Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Pb__MO_019208265157_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.9497474655508995
cohesive_energy=2.0401604561541418
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.63225969563092e-20, 9.06032488703634e-20, 1.197364276947024e-19, 1.45190848749714e-19, 1.6774789357979998e-19, 1.87901673458886e-19, 2.05990247656746e-19, 2.22266760081552e-19, 2.36923471929384e-19, 2.5011579433373995e-19, 2.61967094895438e-19, 2.72583117272322e-19, 2.82050379002628e-19, 2.90447386741422e-19, 2.9783982973069797e-19, 3.04282181976012e-19, 3.0982891748292e-19, 3.1452329502053997e-19, 3.1840857335798996e-19, 3.2151839820458395e-19, 3.2388801744626997e-19, 3.2554627026245995e-19, 3.2652359800919994e-19, 3.26844033336e-19, 3.2649636100642196e-19, 3.2536522430281796e-19, 3.2329841644495798e-19, 3.20111687119932e-19, 3.15587140305516e-19, 3.0945881468046595e-19, 3.0139986621144597e-19, 2.91016159446492e-19, 2.7782063268886794e-19, 2.6120606099428797e-19, 2.40424227874674e-19, 2.1452984911596596e-19, 1.82326098772566e-19, 1.422864229475988e-19, 9.244206699320519e-20, 3.02260235063904e-20, -4.77543165353406e-20, -1.4603423452985158e-19, -2.70774259852536e-19, -4.3049044196609397e-19, -6.37179238635264e-19, -9.08131340094174e-19, -1.268903065831758e-18, -1.75843692111402e-18, -2.4382244451538796e-18, -3.4096241383480796e-18, -4.84876327807224e-18, -7.0825820282604e-18, -1.0772555034025798e-17, -1.7421748282789198e-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: 0.00474860871881958
Energy: 0.005479139075061655
Energy: 0.035092594003332936
Energy: 0.03503054059506088
Energy: 0.0058866228739384765
Energy: 0.005129495981044864
Energy: 0.03443708217334267
Energy: 0.03510592467815245
Energy: 0.03490740080723742
Energy: 0.0056318155304274685
Energy: 0.0050824229124004664
Energy: 0.03442038681398973
Energy: 0.03450773303435702
Energy: 0.18739702828399174
Energy: 0.03546117897695757
Energy: 0.03457467159016788
Energy: 0.0344579287915793
Energy: 0.03445282900839447
Energy: 0.1869434369396393
Energy: 0.035198570606053095
Energy: 0.03558946557647526
Energy: 0.006853528350806043
Energy: 0.004815276648536502
Energy: 0.03454489815159104
Energy: 0.18713323746365332
Energy: 0.03532828235404087
Energy: 0.005303839774174959
Energy: 0.0047848458488987935
Energy: 0.034416197801459825
Energy: 0.18928440981136424
Energy: 0.03450589949371972
Energy: 0.00507054890644619
Energy: 0.008270430276713992
Energy: 0.03500956121808028
Energy: 0.034595864491379635
Energy: 0.03502627409827128
Energy: 0.005448368892264942
Energy: 0.0052953405934850865
Energy: 0.034958582485151386
Energy: 0.03439138624898059
Energy: 0.034609809864783694
Energy: 0.034828216005922966
Energy: 0.03561649004155452
Energy: 0.007148689263327799
Energy: 0.005031703642210872
Energy: 0.18992438969964837
Energy: 0.03507534000512222
Energy: 0.03542913608005033
Energy: 0.0069666654138687435
Energy: 0.03506164735394686
Energy: 0.035659508233728404
Energy: 0.18634219672537633
Energy: 0.03495349159601927
Energy: 0.0056575407294721615
Energy: 0.00704386185050721
Energy: 0.034929595475015965
Energy: 0.18580750716713096
Energy: 0.035132376348297564
Energy: 0.005428709929700061
Energy: 0.0070791156582198905
Energy: 0.004954555801727979
Energy: 0.03605659177404532
Energy: 0.1878123280173051
Energy: 0.03475601856873966
Energy: 0.035689533529279456
Energy: 0.004987172818542309
Energy: 0.035972263441028746
Energy: 0.03440840255970764
Energy: 0.035006375742474394
Energy: 0.03569581719876707

minimum gb energy = 0.00474860871881958 eV
minimum distance =  3.45163984509254 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.33411360854008226
Energy: 0.2818265662566231
Energy: 0.278736063140547
Energy: 0.27813526306343717
Energy: 0.2856158137912886
Energy: 0.29771164474766554
Energy: 0.28553236807885557
Energy: 0.2773927450795069
Energy: 0.273008364661301
Energy: 0.279022529578523
Energy: 0.26191413068356806
Energy: 0.318106478357567
Energy: 0.274156584023141
Energy: 0.2516682278021004
Energy: 0.2332391768706199
Energy: 0.23317001456130113
Energy: 0.3358570335967266
Energy: 0.2809048835669617
Energy: 0.26019293431336205
Energy: 0.28860208444568314
Energy: 0.2782579484851662
Energy: 0.31641057698442915
Energy: 0.4080765949186888
Energy: 0.25573692649177987
Energy: 0.2718779747925619
Energy: 0.23266256891599205
Energy: 0.3009029870234705
Energy: 0.4110337047689109
Energy: 0.2625964343981704
Energy: 0.2814145706990056
Energy: 0.26094466532679306
Energy: 0.27291906341928657
Energy: 0.3228985144833583
Energy: 0.2630305293541546
Energy: 0.2722625493040414
Energy: 0.23345885917865622
Energy: 0.2801190227540516
Energy: 0.322446252093277
Energy: 0.2968947803715457
Energy: 0.28160117245537375
Energy: 0.2983537827037321
Energy: 0.2850119506614573
Energy: 0.29259614225361835
Energy: 0.335217840820634
Energy: 0.2702000339031473
Energy: 0.3075894848735747
Energy: 0.2837084331523703
Energy: 0.2888834296452923
Energy: 0.3138446879298809
Energy: 0.2548684315130392
Energy: 0.29653326064713215
Energy: 0.3364826267230883
Energy: 0.29772409472251415
Energy: 0.2620559798516519
Energy: 0.3194186614011844
Energy: 0.29868143110218837
Energy: 0.316344947828119
Energy: 0.26447643662406495
Energy: 0.2876866940133934
Energy: 0.2851038891432908
Energy: 0.2787685998593378
Energy: 0.3265507931356803
Energy: 0.3014525241731221
Energy: 0.29420221929232854
Energy: 0.282737615788887
Energy: 0.27845506265815856
Energy: 0.33911478010735846
Energy: 0.31188834458152487
Energy: 0.29422377647553455
Energy: 0.27767632997243985
Energy: 0.28474186976013527
Energy: 0.2863023248201589
Energy: 0.2933743430694356
Energy: 0.2896590052587471
Energy: 0.2775251044226182
Energy: 0.2822749010921857
Energy: 0.28536091136215463
Energy: 0.3177251623919313
Energy: 0.2858951847070813
Energy: 0.2804732413837512
Energy: 0.28027333845915786
Energy: 0.25969550120681945
Energy: 0.2889735542001239
Energy: 0.31655439991765943
Energy: 0.2741424894485084
Energy: 0.28392290452234936
Energy: 0.2563308355008575
Energy: 0.30922704094846043
Energy: 0.3397829127943858
Energy: 0.2748483263511581
Energy: 0.315950247734994
Energy: 0.27509736967977017
Energy: 0.25995285423437897
Energy: 0.31210812789841735
Energy: 0.3367084963976421
Energy: 0.28981630555213594
Energy: 0.28010635176148735
Energy: 0.2616623052590676
Energy: 0.27914235715531477
Energy: 0.31712324227409405
Energy: 0.31153288223538955
Energy: 0.2626691084336016
Energy: 0.27690299295233495
Energy: 0.2608183919755149
Energy: 0.299422387936128
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Energy: 0.26376062510899895
Energy: 0.2797854918170411
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Energy: 0.3131764371158274
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Energy: 0.26409104441688747
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Energy: 0.23347693045512452
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Energy: 0.30580458064089494
Energy: 0.32128764984371927
Energy: 0.2730592775543512
Energy: 0.33101755656062826
Energy: 0.2977945800986822
Energy: 0.3371312906511066
Energy: 0.2879813026833506
Energy: 0.23277386839558523
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Energy: 0.3357295459780986
Energy: 0.299046386271569
Energy: 0.2950704807207316
Energy: 0.28395413415354687
Energy: 0.29032013381717886
Energy: 0.30376961473782094
Energy: 0.29886191066764767
Energy: 0.2917083200209372
Energy: 0.26761176503291284
Energy: 0.277978024363831
Energy: 0.304105065003477
Energy: 0.30049767758103196
Energy: 0.33453790470050127
Energy: 0.27613462521745885
Energy: 0.278941305154879
Energy: 0.2867139502743818
Energy: 0.2854275417038407
Energy: 0.29820336009470133
Energy: 0.28535098039986406
Energy: 0.2788238238025772
Energy: 0.27298860677851394
Energy: 0.2773696951400626
Energy: 0.2619718111022968
Energy: 0.3194973863860918
Energy: 0.27355737451252043
Energy: 0.27743603827496705
Energy: 0.23354895783899712
Energy: 0.29133523684504736
Energy: 0.3373051455504489
Energy: 0.2845135026598181
Energy: 0.2599195654407354
Energy: 0.2616362689699162
Energy: 0.27912163544534974
Energy: 0.31808021392076885
Energy: 0.3068924045450791
Energy: 0.25382103785071286
Energy: 0.2713336568788634
Energy: 0.23349121915463392
Energy: 0.3386986023700811
Energy: 0.2572491262126177
Energy: 0.26914889929442154
Energy: 0.28190907558635253
Energy: 0.2835054988156591
Energy: 0.25545946656419116
Energy: 0.3219754260211582
Energy: 0.26548563333807146
Energy: 0.2572079723973115
Energy: 0.23456729453356465
Energy: 0.2611108221153227
Energy: 0.336993772019813
Energy: 0.29661752964305704
Energy: 0.25715261917908355
Energy: 0.2990607419006599
Energy: 0.27542857154622463
Energy: 0.2939823106145697
Energy: 0.3061844247716018
Energy: 0.263664718602875
Energy: 0.30723785716051827
Energy: 0.2745135144624809
Energy: 0.2890280458167215
Energy: 0.3147622165406908
Energy: 0.2546359094647905
Energy: 0.29868817112007195
Energy: 0.3356036986490692
Energy: 0.29790425920786057
Energy: 0.2828458050942748
Energy: 0.34032832772895716
Energy: 0.29853550738724993
Energy: 0.3368737884683837
Energy: 0.2941524798333119
Energy: 0.290783277886975
Energy: 0.30190882760729715
Energy: 0.2782213477349802
Energy: 0.3380965705275788
Energy: 0.3069739222085696
Energy: 0.2937382459826027
Energy: 0.28304868878272155
Energy: 0.2993543546265225
Energy: 0.28588076410719543
Energy: 0.2664423778179866
Energy: 0.29366737460542447
Energy: 0.30628492900754495
Energy: 0.2840189454114745
Energy: 0.2834089930297213
Energy: 0.3256427791689291
Energy: 0.26970599247376703
Energy: 0.2783778886496765
Energy: 0.28095131231914394
Energy: 0.2840435587362605
Energy: 0.29230186493669524
Energy: 0.2700545555344989
Energy: 0.28140269215702907
Energy: 0.27872322617784345
Energy: 0.2592194332274486
Energy: 0.3094907671492756
Energy: 0.3276291043049556
Energy: 0.27399896701375737
Energy: 0.27890813070284115
Energy: 0.2559733114750895
Energy: 0.3101912325927425
Energy: 0.33222745619100524
Energy: 0.27435816859462453
Energy: 0.2738715317098031
Energy: 0.27512382574201155
Energy: 0.2606356973990124
Energy: 0.297672392514092
Energy: 0.32224113559289347
Energy: 0.25849790038665704
Energy: 0.2802977419818894
Energy: 0.2724766749012087
Energy: 0.2672382646011195
Energy: 0.3236430460081858
Energy: 0.29514907102267157
Energy: 0.2624092926959022
Energy: 0.27970179268168455
Energy: 0.260174684539541
Energy: 0.29731086074719104
Energy: 0.26766467250511006
Energy: 0.2632486969621722
Energy: 0.2796792478367414
Energy: 0.26387576117760747
Energy: 0.31754520391786206
Energy: 0.30051076977857877
Energy: 0.28981498927153815
Energy: 0.269522283541733
Energy: 0.29985466438864466
Energy: 0.27235572484129283
Energy: 0.2791042306652975
Energy: 0.23324396630007127
Energy: 0.2753394919142526
Energy: 0.30501001448724524
Energy: 0.30787715228014634
Energy: 0.27408702556553316
Energy: 0.29005020744225674
Energy: 0.30126687840562627
Energy: 0.3364657423717908
Energy: 0.29846872601713453
Energy: 0.23277921471291446
Energy: 0.28098653049261507
Energy: 0.2898791437619795
Energy: 0.3353546206218485
Energy: 0.29864092756353355
Energy: 0.2936555766403738
Energy: 0.28229084436138124
Energy: 0.3019830126339708
Energy: 0.298967521975892
Energy: 0.29867794915615337
Energy: 0.2917691681468537
Energy: 0.2526795982164908
Energy: 0.27814424086777817
Energy: 0.30475636834895914
Energy: 0.31268695169901856
Energy: 0.33535030446848846
Energy: 0.25182588530465766
Energy: 0.2794128018273092
Energy: 0.28531560423086705
Energy: 0.2849253644211124
Energy: 0.2988982862982829
Energy: 0.28960155653590774
Energy: 0.27826633180656235
Energy: 0.2732935429189897
Energy: 0.27749862547454635

minimum gb energy = 0.23266256891599205 eV
minimum distance =  3.17345201275801 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.4650162468772926
Energy: 0.2925013676049159
Energy: 0.2695398906648379
Energy: 0.27633679176061854
Energy: 0.294634255991672
Energy: 0.4535997091707396
Energy: 0.299487529412181
Energy: 0.27362983448966194
Energy: 0.27381837766745487
Energy: 0.2938011610154987
Energy: 0.2943190344899381
Energy: 0.28612455686696714
Energy: 0.27167899056783534
Energy: 0.2762980579510747
Energy: 0.2732132013071555
Energy: 0.29875703056063785
Energy: 0.27672915071764825
Energy: 0.27439586545260386
Energy: 0.27596102051225924
Energy: 0.27001063598700614
Energy: 0.2918336170597545
Energy: 0.3408776011974621
Energy: 0.3400712144794616
Energy: 0.27926702367818346
Energy: 0.2746121344736997
Energy: 0.2843279251368708
Energy: 0.3403742420220583
Energy: 0.34010908389793704
Energy: 0.2790212334704915
Energy: 0.29572703218519636
Energy: 0.28408956339802566
Energy: 0.27387728555865026
Energy: 0.28153017102248035
Energy: 0.2798438678380046
Energy: 0.29429972622252565
Energy: 0.2840347132000443
Energy: 0.27621878429887764
Energy: 0.27591803136046433
Energy: 0.2746650128362936
Energy: 0.29558246357784745
Energy: 0.2804112676264079
Energy: 0.29045084386484565
Energy: 0.2936296192520245
Energy: 0.2826147991409237
Energy: 0.27231886869293975
Energy: 0.27603373565337586
Energy: 0.289967961144658
Energy: 0.29385035503703044
Energy: 0.3172890425957495
Energy: 0.26833768537773967
Energy: 0.27002514281469214
Energy: 0.3164499322917021
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Energy: 0.27425564984544915
Energy: 0.2699077231994804
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Energy: 0.29417866730350106
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Energy: 0.2788222152066006
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Energy: 0.27388275218568886
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Energy: 0.34000771624230813
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Energy: 0.2962699771000016
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Energy: 0.2752648149661535
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Energy: 0.2753081565088131
Energy: 0.27299109096162005
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Energy: 0.2913446059218623
Energy: 0.27681568984936206
Energy: 0.2746260146719638
Energy: 0.27042200694856927
Energy: 0.2843979859277297
Energy: 0.2630587207836201
Energy: 0.316231034849849
Energy: 0.2743459034071872
Energy: 0.27895997356735774
Energy: 0.27811921895700437
Energy: 0.28128284492929656
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Energy: 0.27476155769747856
Energy: 0.2857920513031629
Energy: 0.2886054803923352
Energy: 0.3008382697092722
Energy: 0.2769220019481459
Energy: 0.2819276820128363
Energy: 0.2940955605721406
Energy: 0.3038786023814773
Energy: 0.3399957357278679
Energy: 0.2903259780296893
Energy: 0.2840686078467776
Energy: 0.29404265225070025
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Energy: 0.3411350568185974
Energy: 0.3090614686987551
Energy: 0.27653026714142065
Energy: 0.2868502924431099
Energy: 0.28031934392794794
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Energy: 0.278089159342669
Energy: 0.2766725698091947
Energy: 0.27995697858400254
Energy: 0.28662408815449625
Energy: 0.2672917610583529
Energy: 0.31677639220645415
Energy: 0.29671857601857315
Energy: 0.28673395447204514
Energy: 0.27120164397738133
Energy: 0.29414006915223934
Energy: 0.3184490913475367
Energy: 0.2922386725653227
Energy: 0.2766832709002513
Energy: 0.27185500995041384
Energy: 0.29534528471118404
Energy: 0.3154170794609764
Energy: 0.2722495939936858
Energy: 0.2918978863685371
Energy: 0.28022270275146327
Energy: 0.2635437849206697
Energy: 0.31469750416472936
Energy: 0.2719905320750619
Energy: 0.29678692026139236
Energy: 0.2783701199716179
Energy: 0.26359090116479067
Energy: 0.27516661927811825
Energy: 0.2707952113333333
Energy: 0.2898422322856069
Energy: 0.28206145442508335
Energy: 0.2673091742813089
Energy: 0.2745331532295787
Energy: 0.2706775675737975
Energy: 0.2877896047949353
Energy: 0.2774879947937933
Energy: 0.26404710765121603
Energy: 0.27796149980087687
Energy: 0.29434202732141296
Energy: 0.29393810703388684
Energy: 0.28393350077646995
Energy: 0.3412338955806592
Energy: 0.2813289240876111
Energy: 0.2941821378098626
Energy: 0.2939902364484586
Energy: 0.28304892047455465
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minimum gb energy = 0.2630587207836201 eV
minimum distance =  3.1454471598046 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.2766810463916559
Energy: 0.2811565126267753
Energy: 0.2795441413777341
Energy: 0.37349300187576623
Energy: 0.31933720420379946
Energy: 0.2781302100489478
Energy: 0.2785644687674718
Energy: 0.27573054343502945
Energy: 0.2833021755277539
Energy: 0.2778650729622273
Energy: 0.29412618552520475
Energy: 0.2815869657869215
Energy: 0.2765087740671824
Energy: 0.2859465581321615
Energy: 0.28135166205003115
Energy: 0.27845198978400115
Energy: 0.2913441518672739
Energy: 0.27901101901883346
Energy: 0.2721852185891548
Energy: 0.2885126653976192
Energy: 0.299616367002399
Energy: 0.28974252948362383
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Energy: 0.2740809910036911
Energy: 0.2901896736864052
Energy: 0.2995424306640943
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Energy: 0.2798422622387229
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Energy: 0.27490612220104294
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Energy: 0.2816431400397079
Energy: 0.275662899145709
Energy: 0.29463693664829976
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Energy: 0.28405336026556993
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Energy: 0.2723276296858705
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Energy: 0.2773085348485906
Energy: 0.28614517942469075
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Energy: 0.33019837763311716
Energy: 0.3196136947694675
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Energy: 0.31847871565377067
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Energy: 0.2801009595562498
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Energy: 0.2714334251038753
Energy: 0.27491767020971314
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Energy: 0.27446720622308896
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Energy: 0.27380916318701704
Energy: 0.308488449982989
Energy: 0.2896231320386594
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Energy: 0.2845286271808901
Energy: 0.2728083994161879
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Energy: 0.2849580340894309
Energy: 0.2764898502303623
Energy: 0.2754264100683674
Energy: 0.33048270011541697
Energy: 0.28716746595088827
Energy: 0.2819227308857681
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Energy: 0.2757433716937522
Energy: 0.3533802599254138
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Energy: 0.3048838434800577
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Energy: 0.2749694365403944
Energy: 0.28789153111292803
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Energy: 0.27522530825456043
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Energy: 0.2897243421472118
Energy: 0.38550350979672887
Energy: 0.29527138057241803
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Energy: 0.2942847706219855
Energy: 0.28258046128987346
Energy: 0.38560909848425007
Energy: 0.2924064488806048
Energy: 0.29036058298893874
Energy: 0.29131117380151234
Energy: 0.2800530741860483
Energy: 0.2774531531770709
Energy: 0.2770201663521027
Energy: 0.2958078349055954
Energy: 0.28894841158049234
Energy: 0.2759566286561263
Energy: 0.27333104636788097
Energy: 0.2753400689249581
Energy: 0.29070952879785694
Energy: 0.2790623816930732
Energy: 0.27540013081934994
Energy: 0.2743882505984343
Energy: 0.286825559374264
Energy: 0.2980578261399771
Energy: 0.278653675149085
Energy: 0.2716571481869202
Energy: 0.27182543207945625
Energy: 0.28998380671569673
Energy: 0.2898912712372777
Energy: 0.2753618805240397
Energy: 0.28766383744011165
Energy: 0.28535450759275977
Energy: 0.2767949652415802
Energy: 0.2719119710733975
Energy: 0.2719850041631888
Energy: 0.29310591840772204
Energy: 0.2793910983137395
Energy: 0.2746571788342419
Energy: 0.27455465197334006
Energy: 0.27404413743858413
Energy: 0.2714898646893227
Energy: 0.29397045828365725
Energy: 0.28642037430684836
Energy: 0.27183804848895493
Energy: 0.27221782090671315
Energy: 0.29272612063851855
Energy: 0.288817223502652
Energy: 0.28854520979018
Energy: 0.2742407171135462
Energy: 0.27417370695650756
Energy: 0.29301387614153257
Energy: 0.2809698490650911
Energy: 0.31464650660008403
Energy: 0.29880553672954235
Energy: 0.3143607713790787
Energy: 0.298291789983603
Energy: 0.27890716212699496
Energy: 0.31376866010022125
Energy: 0.3057146435924836
Energy: 0.31454881563610393
Energy: 0.3022848993318013
Energy: 0.27456547458968594
Energy: 0.2808262508472263
Energy: 0.28958454607812883
Energy: 0.28223367373901675
Energy: 0.26881705027086134
Energy: 0.2725822154410615
Energy: 0.27701372100554106
Energy: 0.27574053124485054
Energy: 0.282991899577534
Energy: 0.2746678060722018
Energy: 0.29219757254725365
Energy: 0.2752637075036153
Energy: 0.2782509257979794
Energy: 0.2746734033818255
Energy: 0.2669349852707352
Energy: 0.28745267017655596
Energy: 0.27308760039997904
Energy: 0.27344519234758197
Energy: 0.27697492050188144
Energy: 0.2853019210675969

minimum gb energy = 0.2669349852707352 eV
minimum distance =  3.13451436580566 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.31736753869344725
Energy: 0.26019468615189306
Energy: 0.2557346039748523
Energy: 0.26098011742606186
Energy: 0.2789931320134596
Energy: 0.2969991704977186
Energy: 0.260875501257815
Energy: 0.27802092447626287
Energy: 0.2650330954978925
Energy: 0.28488940834622567
Energy: 0.29318844631104035
Energy: 0.27735966650228183
Energy: 0.260243904621169
Energy: 0.26041628350161045
Energy: 0.261636656592401
Energy: 0.259902474437397
Energy: 0.26443253778983244
Energy: 0.2619372566800307
Energy: 0.26648041396558975
Energy: 0.27009203239860435
Energy: 0.2686422682519361
Energy: 0.2597227817732334
Energy: 0.2823462990175012
Energy: 0.26965063242455084
Energy: 0.26365213764381124
Energy: 0.2802606909341629
Energy: 0.2596607066538336
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Energy: 0.27696029327361127
Energy: 0.26370480837257143
Energy: 0.31457134281637944
Energy: 0.27384151095922993
Energy: 0.2768634399390835
Energy: 0.2768372620517444
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Energy: 0.2964114424764045
Energy: 0.2720782433260058
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Energy: 0.2687858173544093
Energy: 0.31978106742941365
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Energy: 0.26413373356443265
Energy: 0.2701727540814347
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Energy: 0.26871247203983295
Energy: 0.2613258657918733
Energy: 0.2635790737773076
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Energy: 0.26777998627220473
Energy: 0.27131150603760645
Energy: 0.27314309356153904
Energy: 0.3979564436946405
Energy: 0.27691600226789875
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Energy: 0.2732667794182317
Energy: 0.3984865326034697
Energy: 0.2739818857866622
Energy: 0.26002525902095686
Energy: 0.27566325413519827
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Energy: 0.29715905652169733
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Energy: 0.29086885675240276
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Energy: 0.25260570271334976
Energy: 0.2791742039281532
Energy: 0.2603694483780359
Energy: 0.27460429420432575
Energy: 0.2735377697587671
Energy: 0.2733611235880386
Energy: 0.25304102864877387
Energy: 0.27020679497736827
Energy: 0.27374670201378154
Energy: 0.27253062227457003
Energy: 0.2597853859413693
Energy: 0.2628766216625854
Energy: 0.2608826894157971
Energy: 0.27479049800282895
Energy: 0.2748315499291983
Energy: 0.27538364347902844
Energy: 0.268245549089407
Energy: 0.26790000353925997
Energy: 0.2722886043194467
Energy: 0.27268645139255865
Energy: 0.2745843936364905
Energy: 0.2664617448844788
Energy: 0.2905315190920596
Energy: 0.26108653486426814
Energy: 0.29906571233894647
Energy: 0.318819423417818
Energy: 0.2754074825750393
Energy: 0.2854877870848888
Energy: 0.2737761320838967
Energy: 0.29836042759568554
Energy: 0.3187942740111312
Energy: 0.2810422077945172
Energy: 0.2767505155884233
Energy: 0.2666854317055628
Energy: 0.266476594606167
Energy: 0.26365672545827484
Energy: 0.2669638593628205
Energy: 0.2762952735771907
Energy: 0.2698781864578478
Energy: 0.26944148196828926
Energy: 0.2637153201747606
Energy: 0.26484741478237905
Energy: 0.31447770889459975
Energy: 0.26622577945228687
Energy: 0.2584050927149983
Energy: 0.2731693585352623
Energy: 0.2681292168550795
Energy: 0.2634929520009835
Energy: 0.2678552440718842
Energy: 0.2744737151851788
Energy: 0.2579956909773588
Energy: 0.2669345968202123
Energy: 0.2623292185801758
Energy: 0.27436552496070765
Energy: 0.2591784722431986
Energy: 0.25713600623947186
Energy: 0.2725124799646853
Energy: 0.26774917297086126
Energy: 0.2675273015082226
Energy: 0.26004229609480456
Energy: 0.2719095021797873
Energy: 0.2596694802631988
Energy: 0.26018439202162535
Energy: 0.28652292175382693
Energy: 0.2578463457633329
Energy: 0.26429556753110245
Energy: 0.29509457887594215
Energy: 0.2615447314797983
Energy: 0.2774839177696721
Energy: 0.25855020286447333
Energy: 0.29013443214435813

minimum gb energy = 0.25260570271334976 eV
minimum distance =  3.17469247177535 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.42422340348123344
Energy: 0.21539506771767034
Energy: 0.21721916853313483
Energy: 0.22562099399022528
Energy: 0.21548577681251377
Energy: 0.42449354057405847
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Energy: 0.2294724681419244
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Energy: 0.22560934563607
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Energy: 0.22122948546063606
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Energy: 0.23083974884854633
Energy: 0.22027679685772347
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Energy: 0.2306053964925949
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Energy: 0.22681310205119398
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Energy: 0.425094835935414
Energy: 0.2244476776322045
Energy: 0.22745071874183345
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Energy: 0.2866664249685516
Energy: 0.22434535407505737
Energy: 0.22345909525756688
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Energy: 0.22029728904541476
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Energy: 0.2840174992071283
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Energy: 0.2590604715062728
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Energy: 0.2233360675793565
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Energy: 0.2241543486787005
Energy: 0.2240984655826213
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Energy: 0.22434902906461396
Energy: 0.2239985844858745
Energy: 0.22801269776012262
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Energy: 0.22392389538761315
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Energy: 0.223859196283565
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Energy: 0.22002004467453798
Energy: 0.21972938992521673
Energy: 0.2213865456116022
Energy: 0.23661030606732833
Energy: 0.37867186891952515
Energy: 0.23785386624693713
Energy: 0.22588457828401273
Energy: 0.2184434458940247
Energy: 0.2366935273674972
Energy: 0.3792459610597435
Energy: 0.2376511199691683
Energy: 0.22612098795199695
Energy: 0.21853150145722974
Energy: 0.22382147282207282
Energy: 0.22750820901216204
Energy: 0.2212886821503851
Energy: 0.22997103786120587
Energy: 0.22100072107665508
Energy: 0.22408110144174806
Energy: 0.22766352074701415
Energy: 0.2214630120504563
Energy: 0.22972633752828947
Energy: 0.22061041423903752
Energy: 0.28775504288510684
Energy: 0.2200284039465451
Energy: 0.2293054616413781
Energy: 0.2293602178406429
Energy: 0.22416075937765476
Energy: 0.24531663957853136
Energy: 0.22003984815852293
Energy: 0.23043792259506968
Energy: 0.220160092246221
Energy: 0.22389301543678922

minimum gb energy = 0.21539506771767034 eV
minimum distance =  3.21263706386672 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.10348501495594724
Energy: 0.32023449213118405
Energy: 0.127180790303647
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Energy: 0.3380173497067559
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Energy: 0.0916433944267765
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Energy: 0.13699164319878648
Energy: 0.07458287226687085
Energy: 0.14259652138600448
Energy: 0.3788356848742235
Energy: 0.1362925993021648
Energy: 0.09299276506281345
Energy: 0.09358103347511308
Energy: 0.15148352981087745
Energy: 0.32364001297610695
Energy: 0.13949604651491485
Energy: 0.07226912992285742
Energy: 0.0736751132425031
Energy: 0.13910279495040626
Energy: 0.31937795650983164
Energy: 0.1336170322243721
Energy: 0.1344896999826542
Energy: 0.14240464629331126
Energy: 0.1293958107828487
Energy: 0.13931649065238003
Energy: 0.12908888283171363
Energy: 0.14488808152347682
Energy: 0.14256599974583212
Energy: 0.1340068541206306
Energy: 0.13297316439126092
Energy: 0.1313479298401371
Energy: 0.10305666682797739
Energy: 0.13351479385702109
Energy: 0.13138110957469046
Energy: 0.14569241853030462
Energy: 0.12946957547879923
Energy: 0.07206139254507378
Energy: 0.135182006648673
Energy: 0.14731164984977765
Energy: 0.14557421183544111
Energy: 0.10317103011774986

minimum gb energy = 0.0718823351487124 eV
minimum distance =  3.27033694510156 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.3638426466749764
Energy: 0.20778012085388015
Energy: 0.2071269477895558
Energy: 0.20692959857697962
Energy: 0.19744491288409532
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Energy: 0.2017961852322608
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Energy: 0.1956318581483248
Energy: 0.2167520310406339
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Energy: 0.20908439384821614
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Energy: 0.22943283256775407
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Energy: 0.22129276759345598
Energy: 0.2144535751162328
Energy: 0.20725140707473466
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Energy: 0.22414142039724436
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Energy: 0.4207613517636114
Energy: 0.20097213704562442
Energy: 0.20323620202426593
Energy: 0.2026608879536055
Energy: 0.22351156383546048

minimum gb energy = 0.19106909138511521 eV
minimum distance =  3.12323466422308 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.34412626736731144
Energy: 0.27291113961952723
Energy: 0.27865050621068504
Energy: 0.25835431857326335
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Energy: 0.27144827327654963
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Energy: 0.27241758406437855
Energy: 0.27167434245813576
Energy: 0.3071631826915529
Energy: 0.2686802334715968
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Energy: 0.2727478670546309
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Energy: 0.2784993931444538
Energy: 0.27214203962589945
Energy: 0.2925789097923364
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Energy: 0.27883272741787446
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Energy: 0.2731390832366833
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Energy: 0.2727503380094733
Energy: 0.30020167809518755
Energy: 0.2762253967931888
Energy: 0.27269269644600014
Energy: 0.26882500618703836
Energy: 0.30341650738241666
Energy: 0.27269698474782694
Energy: 0.2924930892287962
Energy: 0.27315586694719945
Energy: 0.2725386899536444
Energy: 0.30364863534003905
Energy: 0.272904980587402
Energy: 0.2769938895718728
Energy: 0.27322148681718467
Energy: 0.2728079875658171
Energy: 0.26865986176071543
Energy: 0.28669334840044686
Energy: 0.2909868438667041
Energy: 0.27285510613558167
Energy: 0.28028857143020774
Energy: 0.26849172678629424
Energy: 0.2865660301558456
Energy: 0.2824764320449563
Energy: 0.27273297793131723
Energy: 0.27286146655883586
Energy: 0.27269162363792576
Energy: 0.2580614191006902
Energy: 0.27882066065086586
Energy: 0.27274568956788564
Energy: 0.2728513960943816
Energy: 0.272684566052775
Energy: 0.2786002512804136
Energy: 0.2581621763566441
Energy: 0.2725605436154838

minimum gb energy = 0.2430707391219427 eV
minimum distance =  3.20916664858894 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.4093548475780736
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minimum gb energy = 0.2840915196285424 eV
minimum distance =  3.14415623663433 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.3373263808053581
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Energy: 0.3420743725199484
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Energy: 0.31623399024026894
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Energy: 0.3074437482386635
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Energy: 0.2943617788397919
Energy: 0.31442158572824813
Energy: 0.29742458388642784
Energy: 0.3265417313294176
Energy: 0.3100262978763241
Energy: 0.2960462542699771
Energy: 0.3150598574355524
Energy: 0.3134381849444322
Energy: 0.32608256655941825
Energy: 0.3002587225950154
Energy: 0.30570321619523616
Energy: 0.3007281146398514
Energy: 0.33022053897388287
Energy: 0.3104458049954375
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Energy: 0.3064162431567559
Energy: 0.30588905625725205
Energy: 0.3127448596973302
Energy: 0.31230886211471887
Energy: 0.31563452507329665
Energy: 0.2905517220494025
Energy: 0.29714552530129884
Energy: 0.3026347077179888
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Energy: 0.3173967547750611
Energy: 0.2871284503178437
Energy: 0.28943448869710564
Energy: 0.3073119697702597
Energy: 0.33106618366852625
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Energy: 0.30635180115560534
Energy: 0.2997813741229671
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Energy: 0.3015453985286409
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Energy: 0.38436430855703946
Energy: 0.31442456986237843
Energy: 0.2890183577822581
Energy: 0.29833261763066626
Energy: 0.3081268578095853
Energy: 0.4006133581311813
Energy: 0.3116699040195483
Energy: 0.2964234620997898
Energy: 0.3019785501053255
Energy: 0.31011990635897696
Energy: 0.31211573141497423
Energy: 0.2986232790377119
Energy: 0.29527155809601674
Energy: 0.30328128881145344
Energy: 0.3160289587458949
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Energy: 0.29251102772284865
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Energy: 0.2963331506364261
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Energy: 0.3006756795954355
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Energy: 0.34220949237947984
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Energy: 0.3292608819456095
Energy: 0.3280417941917858
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Energy: 0.3008605469989372
Energy: 0.29544490673345986
Energy: 0.3089057895200856
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Energy: 0.2994061701793131
Energy: 0.30233124828907004
Energy: 0.2974805307166639
Energy: 0.3069258800315337
Energy: 0.3079009284556501
Energy: 0.29722567780789333
Energy: 0.29600501360000425
Energy: 0.29406368462498106
Energy: 0.2950419959317835
Energy: 0.3086434937030452
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Energy: 0.3000746868061437
Energy: 0.2956817817641969
Energy: 0.29661988164801073
Energy: 0.32147375996764344
Energy: 0.3308397070788369
Energy: 0.31463396605511507
Energy: 0.29537549489967385
Energy: 0.31063060124692976
Energy: 0.30855068044115996
Energy: 0.33380568377210795
Energy: 0.31065196273515794
Energy: 0.29672592958720767
Energy: 0.31822232743557516
Energy: 0.30662052564824094
Energy: 0.30554347306965274
Energy: 0.31184706294033127
Energy: 0.3060056843244947
Energy: 0.29902917806110796
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Energy: 0.3080975949383878
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Energy: 0.3096833756060916
Energy: 0.32388408490746906
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Energy: 0.3036767720172912
Energy: 0.31804642652587023
Energy: 0.32125860715403926
Energy: 0.2895941580080757
Energy: 0.33693264475274065
Energy: 0.30165157989023145
Energy: 0.2870462762344415
Energy: 0.30564523177383984
Energy: 0.2961902858768162
Energy: 0.3419890238319524
Energy: 0.31282327095539125
Energy: 0.31302489942444073
Energy: 0.31367326442889315
Energy: 0.2954650774683942
Energy: 0.29853720854654414
Energy: 0.29710014444315797
Energy: 0.35274390403819167
Energy: 0.31928202052871324
Energy: 0.2887997268217086
Energy: 0.2957843444253647
Energy: 0.2957811499632105
Energy: 0.36103241182263157
Energy: 0.28994876763162575
Energy: 0.29580689536202576
Energy: 0.30521319500260086
Energy: 0.2952877068636104
Energy: 0.3092219876656587
Energy: 0.30239720553646615
Energy: 0.2971525735987441
Energy: 0.3023056406662038
Energy: 0.2906430155660006
Energy: 0.3291649890772345
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Energy: 0.29734022758198325
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Energy: 0.33248634001101757
Energy: 0.30569760322952033
Energy: 0.3004093745237096
Energy: 0.29084324117699506
Energy: 0.32488518735108873
Energy: 0.32490916352367155
Energy: 0.3004006396094918
Energy: 0.3015280904718801
Energy: 0.3025941796157871
Energy: 0.3179498495152375
Energy: 0.3296210016484684
Energy: 0.32405410948003777
Energy: 0.3514833815139678
Energy: 0.30468144162179145
Energy: 0.31378213118115506
Energy: 0.31162159525375516
Energy: 0.30817978734015156
Energy: 0.34389006061875216
Energy: 0.32056563172432906
Energy: 0.30610036352048076
Energy: 0.306673092686815
Energy: 0.3102391855161363
Energy: 0.2910115266069292
Energy: 0.3145754007012289
Energy: 0.30785246519076626
Energy: 0.31659641539233896
Energy: 0.30880813973600185
Energy: 0.2948412399705376
Energy: 0.2982479454003276
Energy: 0.29540695875376066
Energy: 0.3070168746696234
Energy: 0.3107069546653356
Energy: 0.3099763873476741
Energy: 0.2939333852489763
Energy: 0.29237945320281533
Energy: 0.3093739704996304
Energy: 0.31060494156217955
Energy: 0.3028865347164216
Energy: 0.3083778242862122
Energy: 0.30675039428359946
Energy: 0.32516678054544884
Energy: 0.3339879864085968
Energy: 0.3174981154409113
Energy: 0.30860316176045677
Energy: 0.3183763808369295
Energy: 0.31043222028438755
Energy: 0.3282174715324238
Energy: 0.32691405613682717
Energy: 0.3035819876973592
Energy: 0.30574839895015243
Energy: 0.3038439494378398
Energy: 0.3056325477832309
Energy: 0.3118973036163884
Energy: 0.2924245485418001
Energy: 0.3060351297317163
Energy: 0.30082817021807934
Energy: 0.2991531527381315
Energy: 0.310801344120655
Energy: 0.31292297641513767
Energy: 0.3089313410440791
Energy: 0.29946852087003406
Energy: 0.3135146321746725
Energy: 0.33200618058478615
Energy: 0.31074809168827305
Energy: 0.29137750163439163
Energy: 0.29987071786120684
Energy: 0.30935799831818167
Energy: 0.32395757481410314
Energy: 0.2906187597956519
Energy: 0.3106938814407406
Energy: 0.33163209003884747
Energy: 0.28741528058573645
Energy: 0.3087994266080061
Energy: 0.35168238050744477
Energy: 0.30714664308266276
Energy: 0.33570172664363257
Energy: 0.30127924892363556
Energy: 0.31329050770216826

minimum gb energy = 0.2856798841583937 eV
minimum distance =  3.13006006656365 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.25358268311847043
Energy: 0.25556186954701887
Energy: 0.2893360830009635
Energy: 0.3141787533080564
Energy: 0.25563602865653123
Energy: 0.25406419176031947
Energy: 0.2623064404744695
Energy: 0.2892588739407231
Energy: 0.2622433619288534
Energy: 0.2553793248781944
Energy: 0.25498485043991814
Energy: 0.2614817174235787
Energy: 0.260637432984793
Energy: 0.26039797288271876
Energy: 0.26306389717273987
Energy: 0.281987139577334
Energy: 0.2614282262725264
Energy: 0.2656028196758825
Energy: 0.26050232560979675
Energy: 0.2630183129075389
Energy: 0.2631778510982973
Energy: 0.2614953679439229
Energy: 0.2618289128853114
Energy: 0.290968456546009
Energy: 0.2813091181424793
Energy: 0.2629954420658252
Energy: 0.26112633851030387
Energy: 0.2617435686745607
Energy: 0.28928078217639847
Energy: 0.28177643603843544
Energy: 0.2898965305125092
Energy: 0.25471473422558144
Energy: 0.2551950326081215
Energy: 0.2628996165552544
Energy: 0.29099896434589895
Energy: 0.28944535047532605
Energy: 0.25447821799394693
Energy: 0.2554126119585459
Energy: 0.26313928167298484
Energy: 0.2549414208678445
Energy: 0.2626341831149644
Energy: 0.25507467037479087
Energy: 0.25470919932724867
Energy: 0.2619997494819914
Energy: 0.2621841422466922
Energy: 0.2616379483507548
Energy: 0.2550855528396237
Energy: 0.2545911086969607
Energy: 0.26176301169121885
Energy: 0.26231861358787023
Energy: 0.2613243246826337
Energy: 0.28954190369680793
Energy: 0.2621639175064418
Energy: 0.2611681077560485
Energy: 0.26338157915016014
Energy: 0.2615149302211342
Energy: 0.28898862540573916
Energy: 0.26212132728490617
Energy: 0.26206098082664436
Energy: 0.26319672871263
Energy: 0.2899715697701427
Energy: 0.2553644371921285
Energy: 0.26284316932764157
Energy: 0.2615470463099689
Energy: 0.2615236151746421
Energy: 0.29019634919902587
Energy: 0.25499992387734405
Energy: 0.26256307811734697
Energy: 0.2614561901637861
Energy: 0.2612843145270133
Energy: 0.27883213147026886
Energy: 0.2814798297174831
Energy: 0.28950404436755117
Energy: 0.25436661116378173
Energy: 0.25516023223943646
Energy: 0.2792593979577626
Energy: 0.28011188049354446
Energy: 0.26402035502261556
Energy: 0.2542277042953221
Energy: 0.2552388101365499
Energy: 0.261546385798576
Energy: 0.26409715921366406
Energy: 0.26078420282833153
Energy: 0.2550337865645343
Energy: 0.28246933686165926
Energy: 0.26135065023145565
Energy: 0.2606816443094737
Energy: 0.2605778432359091
Energy: 0.2548045060914518
Energy: 0.28223230561488916
Energy: 0.2621593197748857
Energy: 0.26190549963985393
Energy: 0.2805394929255228
Energy: 0.29003655796163397
Energy: 0.3146621759974774
Energy: 0.26229516891085763
Energy: 0.2620443079697317
Energy: 0.3345439087207172
Energy: 0.2792073097015327
Energy: 0.2609524363806022
Energy: 0.25502010538165326
Energy: 0.26322482565370703
Energy: 0.2801048667647391
Energy: 0.2902482143424434
Energy: 0.2627341654617127
Energy: 0.25509277339875924
Energy: 0.263070713335963
Energy: 0.25508503899651547
Energy: 0.29022315574280405
Energy: 0.2834317508919308
Energy: 0.2536876255670421
Energy: 0.2622689841860876
Energy: 0.28915244011897356
Energy: 0.31453505791944714
Energy: 0.2555738232135507
Energy: 0.25420218035636605
Energy: 0.2622958565974874
Energy: 0.2891599040966231
Energy: 0.2623273319785803
Energy: 0.25538401690480905
Energy: 0.28228732302664883
Energy: 0.2612492799165871
Energy: 0.2605361602653497
Energy: 0.2603916443870902
Energy: 0.2620238399203987
Energy: 0.2820917974049985
Energy: 0.26147093746060024
Energy: 0.25530598381090247
Energy: 0.2606920554669399
Energy: 0.27893570025376063
Energy: 0.2632317085090228
Energy: 0.2616901198742782
Energy: 0.2618700147586506
Energy: 0.28880589613955027
Energy: 0.2814431464650487
Energy: 0.26315340948921545
Energy: 0.2612897006213964
Energy: 0.26166641764778276
Energy: 0.28938890634652814
Energy: 0.2815149809597685
Energy: 0.2899609193875138
Energy: 0.254653053958373
Energy: 0.2551078441611762
Energy: 0.262961306871008
Energy: 0.29099164873984823
Energy: 0.28955983717513917
Energy: 0.2544282347896261
Energy: 0.2553450297278454
Energy: 0.26293348726574267
Energy: 0.281583957057161
Energy: 0.31501451480506715
Energy: 0.255206093074462
Energy: 0.25449052129039046
Energy: 0.2618098730640444
Energy: 0.26237605886204896
Energy: 0.26144843829241454
Energy: 0.2551097471283397
Energy: 0.2545094198211531
Energy: 0.2616020702395956
Energy: 0.2625424585132712
Energy: 0.26154028458496176
Energy: 0.28947763512690955
Energy: 0.26219656820445447
Energy: 0.26128870117227004
Energy: 0.2635688465303016
Energy: 0.2616373113376943
Energy: 0.28911601078641896
Energy: 0.2620244106839357
Energy: 0.2617868200772112
Energy: 0.26331689888342763
Energy: 0.2898310722904664
Energy: 0.2553205824648776
Energy: 0.2628195082862279
Energy: 0.261532681882862
Energy: 0.2617994012717298
Energy: 0.28989025363166704
Energy: 0.2550244995717971
Energy: 0.2627630472561623
Energy: 0.2615937491157148
Energy: 0.26202370661807106
Energy: 0.278766318928055
Energy: 0.281620918482568
Energy: 0.2893047160144671
Energy: 0.2544516677045499
Energy: 0.255254022439776
Energy: 0.2792328124420794
Energy: 0.2796726210066596
Energy: 0.28924869523516056
Energy: 0.25427598937388085
Energy: 0.25521770675334327
Energy: 0.2616557068332978
Energy: 0.2640938644118826
Energy: 0.2604845049587133
Energy: 0.2550836216122181
Energy: 0.2821474137783961
Energy: 0.26143289944573944
Energy: 0.260857220225787
Energy: 0.26061750982275206
Energy: 0.2548444369822845
Energy: 0.26213891918047383
Energy: 0.26181625198392366
Energy: 0.26185550932203244
Energy: 0.2799630311991784
Energy: 0.28041263650597564
Energy: 0.31481792518076657
Energy: 0.2625409030379383
Energy: 0.2620849737032627
Energy: 0.3348584895554427
Energy: 0.2791812201742819
Energy: 0.31382710067486064
Energy: 0.2548206580994802
Energy: 0.2625791100074355
Energy: 0.28020743845264606
Energy: 0.29019226975249435
Energy: 0.28178624767664423
Energy: 0.25500113563182136
Energy: 0.2626984183134702
Energy: 0.2550632604874049
Energy: 0.28996782695144707
Energy: 0.2816260889804987

minimum gb energy = 0.25358268311847043 eV
minimum distance =  3.16511503703036 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.43673580821250146
Energy: 0.3166324054504766
Energy: 0.31629627854912373
Energy: 0.29512201135707655
Energy: 0.3122850576794345
Energy: 0.28350024556011927
Energy: 0.30261570778297747
Energy: 0.3013633775609655
Energy: 0.2984535830917027
Energy: 0.32260551647441943
Energy: 0.27796358895028556
Energy: 0.29585012308990816
Energy: 0.2902230180541245
Energy: 0.29193848799415845
Energy: 0.30010436940410085
Energy: 0.2780783593154986
Energy: 0.3013329789835739
Energy: 0.29086958816228886
Energy: 0.30537882552128515
Energy: 0.2861528417388282
Energy: 0.31682731815300547
Energy: 0.3154112533677152
Energy: 0.28736005849972784
Energy: 0.3082315417995642
Energy: 0.30972901463246794
Energy: 0.31554836900860334
Energy: 0.30686919346046204
Energy: 0.2874588222250111
Energy: 0.3019371861545493
Energy: 0.3082926222627422
Energy: 0.3091358618093083
Energy: 0.2857748484928075
Energy: 0.32215147889743434
Energy: 0.3240647171640303
Energy: 0.30961714429366455
Energy: 0.3113500713472103
Energy: 0.28499408743007687
Energy: 0.30632890622184744
Energy: 0.3175794467657409
Energy: 0.3082982557459812
Energy: 0.31191207658231485
Energy: 0.32581660781103666
Energy: 0.33442648308512934
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Energy: 0.3034123935421853
Energy: 0.3081711011751909
Energy: 0.32341167465582954
Energy: 0.3093093838943364
Energy: 0.31941122880503303
Energy: 0.30325990458144486
Energy: 0.3177436833830769
Energy: 0.28296777174760757
Energy: 0.2848775206381357
Energy: 0.33003648468592095
Energy: 0.3391493096068686
Energy: 0.3319818453518872
Energy: 0.2841569158562171
Energy: 0.28565543352619155
Energy: 0.331594283374813
Energy: 0.3215912457506396
Energy: 0.28443126323231294
Energy: 0.28212311818740105
Energy: 0.2850294097148175
Energy: 0.29533845821547433
Energy: 0.30980147410114234
Energy: 0.28400174967102554
Energy: 0.2833305293640453
Energy: 0.2851287565119937
Energy: 0.2992057286370246
Energy: 0.3084835507609544
Energy: 0.2916947884548047
Energy: 0.2827293825971017
Energy: 0.2853437588562157
Energy: 0.30520904697798007
Energy: 0.331816276639807
Energy: 0.2852444429265743
Energy: 0.2837397670371251
Energy: 0.30561971633821866
Energy: 0.30477990709103076
Energy: 0.3183854728967232
Energy: 0.29714651026589817
Energy: 0.3260275070501603
Energy: 0.3145360653285558
Energy: 0.29887358375017925
Energy: 0.28584164594490163
Energy: 0.29827604682857933
Energy: 0.3294412509015471
Energy: 0.30985961614742885
Energy: 0.29527066466217594
Energy: 0.286529002065404
Energy: 0.30477431237922925
Energy: 0.2947626841373886
Energy: 0.2850479458680625
Energy: 0.282515657703785
Energy: 0.2832767427828137
Energy: 0.28727237951127704
Energy: 0.2947843501736996
Energy: 0.2846444132543958
Energy: 0.2830526497270979
Energy: 0.2888895112020536
Energy: 0.2853510463619001
Energy: 0.28899180853189727
Energy: 0.28747610791004236
Energy: 0.2825493287900653
Energy: 0.2825214621264364
Energy: 0.2870156608981809
Energy: 0.2898667432251972
Energy: 0.2857999907416743
Energy: 0.2832982768548954
Energy: 0.28375817523935254
Energy: 0.30927186192012757
Energy: 0.3218979390960544
Energy: 0.3101661449683264
Energy: 0.2767184559273963
Energy: 0.3193535993648483
Energy: 0.30948317062954367
Energy: 0.3139855807238563
Energy: 0.31269096424543413
Energy: 0.27643629005109754
Energy: 0.3234258482276498
Energy: 0.3068944012138347
Energy: 0.31674326325929714
Energy: 0.30671804504500944
Energy: 0.32481462729326827
Energy: 0.3043068050895498
Energy: 0.3105830746506318
Energy: 0.30524773951971224
Energy: 0.2931165620065787
Energy: 0.3242158460793569
Energy: 0.30188230064040544
Energy: 0.28989000497904205
Energy: 0.3083498420117074
Energy: 0.277004539111056
Energy: 0.2985951646050507
Energy: 0.29773745729682405
Energy: 0.28997383772364616
Energy: 0.2991892640644624
Energy: 0.2770063345014822
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Energy: 0.291483326685109
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Energy: 0.3086680307700625
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Energy: 0.28570092213846165
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Energy: 0.2964392849789031
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Energy: 0.2853100980008878
Energy: 0.28536429036705413
Energy: 0.3214354891565293
Energy: 0.3044074281851489
Energy: 0.28574442429187635
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Energy: 0.2871589509406833
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Energy: 0.280812164303609
Energy: 0.2843335112791001
Energy: 0.3205543405907024
Energy: 0.32530188394672394
Energy: 0.28121745506109186
Energy: 0.28270141895693696
Energy: 0.28474460786712735
Energy: 0.2870416907481271
Energy: 0.3106405104698188
Energy: 0.28746955938546376
Energy: 0.2832016810629738
Energy: 0.28374527526979604
Energy: 0.31277210718339044
Energy: 0.3123593122447025
Energy: 0.2889478589080887
Energy: 0.28204289351995987
Energy: 0.2829813515029983
Energy: 0.3093267411048415
Energy: 0.3033460183976893
Energy: 0.3039054399885508
Energy: 0.2763080612657944
Energy: 0.3171324003948402
Energy: 0.30945328987564297
Energy: 0.3002572597608435
Energy: 0.2889434150704989
Energy: 0.27853282139896407
Energy: 0.32467599035763267
Energy: 0.2869357777061023
Energy: 0.30055725821081647
Energy: 0.3272180588007602
Energy: 0.3013740139951193
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Energy: 0.28949511563980324
Energy: 0.29630772777617803
Energy: 0.30856184556502936
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Energy: 0.28862209032135877
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Energy: 0.29000938557853595
Energy: 0.3023065820086043
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Energy: 0.31483594211860944
Energy: 0.31188286381996627
Energy: 0.29318769588509913
Energy: 0.30225680498284785
Energy: 0.31002892533828424
Energy: 0.2944653226086189
Energy: 0.3022401778844114
Energy: 0.3310148522972944
Energy: 0.3107852841556799
Energy: 0.3098611476669092
Energy: 0.3136437585886612
Energy: 0.2983838368776438
Energy: 0.330308052399604
Energy: 0.3092154419270663
Energy: 0.3087894042880389
Energy: 0.3100141448430505
Energy: 0.2864581006667532
Energy: 0.33601962683366965
Energy: 0.3035445377968377
Energy: 0.28186218010541975
Energy: 0.32833138076441454
Energy: 0.3871869289681889
Energy: 0.34185147248163095
Energy: 0.2902409110984452
Energy: 0.3133135311260636
Energy: 0.3258492625812992
Energy: 0.3870983512607827
Energy: 0.31754980639548197
Energy: 0.3300794562398193
Energy: 0.3291766866851559
Energy: 0.32930645057192715
Energy: 0.28444296528518753
Energy: 0.3180068085493909
Energy: 0.33021880450379315
Energy: 0.3295984841133864
Energy: 0.3245897069428713
Energy: 0.28378755452034016
Energy: 0.28374945240369337
Energy: 0.29708933295975193
Energy: 0.2851702458478188
Energy: 0.28438392265782964
Energy: 0.28470446638402563
Energy: 0.28487065601193007
Energy: 0.2991808973151181
Energy: 0.2841676814233909
Energy: 0.2835624863720561
Energy: 0.28412174671834645
Energy: 0.28487639041168944
Energy: 0.3004044629514529
Energy: 0.30136984747799295
Energy: 0.2845418257546755
Energy: 0.2845393568726382
Energy: 0.2854053958461892
Energy: 0.2994252391354017
Energy: 0.30255733523679595
Energy: 0.2839725945637082
Energy: 0.28365180465748707
Energy: 0.3212874393860414
Energy: 0.3278429665236386
Energy: 0.28557854619005196
Energy: 0.29517520428827737
Energy: 0.30859820822751455
Energy: 0.31956544872627707
Energy: 0.327492806507147
Energy: 0.27769755967282106
Energy: 0.29472793841081746
Energy: 0.3092401570497158
Energy: 0.2826622800974844
Energy: 0.2823975014163107
Energy: 0.30701066069493516
Energy: 0.3296688186173503
Energy: 0.3274507980385151
Energy: 0.277765373291354
Energy: 0.27902949010617983
Energy: 0.32847139124244645
Energy: 0.3292382037354536
Energy: 0.32603491077383057
Energy: 0.28278677907909966
Energy: 0.28277936529543746
Energy: 0.2832628650907435
Energy: 0.3089687740920929
Energy: 0.2889903566813086
Energy: 0.28538707153332754
Energy: 0.2839556028548344
Energy: 0.29318343764050625
Energy: 0.29858787507856815
Energy: 0.29127117990754803
Energy: 0.2906008311833341
Energy: 0.2784181792621131
Energy: 0.3097586225640352
Energy: 0.3129327895054167
Energy: 0.31373554348177957
Energy: 0.27906537046283947
Energy: 0.2840570414382028
Energy: 0.30998404741818064
Energy: 0.32121785204089365
Energy: 0.3170639375072554
Energy: 0.28939372181606493
Energy: 0.3252159693294053
Energy: 0.3011008753809292
Energy: 0.2834812597334284
Energy: 0.2742551790130112
Energy: 0.2843043208686442
Energy: 0.29774607433076816
Energy: 0.300435830085695
Energy: 0.2940704031162212
Energy: 0.27772572740074347

minimum gb energy = 0.27425172475648174 eV
minimum distance =  3.11954946550671 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.3484759373589754
Energy: 0.29126722370286817
Energy: 0.3017540485417413
Energy: 0.2867116557082743
Energy: 0.2915927259842323
Energy: 0.3487539726097095
Energy: 0.2903071366500164
Energy: 0.30112740872654015
Energy: 0.2863047848738741
Energy: 0.26899005953307537
Energy: 0.2728824224963123
Energy: 0.32998493012984104
Energy: 0.3059209907570209
Energy: 0.3076563286117628
Energy: 0.3313769491373654
Energy: 0.27716095640461175
Energy: 0.32937435088940226
Energy: 0.3078496202933797
Energy: 0.32483668827174483
Energy: 0.2956288139125028
Energy: 0.29509724232778334
Energy: 0.33314443565593493
Energy: 0.2860760148757578
Energy: 0.2908426869879074
Energy: 0.29070532191689136
Energy: 0.2961768407349051
Energy: 0.33380230288177176
Energy: 0.2861050553107447
Energy: 0.2904193685130437
Energy: 0.2907993360974369
Energy: 0.28987776241408136
Energy: 0.2824132347607719
Energy: 0.3129784071897721
Energy: 0.2927359238239066
Energy: 0.2905678703865334
Energy: 0.29100680702598536
Energy: 0.2898313459854652
Energy: 0.3131992832092876
Energy: 0.2924913329578657
Energy: 0.2907962575783908
Energy: 0.2718607430900695
Energy: 0.29168166765562104
Energy: 0.32053195459292927
Energy: 0.28860889040310006
Energy: 0.2666674312634617
Energy: 0.30650175972506793
Energy: 0.3076016642229484
Energy: 0.32180236620494235
Energy: 0.28884684793736704
Energy: 0.2693596561064758
Energy: 0.28083935356294865
Energy: 0.27333359097815263
Energy: 0.28125844698311014
Energy: 0.2726143414844977
Energy: 0.34970307413725055
Energy: 0.2785551157204412
Energy: 0.2717298231439772
Energy: 0.2722956201646131
Energy: 0.28703753391592146
Energy: 0.3496413224609163
Energy: 0.301946168878985
Energy: 0.29431102035915835
Energy: 0.2913993105603641
Energy: 0.29283276460101115
Energy: 0.2760261680353895
Energy: 0.3025923753458978
Energy: 0.29336238819931015
Energy: 0.29224617692633204
Energy: 0.3092430253710054
Energy: 0.27609820844823385
Energy: 0.33353969503385716
Energy: 0.2718961403408466
Energy: 0.28998540661505506
Energy: 0.3291310905357278
Energy: 0.32559849933411067
Energy: 0.2780502058144937
Energy: 0.27339013516385635
Energy: 0.2901154297859257
Energy: 0.32930085363248446
Energy: 0.32634924388295516
Energy: 0.30310285338630305
Energy: 0.3286316333878797
Energy: 0.2884488985529959
Energy: 0.29884155481158575
Energy: 0.2901472567253285
Energy: 0.3032918752483956
Energy: 0.32891151793679174
Energy: 0.2902510578121813
Energy: 0.29265556759782646
Energy: 0.2899643301807691
Energy: 0.30827695283161227
Energy: 0.32843590787973004
Energy: 0.2791029826241681
Energy: 0.2791435179472794
Energy: 0.28357649643741
Energy: 0.29090764926055557
Energy: 0.3190408576899137
Energy: 0.2795026642130783
Energy: 0.3138161814565713
Energy: 0.3006156104560381
Energy: 0.2772756516844137
Energy: 0.27732232257612294
Energy: 0.32059214225130067
Energy: 0.3631600565905881
Energy: 0.27834817556636443
Energy: 0.27728883576167507
Energy: 0.27735716935029053
Energy: 0.3227089746701223
Energy: 0.3517641998449679
Energy: 0.2899819325146626
Energy: 0.2776091687158757
Energy: 0.27839162504117326
Energy: 0.2791503143256477
Energy: 0.2991723072495856
Energy: 0.2781257593186777
Energy: 0.2771943661757057
Energy: 0.2791161071365355
Energy: 0.27899990601202435
Energy: 0.2996065772477063
Energy: 0.2778094979144216
Energy: 0.2772971209845219
Energy: 0.2781319383309226
Energy: 0.32937819181899475
Energy: 0.3330924557218335
Energy: 0.3072198419872796
Energy: 0.27740860458791694
Energy: 0.27846679176219363
Energy: 0.32829509932195494
Energy: 0.3342330090332624
Energy: 0.2739109965807291
Energy: 0.3053028311964749
Energy: 0.2695512142078183
Energy: 0.28715133294413986
Energy: 0.2928470438052161
Energy: 0.31149266021774896
Energy: 0.3053041039748324
Energy: 0.2710080781740615
Energy: 0.2893079669345306
Energy: 0.29297344350526217
Energy: 0.27484946580637076

minimum gb energy = 0.2666674312634617 eV
minimum distance =  3.13740121256641 Angstroms
sigma value = 33