044316957
Energy: 1.396345240658612
Energy: 1.0287344458754686
Energy: 1.1033148000324624
Energy: 1.1063161474877738
Energy: 0.9272913289339125
Energy: 1.408050756668129
Energy: 1.3828569427380162
Energy: 1.0289386710408865
Energy: 1.1085331617861303
Energy: 0.9383212297181374
Energy: 0.9281901818328543
Energy: 1.3783934355862026
Energy: 1.3931169185540067
Energy: 1.4135975589921788
Energy: 1.0239895466763993
Energy: 1.1048841539392105
Energy: 0.9265732994906976
Energy: 1.1853269010936065
Energy: 1.227101073035956
Energy: 1.199876473368847
Energy: 1.3490039848656257
Energy: 0.9284178258138617
Energy: 0.9289004194521726
Energy: 1.5180113638415118
Energy: 1.4411243632917614
Energy: 1.0273628640645558
Energy: 0.9287614109238256
Energy: 0.9246224321202995
Energy: 0.9302000834719989
Energy: 1.1656514700433616
Energy: 1.4406123652385143
Energy: 0.9303277385209233
Energy: 0.9293957822118164
Energy: 0.9274947996044788
Energy: 0.9249045659663845
Energy: 0.925807722482804
Energy: 1.4530713961574684
Energy: 0.9253183406279628
Energy: 0.9256468640357697
Energy: 0.9261208088854103
Energy: 0.931637833360829
Energy: 0.9290508460201429
Energy: 1.239694644014451
Energy: 0.9279515840263768
Energy: 0.9305995572331438
Energy: 0.926143719412658
Energy: 0.9306101207838108
Energy: 1.5330348828372813
Energy: 1.2015054900479394
Energy: 1.0250678486719929
Energy: 0.9285543992392038
Energy: 0.9345603849825134
Energy: 1.1769333598297373
Energy: 1.2251162790291115
Energy: 1.226374106341904
Energy: 1.1851032904642909
Energy: 1.1859840233447065

minimum gb energy = 0.9246224321202995 eV
minimum distance =  2.21626349266774 Angstroms
sigma value = 41


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

Energy: 1.8916731746624391
Energy: 0.7269812558512256
Energy: 1.0960660795785142
Energy: 1.0919656450473887
Energy: 1.0951719176890669
Energy: 1.5496078214555244
Energy: 1.420126855137152
Energy: 0.8081152379587693
Energy: 0.8010367012247568
Energy: 1.100378765949829
Energy: 0.8065613483774892
Energy: 1.0985281170307815
Energy: 1.0950630438458817
Energy: 0.8095156428681414
Energy: 0.8012548016272751
Energy: 0.7353646334667354
Energy: 0.8076370129695568
Energy: 1.098775770860642
Energy: 1.0993000877098202
Energy: 0.8074377111242862
Energy: 0.8005094296043821
Energy: 1.0967437475154136
Energy: 0.8077115627294994
Energy: 1.101682268440621
Energy: 1.0972586407137364
Energy: 1.101837921700815
Energy: 0.8022662910514271
Energy: 1.0985751207340868
Energy: 0.8052985783696613
Energy: 1.1012725851859426
Energy: 1.1005154705990687
Energy: 1.094521247719357
Energy: 1.0960738070396545
Energy: 1.0698198527416196
Energy: 1.0962802520775567
Energy: 1.09603955476835
Energy: 1.4380189633288676
Energy: 1.107102301504437
Energy: 0.8006315066144988
Energy: 1.1049444130095696
Energy: 0.8083698472754449
Energy: 1.1472734456560507
Energy: 1.4404650167772994
Energy: 0.8080069781061383
Energy: 1.0980968743353445
Energy: 1.1067220978857761
Energy: 0.8067242335446294
Energy: 1.1528174613776516
Energy: 1.1074476252431256
Energy: 0.8060542086116466
Energy: 0.8009973901482528
Energy: 0.7350153662922383
Energy: 0.8068649388528247
Energy: 1.0979258817945354
Energy: 1.099453659259604
Energy: 0.8091169034353897
Energy: 0.8014270739720497
Energy: 1.0993916662455332
Energy: 0.8074537699616463
Energy: 0.7999418336058095
Energy: 1.1007030543157275
Energy: 1.1022204782558358
Energy: 0.8002252555200025
Energy: 1.1040728974963325
Energy: 0.8085869517136043
Energy: 1.1009319744052515
Energy: 1.106062280794607
Energy: 1.0989793564732049
Energy: 0.8011077101190188
Energy: 1.069253737997025
Energy: 0.8047676978980037
Energy: 1.098461241988801
Energy: 1.1089106070904637
Energy: 1.0993234041334083
Energy: 0.8011151606115994
Energy: 1.0955421580690887
Energy: 0.8047540148437028
Energy: 1.0965481071112406
Energy: 1.4380613962839117
Energy: 1.105376129133164
Energy: 1.0949603747965309
Energy: 1.1047546735348057
Energy: 0.8076912579660571
Energy: 1.152295538323378

minimum gb energy = 0.7269812558512256 eV
minimum distance =  2.29544656424353 Angstroms
sigma value = 11


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

Energy: 1.1841224351039303
Energy: 1.0825766844074691
Energy: 1.0846728536593855
Energy: 1.219961731018684
Energy: 1.0844187495597362
Energy: 1.0893144498270155
Energy: 1.0773272243883887
Energy: 1.1784277522774511
Energy: 1.0822267584874352
Energy: 1.2162094330745108
Energy: 1.179352823713677
Energy: 1.108408094097186
Energy: 1.0905804371100376
Energy: 1.0900242941600085
Energy: 1.3579833550693576
Energy: 1.079855736874285
Energy: 1.0918380401613936
Energy: 1.0901215393388537
Energy: 1.091144242744116
Energy: 1.0912939225825544
Energy: 1.0919366874912635
Energy: 1.0850264263688543
Energy: 1.0917089752268048
Energy: 1.090931970683093
Energy: 1.0918948212002966
Energy: 1.0907998569964128
Energy: 1.1789377957993916
Energy: 1.0833152050631307
Energy: 1.0923569667733644
Energy: 1.091040064101569
Energy: 1.0894170294525445
Energy: 1.1100959396819223
Energy: 1.1778530773734461
Energy: 1.0820249260572825
Energy: 1.1914735389962419
Energy: 1.0902150425191555
Energy: 1.2071159016019497
Energy: 1.0930165477456577
Energy: 1.0826963440955122
Energy: 1.0837967960117896
Energy: 1.0823621051533334
Energy: 1.1726575800948575
Energy: 1.2066287956475632
Energy: 1.0923495395902318
Energy: 1.0852563094068306
Energy: 1.0917624589983748
Energy: 1.0915359998156482
Energy: 1.0770479017941406
Energy: 1.0926851561842352
Energy: 1.0907962249271164
Energy: 1.282680551726363
Energy: 1.078923713260085
Energy: 1.0910266173416792
Energy: 1.0899111187025148
Energy: 1.091666007710124
Energy: 1.0911102882062547
Energy: 1.1788182412276722
Energy: 1.0790747589673784
Energy: 1.0913852322153663
Energy: 1.0911895666562097
Energy: 1.0926954942073117
Energy: 1.0917111783557523
Energy: 1.19118347412514
Energy: 1.0933723018873198
Energy: 1.1921995469590856
Energy: 1.0924424575767135
Energy: 1.0924726621868257
Energy: 1.1771870307196142
Energy: 1.2830760404091612
Energy: 1.0928104810097827
Energy: 1.180890607975594
Energy: 1.21069843358873
Energy: 1.0937125237521126
Energy: 1.1932697482677819
Energy: 1.0912732515348398
Energy: 1.092810852579456
Energy: 1.0929357053287438
Energy: 1.0914099726735051
Energy: 1.076714974803377
Energy: 1.0915315092796423
Energy: 1.0911272952677076
Energy: 1.0904597971321874
Energy: 1.091664654110724
Energy: 1.0916081184006379
Energy: 1.084120598691385
Energy: 1.1789897983987327
Energy: 1.108206500648838
Energy: 1.0929946291795458
Energy: 1.0924449054584995
Energy: 1.2099642622532205
Energy: 1.219752833002227
Energy: 1.084044792714753
Energy: 1.0829134860778953
Energy: 1.0743133371919955
Energy: 1.092245354640382
Energy: 1.2159319018795085
Energy: 1.0824288264636923
Energy: 1.082598297918407
Energy: 1.1082905178168323
Energy: 1.0774856843650649
Energy: 1.1773026972262337
Energy: 1.08555535187827
Energy: 1.0802121720705165
Energy: 1.0904681751766874
Energy: 1.0898885539738519
Energy: 1.0903483075929883
Energy: 1.0906093559691308
Energy: 1.0783959712514049
Energy: 1.0839401591955231
Energy: 1.0915460107545323
Energy: 1.1085809679208658
Energy: 1.1101193936773752
Energy: 1.0927397005516912
Energy: 1.0819193109200294
Energy: 1.083015962761895
Energy: 1.0921574425525715
Energy: 1.0906843329129712
Energy: 1.090906138108086
Energy: 1.0912406568243458
Energy: 1.1777733540648827
Energy: 1.0831493063732593
Energy: 1.1914686250694424
Energy: 1.0898461674445414
Energy: 1.0905163833313998
Energy: 1.0906246995428948
Energy: 1.1778041684169174
Energy: 1.083849807999738
Energy: 1.082261169839503
Energy: 1.092680136961055
Energy: 1.2066109432352874
Energy: 1.177295235509225
Energy: 1.0823536531709652
Energy: 1.0916960234528141
Energy: 1.084704684573197
Energy: 1.2841482759408558
Energy: 1.0850582051016404
Energy: 1.0824558854068114
Energy: 1.0920981293057919
Energy: 1.0796266840884712
Energy: 1.1924229654158285
Energy: 1.0911399752189441
Energy: 1.093105157431314
Energy: 1.0916308061911206
Energy: 1.1723800328005416
Energy: 1.079153555813157
Energy: 1.091735627185774
Energy: 1.0910455117185984
Energy: 1.0936527422293598
Energy: 1.0913233366445019
Energy: 1.1721121495104092
Energy: 1.0935743678605285
Energy: 1.1914893750922289
Energy: 1.2109153999349076
Energy: 1.0925989005161993
Energy: 1.092236093075213
Energy: 1.091460861762944
Energy: 1.091964602249111
Energy: 1.092775268382558
Energy: 1.2092346447190578
Energy: 1.0919284610000275
Energy: 1.1807961827180073
Energy: 1.2835484441662344
Energy: 1.092962147743541
Energy: 1.0909693393424147
Energy: 1.191613728504266
Energy: 1.0937440993965417
Energy: 1.1910217630023037
Energy: 1.0911485536009233
Energy: 1.0938290183887591
Energy: 1.0913608369778454
Energy: 1.0915821313259424
Energy: 1.0768911862029729
Energy: 1.09155690509227
Energy: 1.0907217893137675
Energy: 1.0935442662132904
Energy: 1.1078499530208767
Energy: 1.0823018157300086
Energy: 1.0840826498505132
Energy: 1.3615317596791443
Energy: 1.09060295473356
Energy: 1.0742236594825287
Energy: 1.1909582994435866
Energy: 1.216113264557557
Energy: 1.216222891549096
Energy: 1.0913179465365548
Energy: 1.0802698570363847

minimum gb energy = 1.0742236594825287 eV
minimum distance =  2.23107983569601 Angstroms
sigma value = 57


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

Energy: 2.3910221227361754
Energy: 1.2340064523069731
Energy: 1.2308886517180837
Energy: 1.2306830008669822
Energy: 1.2306006973799852
Energy: 1.2336308720811946
Energy: 1.2508605959448174
Energy: 1.2664810861754328
Energy: 1.394913702568744
Energy: 1.2303724293667093
Energy: 1.265854482549779
Energy: 1.190972455113127
Energy: 1.1903950013987656
Energy: 1.1908510662545475
Energy: 1.2661293991833256
Energy: 1.1736737310335001
Energy: 1.26612358860584
Energy: 1.1912259731218138
Energy: 1.1911365385201964
Energy: 1.1913804397444954
Energy: 1.3947590072366156
Energy: 1.190981625407008
Energy: 1.191445050793122
Energy: 1.1918727870771355
Energy: 1.191444808699684
Energy: 1.1911797796880663
Energy: 1.3958316199301575
Energy: 1.2306713326231475
Energy: 1.2662798896361795
Energy: 1.1915955118530512
Energy: 1.190626038854968
Energy: 1.2666165247483265
Energy: 1.2660642123523869
Energy: 1.230976087563528
Energy: 1.3221714289657556
Energy: 1.1917247202146755
Energy: 1.2255926796862766
Energy: 1.265969760289928
Energy: 1.230791707007995
Energy: 1.2319382402966428
Energy: 1.1910872137789175
Energy: 1.394436060526081
Energy: 1.225260294608836
Energy: 1.2659517464740189
Energy: 1.2317412640460386
Energy: 1.2306219734625148
Energy: 1.2489360952964959
Energy: 1.3955780145458805
Energy: 1.2302925872272792
Energy: 1.1912390431612503
Energy: 1.1740443626749044
Energy: 1.2509650788619073
Energy: 1.2658627787182257
Energy: 1.191626670207491
Energy: 1.2300980019283532
Energy: 1.396285999608144
Energy: 1.1740618368114986
Energy: 1.2510254672367953
Energy: 1.2658167744167492
Energy: 1.1913186865016252
Energy: 1.1734177282437221
Energy: 1.2662835556788012
Energy: 1.1918419830805795
Energy: 1.1903426025638348
Energy: 1.3448177539417894
Energy: 1.2652561379492788
Energy: 1.173358187870104
Energy: 1.267928112574093
Energy: 1.1912830080929133
Energy: 1.1912577195075658
Energy: 1.1911765463100878
Energy: 1.3941241794449597
Energy: 1.192938188637717
Energy: 1.1917739092103263
Energy: 1.1913710628426126
Energy: 1.1911618952888192
Energy: 1.1913146589278119
Energy: 1.1911487416895994
Energy: 1.2309203868749037
Energy: 1.2657159162879976
Energy: 1.191079964726206
Energy: 1.190777821253611
Energy: 1.191318999048431
Energy: 1.2667399269002122
Energy: 1.2316253082445385
Energy: 1.3972224559177884
Energy: 1.2657639493890376
Energy: 1.190990332140296
Energy: 1.266550208679161
Energy: 1.191606132384841
Energy: 1.2305632573265164
Energy: 1.2309306248451428
Energy: 1.1902645838594177
Energy: 1.2256716774446863
Energy: 1.2299596905083252
Energy: 1.2308389613768052
Energy: 1.2507489175095226
Energy: 1.191345510042737
Energy: 1.3946978595730957
Energy: 1.2311681980585516
Energy: 1.2659225659882531
Energy: 1.23072659763783

minimum gb energy = 1.173358187870104 eV
minimum distance =  2.24108922075034 Angstroms
sigma value = 9


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

Energy: 2.634732068442414
Energy: 1.3114785256601715
Energy: 1.2942737785035991
Energy: 1.2957789295132467
Energy: 1.2941768710856911
Energy: 1.3113307085218393
Energy: 1.3486832158668727
Energy: 1.319577154088434
Energy: 1.317619521760069
Energy: 1.3143446291401266
Energy: 1.319600792642746
Energy: 1.2946713503999603
Energy: 1.3109893022161523
Energy: 1.3126683799264012
Energy: 1.6102974647729837
Energy: 1.2732763114218963
Energy: 1.3128224713441081
Energy: 1.3120267301723858
Energy: 1.3107512327256576
Energy: 1.3127910101465823
Energy: 1.4501602550868398
Energy: 1.3077355772686015
Energy: 1.5716081804943884
Energy: 1.3125364954027854
Energy: 1.312283563661671
Energy: 1.411841855792705
Energy: 1.4495334575996506
Energy: 1.3148914578392745
Energy: 1.4127827430295754
Energy: 1.3121596273581093
Energy: 1.3001793262806072
Energy: 1.4503698589375273
Energy: 1.311348638849556
Energy: 1.3110461406585963
Energy: 1.4938683622050815
Energy: 1.2986845776858595
Energy: 1.31429455495229
Energy: 1.312900902633291
Energy: 1.3131101683273287
Energy: 1.3125703529295312
Energy: 1.312446574144575
Energy: 1.3078653746057176
Energy: 1.3142306652434594
Energy: 1.3388516822510759
Energy: 1.3654215694436158
Energy: 1.2924252454559555
Energy: 1.53083225961959
Energy: 1.3074667688980681
Energy: 1.3138236318835974
Energy: 1.3145510443514923
Energy: 1.356783723409582
Energy: 1.3129565029720174
Energy: 1.32003501823439
Energy: 1.3139490593291545
Energy: 1.293803417507099
Energy: 1.3716417310935616
Energy: 1.3122905233087394
Energy: 1.3127463972229074
Energy: 1.3200265024284759
Energy: 1.3709744773223347
Energy: 1.3340465753127535
Energy: 1.3576656779252922
Energy: 1.2949400107568474
Energy: 1.2938962466656034
Energy: 1.2927888954632367
Energy: 1.2745245246178853
Energy: 1.3342701409397637
Energy: 1.3575259050992026
Energy: 1.3193152252906106
Energy: 1.315913230337559
Energy: 1.320334156913188
Energy: 1.3392392812403313
Energy: 1.2926103732347871
Energy: 1.3723175070117946
Energy: 1.3392362778217974
Energy: 1.2731272944585872
Energy: 1.4765265588531902
Energy: 1.2931734364998928
Energy: 1.313384807067793
Energy: 1.3131552409410256
Energy: 1.4507557982482384
Energy: 1.2728824499625266
Energy: 1.3144530403774526
Energy: 1.3139615901252055
Energy: 1.3109397923536998
Energy: 1.4952475712957864
Energy: 1.4495694537153272
Energy: 1.3124192392652791
Energy: 1.4491505040506534
Energy: 1.292986266736636
Energy: 1.3115503376758688
Energy: 1.4508996260519982
Energy: 1.4950522423944053
Energy: 1.293171310583844
Energy: 1.4169586546346313
Energy: 1.3120901192421806
Energy: 1.3136453822129177
Energy: 1.4519568247062384
Energy: 1.3132881124550224
Energy: 1.3125374218639456
Energy: 1.314048863785061
Energy: 1.2939861192842088
Energy: 1.313936281703385
Energy: 1.4764245436979748
Energy: 1.293243521158095
Energy: 1.2924912723561872
Energy: 1.2941563408267962
Energy: 1.4765157044656352
Energy: 1.3141652464637945
Energy: 1.309492559572422
Energy: 1.3192782592619348
Energy: 1.3706816375256938
Energy: 1.3573611206416643
Energy: 1.3149541718242652
Energy: 1.293660904920218
Energy: 1.2940891933778886
Energy: 1.3220707278048671
Energy: 1.3064374844016011
Energy: 1.2934257597850858
Energy: 1.2939579778742103
Energy: 1.3345649528905097
Energy: 1.3194875609051908
Energy: 1.3715478089169681
Energy: 1.2937872784780742
Energy: 1.3198866348822644
Energy: 1.3146305595775953

minimum gb energy = 1.2728824499625266 eV
minimum distance =  2.26110866792364 Angstroms
sigma value = 27


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

Energy: 1.3786204078520976
Energy: 1.3030705504376965
Energy: 1.3366624325607819
Energy: 1.33709822158605
Energy: 1.3365933095828395
Energy: 1.3022402596674216
Energy: 1.2976803524857377
Energy: 1.326568177303498
Energy: 1.3620270084341253
Energy: 1.359398219842039
Energy: 1.3621944312077352
Energy: 1.3657204762637978
Energy: 1.2987648910007663
Energy: 1.298722108661454
Energy: 1.280452813064479
Energy: 1.2812933345398776
Energy: 1.351366492017317
Energy: 1.2991446862377813
Energy: 1.310612892477293
Energy: 1.3109496488702044
Energy: 1.344065827433733
Energy: 1.3296882471303229
Energy: 1.3335333703897896
Energy: 1.310912501891497
Energy: 1.2974624118171685
Energy: 1.476155734584796
Energy: 1.3296163298015637
Energy: 1.3300065227323945
Energy: 1.4569228687636302
Energy: 1.5911279120493982
Energy: 1.3050738522797025
Energy: 1.3029926155851423
Energy: 1.3296570513367254
Energy: 1.3306226595900412
Energy: 1.442264318991001
Energy: 1.303262755378012
Energy: 1.2795835109687892
Energy: 1.4151444091261844
Energy: 1.4155039436583519
Energy: 1.3769231186302915
Energy: 1.452984546369327
Energy: 1.2908865123207405
Energy: 1.2791957788477883
Energy: 1.5065591545595953
Energy: 1.332490053195051
Energy: 1.3289947929710346
Energy: 1.3292772367801775
Energy: 1.279547165573953
Energy: 1.3068899373685916
Energy: 1.3055482140020147
Energy: 1.356791864169881
Energy: 1.3467798396296615
Energy: 1.3566501700366367
Energy: 1.30582340231589
Energy: 1.278970283974455
Energy: 1.346527899193696
Energy: 1.3169536268918338
Energy: 1.3469536459587033
Energy: 1.3060838202494207
Energy: 1.3460237384479012
Energy: 1.3079441263479135
Energy: 1.3412650157830641
Energy: 1.347590616488084
Energy: 1.356575292792872
Energy: 1.347412405901414
Energy: 1.329692956904996
Energy: 1.3590090350268105
Energy: 1.4944778772420733
Energy: 1.3535619180859355
Energy: 1.3522628674915977
Energy: 1.2652016399316959
Energy: 1.2848378345615799
Energy: 1.279429536600988
Energy: 1.34552841690202
Energy: 1.2849285863149604
Energy: 1.2641074537260357
Energy: 1.3457318869070236
Energy: 1.28064639530387
Energy: 1.3022766859518355
Energy: 1.3164332801723357
Energy: 1.2657731316663243
Energy: 1.344522977521634
Energy: 1.2650004385755933
Energy: 1.31622444198705
Energy: 1.2808436139293318
Energy: 1.265517748625362
Energy: 1.3136258450508067
Energy: 1.3156089710401468
Energy: 1.3135897426973009
Energy: 1.2978010540847793
Energy: 1.3285641858173358
Energy: 1.2656601758304213
Energy: 1.307298115357448
Energy: 1.307836028115009
Energy: 1.3069965698551667
Energy: 1.2647031457998898
Energy: 1.2788755531628777
Energy: 1.2791333153784625
Energy: 1.4117891203169208
Energy: 1.2991009618169724
Energy: 1.4751050353788928
Energy: 1.2792808574663475
Energy: 1.279935595633474
Energy: 1.4666456837506634
Energy: 1.3248445219515923
Energy: 1.3067407516729692
Energy: 1.4657177105710948
Energy: 1.4652873950458163
Energy: 1.2811443493851422
Energy: 1.2796828681951187
Energy: 1.3237129551791977
Energy: 1.338355312057036
Energy: 1.4539238555579135
Energy: 1.2796230003913778
Energy: 1.2804160542949177
Energy: 1.3104896236589183
Energy: 1.601580458407473
Energy: 1.3193809161633332
Energy: 1.4363048252209856
Energy: 1.3193054568496894
Energy: 1.3605506851929734
Energy: 1.3106988929777226
Energy: 1.3387995322746773
Energy: 1.3394989744900119
Energy: 1.3389741216402142
Energy: 1.3117847330427665
Energy: 1.2969969066506342
Energy: 1.5464518976518284
Energy: 1.3200874435004657
Energy: 1.3192540676434883
Energy: 1.3725274383033625
Energy: 1.4082743495002819
Energy: 1.354447278435942
Energy: 1.355396335994701
Energy: 1.3562003330057912
Energy: 1.3553487922656864
Energy: 1.3114356779210046
Energy: 1.355132884214356
Energy: 1.3414565430038157
Energy: 1.3761331804394004
Energy: 1.3080232644828824
Energy: 1.2803230180241485
Energy: 1.3370634879328338
Energy: 1.3760082272612586
Energy: 1.3372300464028133
Energy: 1.3298477257156214
Energy: 1.384089826213366
Energy: 1.3363479989916367
Energy: 1.3382465634271181
Energy: 1.3387448333787524

minimum gb energy = 1.2641074537260357 eV
minimum distance =  2.25536569891432 Angstroms
sigma value = 19


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

Energy: 1.4825436944207717
Energy: 1.2773350377263695
Energy: 1.3066835499377942
Energy: 1.306776200395435
Energy: 1.306884741051245
Energy: 1.2941604564172413
Energy: 1.2767999690565897
Energy: 1.2841598859868026
Energy: 1.3211951053759832
Energy: 1.3208439041109592
Energy: 1.3058946676781658
Energy: 1.322965692742317
Energy: 1.2723279851547642
Energy: 1.2763325352157826
Energy: 1.2680081679509962
Energy: 1.2576580092162353
Energy: 1.2728790916817667
Energy: 1.277198027125808
Energy: 1.2842342647771812
Energy: 1.2734291230939196
Energy: 1.308870757581498
Energy: 1.28131145646745
Energy: 1.2976318405238894
Energy: 1.2732918526267145
Energy: 1.2694444416245405
Energy: 1.3727932105866898
Energy: 1.2958530763497023
Energy: 1.2736135052600415
Energy: 1.3906441296949432
Energy: 1.4404409029668745
Energy: 1.2762029276987115
Energy: 1.2814123615752182
Energy: 1.2960008737229352
Energy: 1.2966216317736579
Energy: 1.3720426005985862
Energy: 1.27672959201389
Energy: 1.2930795412486635
Energy: 1.461882929008658
Energy: 1.4839939264650974
Energy: 1.420072500293176
Energy: 1.4897600931282053
Energy: 1.433041303434618
Energy: 1.29327606744986
Energy: 1.4385763534116627
Energy: 1.2736108858142094
Energy: 1.2751664571980017
Energy: 1.2959538139806699
Energy: 1.2813955544088453
Energy: 1.3225845834730736
Energy: 1.340920530388435
Energy: 1.3423551706595465
Energy: 1.2593778153532063
Energy: 1.3417039860959417
Energy: 1.3406364353782412
Energy: 1.293129339382185
Energy: 1.2812381045083892
Energy: 1.2699427120982447
Energy: 1.269757761727856
Energy: 1.3410985681325152
Energy: 1.2815471717893558
Energy: 1.270406094630009
Energy: 1.3050766258195956
Energy: 1.2743395572048466
Energy: 1.269401149177051
Energy: 1.2753348371774527
Energy: 1.304378410095622
Energy: 1.31140292411464
Energy: 1.2747354207409105
Energy: 1.324423596030242
Energy: 1.2588624728090194
Energy: 1.3030250744221354
Energy: 1.312336494101697
Energy: 1.31222245064897
Energy: 1.3115430092783822
Energy: 1.275409064605947
Energy: 1.257103229111525
Energy: 1.3077949513354066
Energy: 1.311470713298563
Energy: 1.314878690001466
Energy: 1.285485360816602
Energy: 1.2530073485470319
Energy: 1.302263782363197
Energy: 1.3075867850938674
Energy: 1.3122843858343278
Energy: 1.2519272396235188
Energy: 1.2536832015664578
Energy: 1.324270285841918
Energy: 1.258869535940006
Energy: 1.3245460208912294
Energy: 1.2599872235038405
Energy: 1.3158814531154641
Energy: 1.4609922328038596
Energy: 1.2774214310383059
Energy: 1.258914917812898
Energy: 1.2534019837565331
Energy: 1.2759882835113623
Energy: 1.2761585296344873
Energy: 1.2739404079078371
Energy: 1.2749555736755196
Energy: 1.2610344330100378
Energy: 1.2469584284389135
Energy: 1.2758860065546154
Energy: 1.2767815892158856
Energy: 1.2765145314589903
Energy: 1.25335648776385
Energy: 1.2899213907018556
Energy: 1.2916026776497704
Energy: 1.2768573875474074
Energy: 1.2693664338570132
Energy: 1.4305527955968675
Energy: 1.2765421342262202
Energy: 1.276234856544567
Energy: 1.277993095929224
Energy: 1.4184525043435587
Energy: 1.2762424506029806
Energy: 1.291213810101734
Energy: 1.3787426216021688
Energy: 1.2785213464689544
Energy: 1.3796407320351831
Energy: 1.2914986704073423
Energy: 1.2829030786515028
Energy: 1.2910333681705612
Energy: 1.499624505623093
Energy: 1.2591283389374728
Energy: 1.4976411842584443
Energy: 1.2911879324227407
Energy: 1.283707693477915
Energy: 1.4733000583006277
Energy: 1.2958497118828627
Energy: 1.2887862461928985
Energy: 1.2963285959570887
Energy: 1.466037009037454
Energy: 1.2908902574985297
Energy: 1.3686951643413485
Energy: 1.2739201085191658
Energy: 1.270500366799698
Energy: 1.3690757052921434
Energy: 1.2914774569741068
Energy: 1.2838111264784433
Energy: 1.2834951128093999
Energy: 1.6001079533214055
Energy: 1.270305207444251
Energy: 1.5996293007842093
Energy: 1.2832500258035424
Energy: 1.3230486962751629
Energy: 1.2912640599151912
Energy: 1.2737750144521243
Energy: 1.2739043924082687
Energy: 1.291625245429957
Energy: 1.2837794469000088
Energy: 1.2703806908746729
Energy: 1.2705925406998457
Energy: 1.348453884569335
Energy: 1.2706229872705321
Energy: 1.3476689216574032
Energy: 1.5026195891551486
Energy: 1.3088178699448467
Energy: 1.2839469248838005
Energy: 1.3062974315330045
Energy: 1.2696697709963631
Energy: 1.283431361924433
Energy: 1.3086498998054148
Energy: 1.3083579250698776
Energy: 1.3313771295450463
Energy: 1.2619629981192677
Energy: 1.2571541073182155
Energy: 1.2824710415570688
Energy: 1.3314156122818959
Energy: 1.260970506498009
Energy: 1.2820755833330273
Energy: 1.3470093419912927
Energy: 1.3069068983083416
Energy: 1.3458562051335987
Energy: 1.3107767194984348

minimum gb energy = 1.2469584284389135 eV
minimum distance =  2.24960127468855 Angstroms
sigma value = 101


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

Energy: 1.3269024393210407
Energy: 1.216148874694801
Energy: 1.2607569122412294
Energy: 1.2616661841968906
Energy: 1.2607829129186643
Energy: 1.6669704425926324
Energy: 1.255670950262642
Energy: 1.2320505164806395
Energy: 1.2551557256334585
Energy: 1.2711465108372935
Energy: 1.2324886923174807
Energy: 1.2726991181736944
Energy: 1.2253069788844324
Energy: 1.2269583497919707
Energy: 1.2168316118978557
Energy: 1.2161510492872203
Energy: 1.2256273608030572
Energy: 1.2271462117777878
Energy: 1.2255578999417343
Energy: 1.2270399280895423
Energy: 1.270922703722632
Energy: 1.2319233624793513
Energy: 1.2226067732406694
Energy: 1.2248546586836262
Energy: 1.215682930203423
Energy: 1.2201042552395607
Energy: 1.2230658046719276
Energy: 1.2205601707836071
Energy: 1.2232945636448433
Energy: 1.477519210045737
Energy: 1.225921801747309
Energy: 1.2254812760227414
Energy: 1.2214981623366155
Energy: 1.2203139173100488
Energy: 1.2204093929120725
Energy: 1.2277809028869537
Energy: 1.2261893947663347
Energy: 1.3435074615610452
Energy: 1.4140514097889036
Energy: 1.4465969681336517
Energy: 1.4113179368300164
Energy: 1.344949281202864
Energy: 1.2267188314376811
Energy: 1.3392698182638196
Energy: 1.2203356768039981
Energy: 1.2218502923633017
Energy: 1.2205688762088491
Energy: 1.225469323256829
Energy: 1.227316439820521
Energy: 1.397294721588294
Energy: 1.4087806440974506
Energy: 1.220501601591763
Energy: 1.4092450661228362
Energy: 1.3390148357799312
Energy: 1.2278603481992973
Energy: 1.225411589566517
Energy: 1.2210827780424167
Energy: 1.2201724958577773
Energy: 1.4131566530754005
Energy: 1.22726138488238
Energy: 1.2250319036136623
Energy: 1.2239105408757638
Energy: 1.2217963044543105
Energy: 1.2231920139744954
Energy: 1.2232385533803973
Energy: 1.2232217842071063
Energy: 1.2248790509047323
Energy: 1.2228013176725898
Energy: 1.26367345308897
Energy: 1.219900251476551
Energy: 1.22271441588877
Energy: 1.226197790063811
Energy: 1.22627029429596
Energy: 1.2268807678685554
Energy: 1.225332059947759
Energy: 1.2225152387233105
Energy: 1.2269697169114389
Energy: 1.2267144891909891
Energy: 1.22468000348474
Energy: 1.3107108453810175
Energy: 1.2548187144531515
Energy: 1.2225020639239523
Energy: 1.2253686186033128
Energy: 1.3116616577998534
Energy: 1.2242043593514378
Energy: 1.2318535966251964
Energy: 1.260239922824397
Energy: 1.261684346482674
Energy: 1.2604926848787605
Energy: 1.2230166649657666
Energy: 1.2538712472309503
Energy: 1.2312311522731674
Energy: 1.305052305876828
Energy: 1.2611035938321802
Energy: 1.2314363929769374
Energy: 1.261279006431772
Energy: 1.2610525337918426
Energy: 1.2730641386333603
Energy: 1.229408991957196
Energy: 1.22756787851761
Energy: 1.2726664538391077
Energy: 1.2617732573188214
Energy: 1.2601531700263355
Energy: 1.2319756153621126
Energy: 1.2550842074189805
Energy: 1.2309828394203024
Energy: 1.2314544413681285
Energy: 1.233351708776388
Energy: 1.228718826329384
Energy: 1.2726351024445501
Energy: 1.294498887433264
Energy: 1.2248126748652717
Energy: 1.2747450705331345
Energy: 1.2166656855145646
Energy: 1.229952609058091
Energy: 1.2270342925188131
Energy: 1.2277058599893174
Energy: 1.2262774521500004
Energy: 1.2269295358284462
Energy: 1.2712863268990688
Energy: 1.219903168472211
Energy: 1.2223062139232714
Energy: 1.573617070367282
Energy: 1.2167068647397237
Energy: 1.2238826821905235
Energy: 1.2227080024290138
Energy: 1.2203621017011397
Energy: 1.2209546735058106
Energy: 1.2272893027302445
Energy: 1.2567620417803893
Energy: 1.221182551943801
Energy: 1.2205298429546254
Energy: 1.231997691363515
Energy: 1.4468553310913381
Energy: 1.2249837222146762
Energy: 1.2262195131018478
Energy: 1.4090274012889783
Energy: 1.447044923664965
Energy: 1.2203519893274866
Energy: 1.22125535695767
Energy: 1.3390782110131279
Energy: 1.225559623161669
Energy: 1.403353481321654
Energy: 1.2216208799111883
Energy: 1.219823162144199
Energy: 1.4095790745230001
Energy: 1.339029122621236
Energy: 1.2273024192616997
Energy: 1.4055761301214431
Energy: 1.2217964991304988
Energy: 1.2202567848769528
Energy: 1.4472295243798297
Energy: 1.225551183512802
Energy: 1.2275503687801015
Energy: 1.2252519792263812
Energy: 1.447341148653424
Energy: 1.2207236291958206
Energy: 1.2244220115733773
Energy: 1.3327463589550548
Energy: 1.224983314573371
Energy: 1.220081276084058
Energy: 1.2204412109587348
Energy: 1.2199309581297992
Energy: 1.2459495793611264
Energy: 1.5740265512324416
Energy: 1.2250822203748795
Energy: 1.5733506113634588
Energy: 1.2214433144402757
Energy: 1.222352756402847
Energy: 1.2271328505219272
Energy: 1.2268106750320462
Energy: 1.226457896701511
Energy: 1.2272581152690563
Energy: 1.2321801471213394
Energy: 1.2223766655101627
Energy: 1.2254080549797504
Energy: 1.3105908932703543
Energy: 1.224965854632898
Energy: 1.3102278939480336
Energy: 1.225235452669853
Energy: 1.2608677922260212
Energy: 1.2610526495299053
Energy: 1.2637541766241602
Energy: 1.2245313127459188
Energy: 1.2318795838562222
Energy: 1.2603956879524738
Energy: 1.261127218091897
Energy: 1.3050391701334805
Energy: 1.2255399392513664
Energy: 1.2243621793569333
Energy: 1.231864967912866
Energy: 1.3047594966720986
Energy: 1.2286889511820056
Energy: 1.231474678542761
Energy: 1.2733392923824902
Energy: 1.2610927118904545
Energy: 1.2728243946336126
Energy: 1.2163876595114942

minimum gb energy = 1.215682930203423 eV
minimum distance =  2.24161728645707 Angstroms
sigma value = 33


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

Energy: 0.01504995323341752
Energy: 0.015814108281466947
Energy: 0.11989984395772675
Energy: 0.12111122927250276
Energy: 0.12114203484222888
Energy: 0.015494142586674036
Energy: 0.01543460096884611
Energy: 0.11214351498925232
Energy: 0.11209989620462797
Energy: 0.11297491053783643
Energy: 0.11211077501327031
Energy: 0.11219603307351295
Energy: 1.1115707957924188
Energy: 0.11959254202152987
Energy: 0.015553557873526774
Energy: 0.016898751633437445
Energy: 0.12024550065450769
Energy: 0.11964565074230973
Energy: 0.11217169161995894
Energy: 0.11214351498925232
Energy: 0.11209989620462797
Energy: 0.11297491053783643
Energy: 0.11211077501259688
Energy: 0.11219603307279988

minimum gb energy = 0.01504995323341752 eV
minimum distance =  2.44356227840826 Angstroms
sigma value = 1