Model name: model_name=EAM_Dynamo_WangZhuXiang_2018pot2_Pb__MO_961101070310_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pb
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.989170035719873
cohesive_energy=2.0416246998476395
mass=207.2
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.398421422747684e-19, 1.6675935059662198e-19, 1.8234051836227198e-19, 1.94869539640152e-19, 2.07523530695484e-19, 2.20022110617318e-19, 2.3203843537231798e-19, 2.4262722074642395e-19, 2.5167951872852396e-19, 2.60172657065358e-19, 2.6799448339254597e-19, 2.75258752251102e-19, 2.8204557247272595e-19, 2.8839179412e-19, 2.94060295051092e-19, 2.99273777818128e-19, 3.0420527749758e-19, 3.0879871790725797e-19, 3.1304288381072395e-19, 3.1692655997154e-19, 3.2041129415049e-19, 3.23437805812116e-19, 3.2595322312749596e-19, 3.2707795112456394e-19, 3.2684243115936595e-19, 3.26552437188612e-19, 3.25438924427982e-19, 3.2330963168139597e-19, 3.19927436807022e-19, 3.15007152364008e-19, 3.0819309513960595e-19, 2.98956546844596e-19, 2.86640615059038e-19, 2.70817518621654e-19, 2.5054037114175e-19, 2.2475173604088597e-19, 1.9194556728310197e-19, 1.484870067388422e-19, 9.437525331978959e-20, 2.5993713710016e-20, -6.148705311834479e-20, -1.7430880689602998e-19, -3.20268700430064e-19, -5.13987877247004e-19, -7.725407337353879e-19, -1.1256075920400659e-18, -1.6170127896308397e-18, -2.32192244329182e-18, -3.3580660942659595e-18, -4.9671481095585e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.004134114108685656
Energy: 0.004195876595173902
Energy: 0.18332234240621592
Energy: 0.004195876594853759
Energy: 0.004195876595173902
Energy: 0.19535119456027827
Energy: 0.004195876595173902
Energy: 0.1953511945599581
Energy: 0.18332234240654519
Energy: 0.004195876595173902
Energy: 0.004134114108685656
Energy: 0.19348665824706351
Energy: 0.004195876594853759
Energy: 0.195351194559638
Energy: 0.19348665824706351
Energy: 0.19535119456027827

minimum gb energy = 0.004134114108685656 eV
minimum distance =  3.41559417686861 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.3657854345092675
Energy: 0.26700005039532176
Energy: 0.2821490449681737
Energy: 0.2670000503949224
Energy: 0.25979915235322426
Energy: 0.3008554446011261
Energy: 0.2610909796935584
Energy: 0.3008554446015255
Energy: 0.28170378721738165
Energy: 0.2816687360315686
Energy: 0.3952677604096659
Energy: 0.2816687360315686
Energy: 0.2642617315532229
Energy: 0.26095465424707337
Energy: 0.2609481801402819
Energy: 0.26095465424707337
Energy: 0.3376616764140253
Energy: 0.2611518652660338
Energy: 0.26157924514198483
Energy: 0.2611518652660338
Energy: 0.2709338448814833
Energy: 0.2909355075632386
Energy: 0.2611805139582276
Energy: 0.290935507563638
Energy: 0.2664411720902185
Energy: 0.26938920162762636
Energy: 0.26739837463352883
Energy: 0.26938920162762636
Energy: 0.26639160238731147
Energy: 0.26627915821098513
Energy: 0.27608188714615234
Energy: 0.2662791582113845
Energy: 0.2891864457191757
Energy: 0.2788293174385976
Energy: 0.2716141695746675
Energy: 0.2788293174385976
Energy: 0.2748885884172948
Energy: 0.27976562979546227
Energy: 0.270890267708653
Energy: 0.27976562979586167
Energy: 0.2702135437974489
Energy: 0.27948712634623685
Energy: 0.27172206820717226
Energy: 0.27948712634703554
Energy: 0.26663347466428544
Energy: 0.2807202009515853
Energy: 0.27623515312219754
Energy: 0.28072020095198463
Energy: 0.2687692739042675
Energy: 0.2688851710398886
Energy: 0.2584336787325307
Energy: 0.2688851710398886
Energy: 0.27106810417588073
Energy: 0.26890267316604693
Energy: 0.26868333054465426
Energy: 0.2689026731668275
Energy: 0.26304588419173913
Energy: 0.26126080530466217
Energy: 0.2611013092002344
Energy: 0.26126080530466217
Energy: 0.2714717639959835
Energy: 0.26184575327654125
Energy: 0.2610461429351591
Energy: 0.26184575327534315
Energy: 0.28155950005257246
Energy: 0.28035180280790983
Energy: 0.2764982738165222
Energy: 0.28035180280751043
Energy: 0.2609357327151352
Energy: 0.2613425298097925
Energy: 0.2594875514602817
Energy: 0.26134252980939315
Energy: 0.2709718642711793
Energy: 0.28060606932139326
Energy: 0.28098593050686116
Energy: 0.28060606932139326
Energy: 0.27907637873919966
Energy: 0.26139765638526463
Energy: 0.26412597258568843
Energy: 0.2613976563848653
Energy: 0.2614193016657179
Energy: 0.26324623063946406
Energy: 0.27363227234072435
Energy: 0.2632462306390647
Energy: 0.2611494728251623
Energy: 0.2610879267462567
Energy: 0.2709749214901626
Energy: 0.26108792674545805
Energy: 0.26889848705365094
Energy: 0.26882859691370703
Energy: 0.26611962694923436
Energy: 0.26882859691370703
Energy: 0.2762416762705438
Energy: 0.2695046129967372
Energy: 0.2675463594877036
Energy: 0.26950461299593853
Energy: 0.2716155316598851
Energy: 0.2790193334277619
Energy: 0.2945786585736087
Energy: 0.27901933342856067
Energy: 0.2716833642919787
Energy: 0.28005657564017394
Energy: 0.275194868125202
Energy: 0.2800565756409727
Energy: 0.2958160583805812
Energy: 0.27962668851418865
Energy: 0.27007621330449916
Energy: 0.27962668851418865
Energy: 0.27619349802448045
Energy: 0.2797924668203602
Energy: 0.2674619538608203
Energy: 0.2797924668207596
Energy: 0.258352665929769
Energy: 0.26935090590401184
Energy: 0.2680931342963887
Energy: 0.26935090590401184
Energy: 0.2690752321356925
Energy: 0.26877025002901783
Energy: 0.27101233536679437
Energy: 0.26877025002901783
Energy: 0.2611999170760478
Energy: 0.2612338082671541
Energy: 0.2629172616652634
Energy: 0.26123380826675474
Energy: 0.261132602789868
Energy: 0.261213423909116
Energy: 0.2716581406969309
Energy: 0.261213423909116
Energy: 0.26963519128645264
Energy: 0.2637874124366787
Energy: 0.2799500374917754
Energy: 0.2637874124366787

minimum gb energy = 0.258352665929769 eV
minimum distance =  3.09371354071207 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.43699942004331854
Energy: 0.2840327756640545
Energy: 0.2971670788085283
Energy: 0.2840327756631438
Energy: 0.2723239250585413
Energy: 0.3131145332744034
Energy: 0.2727895515101547
Energy: 0.3131145332744034
Energy: 0.2952191460645427
Energy: 0.2930760168513548
Energy: 0.3987618898162314
Energy: 0.29307601685089946
Energy: 0.2761959916145524
Energy: 0.27492017554693754
Energy: 0.27294040366081346
Energy: 0.2749201755483036
Energy: 0.394312714286114
Energy: 0.2731887952254229
Energy: 0.2728856240348993
Energy: 0.2731887952272442
Energy: 0.2872924910976317
Energy: 0.2728980215679221
Energy: 0.27291256844237954
Energy: 0.2728980215688327
Energy: 0.2855185516186362
Energy: 0.28556656856942286
Energy: 0.27828660619733836
Energy: 0.28556656856987817
Energy: 0.28207889691623117
Energy: 0.28403661330109037
Energy: 0.29283230327728277
Energy: 0.28403661329972435
Energy: 0.2822534506278512
Energy: 0.29252233933772576
Energy: 0.2823377461722789
Energy: 0.2925223393395471
Energy: 0.2908756282950903
Energy: 0.29457548862369887
Energy: 0.2821828409737924
Energy: 0.29457548862142213
Energy: 0.2699200088755713
Energy: 0.28803638883396215
Energy: 0.28962904409011114
Energy: 0.2880363888316855
Energy: 0.27530710448593654
Energy: 0.287585587175999
Energy: 0.28919924833104493
Energy: 0.2875855871755437
Energy: 0.2780077872258163
Energy: 0.2782106657298868
Energy: 0.27678800679776516
Energy: 0.2782106657294314
Energy: 0.26716998261480085
Energy: 0.26728338480791214
Energy: 0.27620170181869125
Energy: 0.2672833848074567
Energy: 0.27722359615368414
Energy: 0.27433205214646
Energy: 0.27422013760394764
Energy: 0.27433205214509393
Energy: 0.2673577386072169
Energy: 0.2709952821407122
Energy: 0.27451533697917135
Energy: 0.27099528214161256
Energy: 0.3017273582512431
Energy: 0.29885388729206575
Energy: 0.28705315069994114
Energy: 0.29885388729206575
Energy: 0.26963680678986385
Energy: 0.2673242065433919
Energy: 0.2791704706931656
Energy: 0.2673242065447476
Energy: 0.28211816794072947
Energy: 0.27798007983051676
Energy: 0.2783640120163553
Energy: 0.2779800798318828
Energy: 0.28936445795470267
Energy: 0.2773255624951251
Energy: 0.27600236784281806
Energy: 0.2773255624951251
Energy: 0.2817559763387536
Energy: 0.28465827520919224
Energy: 0.27811042308349737
Energy: 0.28465827520919224
Energy: 0.28088595212026995
Energy: 0.2831837844671819
Energy: 0.29281467609255357
Energy: 0.28318378446627124
Energy: 0.3209495174482475
Energy: 0.29493832105235634
Energy: 0.28212783540831754
Energy: 0.29493832105235634
Energy: 0.29232179131086466
Energy: 0.29479005126985947
Energy: 0.28145693852080694
Energy: 0.29479005126894875
Energy: 0.2700190023762255
Energy: 0.2841733357571669
Energy: 0.2849826430031203
Energy: 0.28417333575625625
Energy: 0.27727417842890795
Energy: 0.28543893628181066
Energy: 0.2866075746804717
Energy: 0.2854389362813553
Energy: 0.27249512627673755
Energy: 0.2720453906219113
Energy: 0.2766746049856051
Energy: 0.272045390621456
Energy: 0.27326179500432585
Energy: 0.2724546521524692
Energy: 0.28158457785583946
Energy: 0.2724546521529245
Energy: 0.28534811472779736
Energy: 0.28479731264833624
Energy: 0.2932473727642918
Energy: 0.2847973126474255

minimum gb energy = 0.26716998261480085 eV
minimum distance =  3.0613631308628 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.39088518952237167
Energy: 0.2814576542395664
Energy: 0.30181392445088423
Energy: 0.2814576542395664
Energy: 0.28043364315599123
Energy: 0.30552834559532743
Energy: 0.27994707576834577
Energy: 0.30552834559532743
Energy: 0.30192437972237
Energy: 0.3002756294809162
Energy: 0.35944967291994795
Energy: 0.3002756294814455
Energy: 0.2818671275999959
Energy: 0.2797158188108389
Energy: 0.2801066527999222
Energy: 0.2797158188118975
Energy: 0.2787423322516563
Energy: 0.2797901029792442
Energy: 0.2797789463766693
Energy: 0.2797901029792442
Energy: 0.29386459439170676
Energy: 0.279874819842409
Energy: 0.281754782146033
Energy: 0.2798748198429383
Energy: 0.28888210271843967
Energy: 0.2982386535863711
Energy: 0.2993476789204914
Energy: 0.2982386535863711
Energy: 0.2873109400499429
Energy: 0.29765412563280536
Energy: 0.30180581690676045
Energy: 0.2976541256333347
Energy: 0.30226030774682505
Energy: 0.2979180858281498
Energy: 0.28197695808074297
Energy: 0.2979180858281498
Energy: 0.2957841785499237
Energy: 0.29838628900322667
Energy: 0.2813216180326225
Energy: 0.29838628900375597
Energy: 0.27619336799339017
Energy: 0.2799734851624106
Energy: 0.2798008175921966
Energy: 0.2799734851629399
Energy: 0.288430237386539
Energy: 0.28201090546713764
Energy: 0.28112887795407004
Energy: 0.28201090546766705
Energy: 0.3002739110372053
Energy: 0.3007638124409474
Energy: 0.2829711909878259
Energy: 0.3007638124409474
Energy: 0.28015964061633664
Energy: 0.28200724866528476
Energy: 0.28160958103517797
Energy: 0.28200724866528476
Energy: 0.3574756481822459
Energy: 0.3011191233452113
Energy: 0.30098658559745545
Energy: 0.3011191233452113
Energy: 0.30168318258976184
Energy: 0.27938696345042413
Energy: 0.2823034189211191
Energy: 0.27938696345095343
Energy: 0.2797797308242734
Energy: 0.2798723511198006
Energy: 0.27858750527044585
Energy: 0.27987235112032993
Energy: 0.28114528726393956
Energy: 0.2797486391940009
Energy: 0.29382732439268683
Energy: 0.2797486391940009
Energy: 0.2993245265356746
Energy: 0.2980424630033774
Energy: 0.2904035023491133
Energy: 0.2980424630039067
Energy: 0.3017795728130537
Energy: 0.29737945393075127
Energy: 0.2877465206924602
Energy: 0.29737945393128057
Energy: 0.2818306692193653
Energy: 0.2978947020705618
Energy: 0.3022937928614653
Energy: 0.2978947020700325
Energy: 0.2919939794295648
Energy: 0.29826215149573737
Energy: 0.2938689460658266
Energy: 0.29826215149573737
Energy: 0.27978074565103445
Energy: 0.28001187370381514
Energy: 0.27615556788015094
Energy: 0.28001187370381514
Energy: 0.281740299450242
Energy: 0.28248108287270934
Energy: 0.2884014888624047
Energy: 0.28248108287270934
Energy: 0.28271738492290316
Energy: 0.28235372240246626
Energy: 0.3004144058885609
Energy: 0.28235372240299556

minimum gb energy = 0.27615556788015094 eV
minimum distance =  3.06976340601421 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.395160249871056
Energy: 0.3014974212936933
Energy: 0.31922128485715123
Energy: 0.30149742129495616
Energy: 0.29400113243750875
Energy: 0.32004064333540533
Energy: 0.297745380563414
Energy: 0.3200406433349676
Energy: 0.31631989847562514
Energy: 0.31640392783418336
Energy: 0.2974409426059565
Energy: 0.3164039278344345
Energy: 0.2919878646495966
Energy: 0.3217335873429239
Energy: 0.2971109008214309
Energy: 0.3217335873427948
Energy: 0.3438531590651811
Energy: 0.29619051709879013
Energy: 0.2960875523745196
Energy: 0.2961905170998593
Energy: 0.3102807939920463
Energy: 0.2962078387896478
Energy: 0.29743048827228424
Energy: 0.29620783878996354
Energy: 0.2932360581457465
Energy: 0.31691308044045524
Energy: 0.29731830421610966
Energy: 0.3169130804402041
Energy: 0.29932546916944114
Energy: 0.3151610551826048
Energy: 0.31538100603190616
Energy: 0.3151610551824756
Energy: 0.30507077628676305
Energy: 0.3052844881232009
Energy: 0.2914210208537865
Energy: 0.30528448812338743
Energy: 0.28898987711688456
Energy: 0.29744873113286824
Energy: 0.2912882558143996
Energy: 0.29744873113394465
Energy: 0.28876903712726054
Energy: 0.288428421026116
Energy: 0.2883955123259712
Energy: 0.288428421026238
Energy: 0.291281144159877
Energy: 0.2819909986177311
Energy: 0.2871829601233401
Energy: 0.28199099861811144
Energy: 0.32509307117766195
Energy: 0.32574577654911163
Energy: 0.29704223097116583
Energy: 0.32574577654892506
Energy: 0.2943263081916696
Energy: 0.31760191999321097
Energy: 0.3000525393435868
Energy: 0.3176019199931464
Energy: 0.3436251338461943
Energy: 0.3011959389028756
Energy: 0.29977676239519974
Energy: 0.3011959389028756
Energy: 0.2942096622132236
Energy: 0.3003616796788821
Energy: 0.2982573499610807
Energy: 0.30036167967944893
Energy: 0.2934817837412488
Energy: 0.31398257880973723
Energy: 0.2983652499488442
Energy: 0.31398257880916325
Energy: 0.29357530283736966
Energy: 0.3157996664883349
Energy: 0.31346574761686247
Energy: 0.31579966648858604
Energy: 0.29481092426160954
Energy: 0.29489623588612196
Energy: 0.2913391428080565
Energy: 0.2948962358856771
Energy: 0.29636248547216226
Energy: 0.2921733511668865
Energy: 0.2914294727227434
Energy: 0.2921733511670156
Energy: 0.30499195961671083
Energy: 0.29527093981506014
Energy: 0.31722754180663193
Energy: 0.2952709398181528

minimum gb energy = 0.2819909986177311 eV
minimum distance =  3.11645723759156 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.32082333902457993
Energy: 0.2907917680443008
Energy: 0.32203746190274124
Energy: 0.29079176804399026
Energy: 0.2843517441531972
Energy: 0.2993596852529559
Energy: 0.29351889827849403
Energy: 0.2993596852534262
Energy: 0.32051386399476733
Energy: 0.3217712675735535
Energy: 0.2860238729331677
Energy: 0.3217712675736245
Energy: 0.28854773028519665
Energy: 0.2993621586597468
Energy: 0.2935582708541893
Energy: 0.2993621586595871
Energy: 0.3001075887110086
Energy: 0.30591980377695593
Energy: 0.29315660219888023
Energy: 0.3059198037771157
Energy: 0.2896962736346218
Energy: 0.30581828529584426
Energy: 0.29305959097844886
Energy: 0.30581828529584426
Energy: 0.28418691553557923
Energy: 0.30564787074759586
Energy: 0.2933419460394693
Energy: 0.3056478707479065
Energy: 0.2846191891647472
Energy: 0.3076866087191727
Energy: 0.2932555157082904
Energy: 0.3076866087190928
Energy: 0.3211147094808543
Energy: 0.32194171713925585
Energy: 0.284536509138326
Energy: 0.32194171713910497
Energy: 0.29334625683546667
Energy: 0.3075415781273547
Energy: 0.2841504067144523
Energy: 0.3075415781275056
Energy: 0.28549317339573577
Energy: 0.32176314936547906
Energy: 0.3213946949343827
Energy: 0.3217631493653992
Energy: 0.2858467208251803
Energy: 0.2998879472022234
Energy: 0.28904495746504133
Energy: 0.2998879472019838
Energy: 0.2933684927490822
Energy: 0.3060537003290307
Energy: 0.299598331849776
Energy: 0.30605370032926144
Energy: 0.29336631376183586
Energy: 0.3056406718934669
Energy: 0.2887134862699492
Energy: 0.30564067189377747
Energy: 0.3062738203168033
Energy: 0.30577353218110964
Energy: 0.2847496989814688
Energy: 0.3057735321815001
Energy: 0.29317473814046213
Energy: 0.30710414192147506
Energy: 0.28476565765512407
Energy: 0.30710414192170576
Energy: 0.2855697797586397
Energy: 0.3079053496858458
Energy: 0.32052038668050625
Energy: 0.307905349685766

minimum gb energy = 0.2841504067144523 eV
minimum distance =  3.11208436857221 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.4427877806514103
Energy: 0.32206612403574825
Energy: 0.34409808919672463
Energy: 0.3220661240361905
Energy: 0.29487870944102856
Energy: 0.29957397728264457
Energy: 0.299637996883631
Energy: 0.29957397728264457
Energy: 0.30785260739680986
Energy: 0.30702921709564096
Energy: 0.30675515662388836
Energy: 0.3070292170951988
Energy: 0.2999846293682878
Energy: 0.31646871689073364
Energy: 0.29971368409602783
Energy: 0.31646871689073364
Energy: 0.30095078600191894
Energy: 0.32136995824959586
Energy: 0.28839827665312795
Energy: 0.32136995824959586
Energy: 0.3001475641911872
Energy: 0.32193556184072797
Energy: 0.3000933059570923
Energy: 0.32193556184028566
Energy: 0.30768986222776606
Energy: 0.30769933584862874
Energy: 0.3078182653154429
Energy: 0.30769933584862874
Energy: 0.30682062756242146
Energy: 0.2998074553174407
Energy: 0.2960716555297042
Energy: 0.2998074553174407
Energy: 0.3444088969198023
Energy: 0.3434313440411846
Energy: 0.31137398185052745
Energy: 0.3434313440416268
Energy: 0.3083394769583312
Energy: 0.31490155955515853
Energy: 0.2974581088043951
Energy: 0.31490155955471627
Energy: 0.2974706761078097
Energy: 0.3000517059168612
Energy: 0.29561883182666515
Energy: 0.3000517059168612
Energy: 0.3092614074802178
Energy: 0.30035817964824857
Energy: 0.30061484038305036
Energy: 0.3003581796478063
Energy: 0.30732886638314466
Energy: 0.3003253078781111
Energy: 0.2996953279222147
Energy: 0.3003253078781111
Energy: 0.3068200258558164
Energy: 0.31090921333135385
Energy: 0.29562498393399916
Energy: 0.31090921333179616
Energy: 0.34568242621867756
Energy: 0.3213348973248448
Energy: 0.307002237679219
Energy: 0.3213348973252871
Energy: 0.34354091160400424
Energy: 0.3231457739566213
Energy: 0.3071475766860894
Energy: 0.3231457739566213
Energy: 0.3065972090211385
Energy: 0.29982191615289444
Energy: 0.3082798344106483
Energy: 0.29982191615333675
Energy: 0.30661373963977756
Energy: 0.29969669038223734
Energy: 0.30805717249810677
Energy: 0.29969669038179503
Energy: 0.30117637791494223
Energy: 0.32270383492341104
Energy: 0.30024375458501523
Energy: 0.32270383492341104
Energy: 0.30659709805140145
Energy: 0.3222701881580025
Energy: 0.30018014693306766
Energy: 0.3222701881584447
Energy: 0.30052755258744657
Energy: 0.29974059749852433
Energy: 0.30636349203418506
Energy: 0.29974059749852433
Energy: 0.30921539448388413
Energy: 0.30663060279480076
Energy: 0.35886587580834883
Energy: 0.30663060279524296
Energy: 0.2972468418247996
Energy: 0.3152622850704708
Energy: 0.29959765242963476
Energy: 0.3152622850700285
Energy: 0.31111583342691657
Energy: 0.3442706418734321
Energy: 0.3435318533991226
Energy: 0.3442706418734321
Energy: 0.29629853686024626
Energy: 0.299690311636687
Energy: 0.30942108606040336
Energy: 0.299690311636687
Energy: 0.30145849324400437
Energy: 0.30031573249575805
Energy: 0.2973759504626911
Energy: 0.3003157324962003
Energy: 0.29542320162443864
Energy: 0.2969494346953616
Energy: 0.3090402833708308
Energy: 0.29694943469491936
Energy: 0.29947922749897665
Energy: 0.30008165735847514
Energy: 0.30590831322155726
Energy: 0.3000816573589174
Energy: 0.2979890143346435
Energy: 0.29992254928611495
Energy: 0.3070950090666402
Energy: 0.29992254928611495
Energy: 0.3073318092857358
Energy: 0.3441161686493767
Energy: 0.34291007033184046
Energy: 0.34411616865026123

minimum gb energy = 0.28839827665312795 eV
minimum distance =  3.14493821205034 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.39665419234174876
Energy: 0.272070965442701
Energy: 0.3170944266298769
Energy: 0.27207096544310594
Energy: 0.3438540717198163
Energy: 0.2789613865386144
Energy: 0.3114034676704745
Energy: 0.2789613865386144
Energy: 0.3171643712682647
Energy: 0.3187914582345077
Energy: 0.3296167696097668
Energy: 0.31879145823532923
Energy: 0.31264625145407715
Energy: 0.2793831273859506
Energy: 0.3117376902144253
Energy: 0.2793831273855457
Energy: 0.3131839375067663
Energy: 0.2794680897992008
Energy: 0.2704838329138029
Energy: 0.27946808980002225
Energy: 0.3117320802405478
Energy: 0.2782397730394928
Energy: 0.27024737312167096
Energy: 0.2782397730385787
Energy: 0.34339199699267725
Energy: 0.31780540879672
Energy: 0.31774257215088236
Energy: 0.3178054087961068
Energy: 0.3429477523538651
Energy: 0.2786140538629797
Energy: 0.3171887443561827
Energy: 0.2786140538625747
Energy: 0.3173476526629702
Energy: 0.31877235523411557
Energy: 0.3069328448173987
Energy: 0.3187723552337106
Energy: 0.31218776692260775
Energy: 0.278759829561937
Energy: 0.31144947283190294
Energy: 0.2787598295620296
Energy: 0.3131012217997104
Energy: 0.280836395773438
Energy: 0.2704886630575547
Energy: 0.28083639577486114
Energy: 0.3122802752278023
Energy: 0.2794646664386237
Energy: 0.2703999482768125
Energy: 0.27946466643832285
Energy: 0.34306186906049807
Energy: 0.2779973824286305
Energy: 0.3169526541116941
Energy: 0.2779973824289313

minimum gb energy = 0.27024737312167096 eV
minimum distance =  3.1773144124227 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.3920521587135419
Energy: 0.3292362288905396
Energy: 0.35156013274728826
Energy: 0.3292362288901628
Energy: 0.3061541565287925
Energy: 0.294962871351755
Energy: 0.35379162046809554
Energy: 0.2949628713521318
Energy: 0.2959543677318733
Energy: 0.2944336740209995
Energy: 0.3464582225353072
Energy: 0.29443367402024584
Energy: 0.2942345748439159
Energy: 0.29515595681251755
Energy: 0.3680652556367308
Energy: 0.29515595681364803
Energy: 0.2946532158446182
Energy: 0.29527656868592833
Energy: 0.3663651446145919
Energy: 0.2952765686847978
Energy: 0.29964362028949937
Energy: 0.29508551069428235
Energy: 0.3661860288105762
Energy: 0.29508551069465916
Energy: 0.36900881771104876
Energy: 0.35044181457882445
Energy: 0.35287968635761874
Energy: 0.3504418145780707
Energy: 0.3657066032509845
Energy: 0.2951078515413793
Energy: 0.3502558710319956
Energy: 0.2951078515413793
Energy: 0.3092778568515057
Energy: 0.31782644455502457
Energy: 0.3119319909027596
Energy: 0.31782644455464776
Energy: 0.2917980060861695
Energy: 0.3194829110847294
Energy: 0.34538485901486854
Energy: 0.31948291108510624
Energy: 0.3113615957640562
Energy: 0.3141307900374064
Energy: 0.3573702542843231
Energy: 0.3141307900370296
Energy: 0.312038577477841
Energy: 0.3109742303547835
Energy: 0.3654324295526633
Energy: 0.3109742303544067
Energy: 0.36249076610464587
Energy: 0.313285468592675
Energy: 0.3127271993535272
Energy: 0.31328546859192125
Energy: 0.36202159041293547
Energy: 0.31175078591271094
Energy: 0.31131706342365756
Energy: 0.311750785912334
Energy: 0.3452768539558103
Energy: 0.3132568614383284
Energy: 0.3107848462389863
Energy: 0.3132568614387052
Energy: 0.3222237040683078
Energy: 0.31727328039589614
Energy: 0.311151204654512
Energy: 0.3172732803943888
Energy: 0.34753225173225666
Energy: 0.29550633680733235
Energy: 0.31225079716919146
Energy: 0.29550633680770916
Energy: 0.351370203465157
Energy: 0.35004335810380105
Energy: 0.3918438721620401
Energy: 0.35004335810380105
Energy: 0.35293252217934745
Energy: 0.29509568206915193
Energy: 0.3151519982736598
Energy: 0.2950956820687751
Energy: 0.3613218622128835
Energy: 0.29449595664578876
Energy: 0.2964205020477788
Energy: 0.2944959566454119
Energy: 0.36818995938934396
Energy: 0.29545500099196864
Energy: 0.2942496751696388
Energy: 0.2954550009930992
Energy: 0.3663095319145998
Energy: 0.29504898322436796
Energy: 0.2943983273528361
Energy: 0.2950489832251216
Energy: 0.3664743857429707
Energy: 0.29572088305925237
Energy: 0.2970963459234094
Energy: 0.295720883060006
Energy: 0.35391510537133164
Energy: 0.35049589762387007
Energy: 0.3690699846881712
Energy: 0.35049589762311634
Energy: 0.3501221065353017
Energy: 0.29492058094693446
Energy: 0.36890948387813555
Energy: 0.2949205809465576
Energy: 0.3109899043507214
Energy: 0.32210601454218857
Energy: 0.309145330860792
Energy: 0.32210601454218857
Energy: 0.3459713469665772
Energy: 0.3190514403314899
Energy: 0.29168924703196786
Energy: 0.3190514403314899
Energy: 0.35744380506416407
Energy: 0.31345607303918377
Energy: 0.3117284297263894
Energy: 0.31345607303918377
Energy: 0.3655256132217591
Energy: 0.31230205161814417
Energy: 0.311925316215725
Energy: 0.31230205161814417
Energy: 0.31249666847786534
Energy: 0.3137358494491671
Energy: 0.3625943334604943
Energy: 0.31373584944954397
Energy: 0.31222763853793273
Energy: 0.31186044904399035
Energy: 0.3462529323875973
Energy: 0.31186044904323673
Energy: 0.3105283161954615
Energy: 0.3124605375135484
Energy: 0.34776977819914634
Energy: 0.31246053751317154
Energy: 0.31208367749374716
Energy: 0.3185158762866886
Energy: 0.3223048729775057
Energy: 0.31851587628744227
Energy: 0.3121918978370081
Energy: 0.29560708841309247
Energy: 0.3237970140520178
Energy: 0.2956070884138461
Energy: 0.3690280469829273
Energy: 0.3500361624903772
Energy: 0.3503508628917491
Energy: 0.3500361624907541

minimum gb energy = 0.29168924703196786 eV
minimum distance =  3.13917804696198 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.41183648337789885
Energy: 0.31751227975257756
Energy: 0.33568393159120546
Energy: 0.31751227975186413
Energy: 0.3125670472383278
Energy: 0.2965743860130251
Energy: 0.33823655285739934
Energy: 0.29657438601332403
Energy: 0.2974844871513614
Energy: 0.2971927173085158
Energy: 0.34851226275318864
Energy: 0.2971927173095893
Energy: 0.2959392170512896
Energy: 0.296450084617037
Energy: 0.3657650654756966
Energy: 0.29645008461673805
Energy: 0.298477267224262
Energy: 0.29785592159211094
Energy: 0.36296267576876107
Energy: 0.29785592159229435
Energy: 0.29850883207176265
Energy: 0.29716631462134613
Energy: 0.36291444342902585
Energy: 0.29716631462116266
Energy: 0.36362912839985007
Energy: 0.35696639784410433
Energy: 0.3453570717682383
Energy: 0.35696639784398887
Energy: 0.3381866435259435
Energy: 0.29774855613065115
Energy: 0.34119042149736734
Energy: 0.29774855613016876
Energy: 0.30919189934085195
Energy: 0.2909026818018596
Energy: 0.339273524226469
Energy: 0.2909026818016218
Energy: 0.3096772552156977
Energy: 0.32564749957868233
Energy: 0.3435209845690653
Energy: 0.3256474995786212
Energy: 0.304706797125284
Energy: 0.31263853402426456
Energy: 0.3396679762995055
Energy: 0.31263853402391123
Energy: 0.3050333818955945
Energy: 0.3052449561566782
Energy: 0.35917177155998614
Energy: 0.3052449561569771
Energy: 0.3422465767145974
Energy: 0.31313204732732164
Energy: 0.30951397831313954
Energy: 0.3131320473277361
Energy: 0.34226010672585944
Energy: 0.3145353726945697
Energy: 0.3117245759133953
Energy: 0.3145353726949297
Energy: 0.3408015114045336
Energy: 0.3105754267591593
Energy: 0.30497933494331486
Energy: 0.31057542675928157
Energy: 0.362944663211109
Energy: 0.30646669694950646
Energy: 0.3067290566182804
Energy: 0.30646669694926865
Energy: 0.36165810181157815
Energy: 0.3135232716006653
Energy: 0.30840842730938983
Energy: 0.31352327160030524
Energy: 0.33800891792770255
Energy: 0.3378596991396484
Energy: 0.36358548502017324
Energy: 0.3378596991394718
Energy: 0.3313454638632396
Energy: 0.30640348137429535
Energy: 0.3380860150410107
Energy: 0.30640348137489326
Energy: 0.3346679399282494
Energy: 0.31505285097421526
Energy: 0.3296589959047274
Energy: 0.31505285097409297
Energy: 0.3322097987073583
Energy: 0.30625260472806926
Energy: 0.3084507243125526
Energy: 0.30625260472770915
Energy: 0.37043895961148565
Energy: 0.296811281433361
Energy: 0.334001951004202
Energy: 0.2968112814337822

minimum gb energy = 0.2909026818016218 eV
minimum distance =  3.07299592989468 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.4979858714269605
Energy: 0.3260382299897954
Energy: 0.34067158071933573
Energy: 0.32603822999106374
Energy: 0.30277604836188987
Energy: 0.2969513454403188
Energy: 0.33223283616029087
Energy: 0.2969513454415871
Energy: 0.29986010487263143
Energy: 0.297549533651524
Energy: 0.33941663063721944
Energy: 0.297549533651524
Energy: 0.2961292299727012
Energy: 0.2960512586426269
Energy: 0.3523650409439264
Energy: 0.2960512586438856
Energy: 0.3028832556175643
Energy: 0.2961013202285413
Energy: 0.36247628832483164
Energy: 0.2961013202302324
Energy: 0.3064984205977804
Energy: 0.3145623276349167
Energy: 0.3621705582664049
Energy: 0.3145623276353394
Energy: 0.34092839163293454
Energy: 0.31546223035644144
Energy: 0.3028935597149205
Energy: 0.31546223035644144
Energy: 0.32026451613246615
Energy: 0.31479199342172887
Energy: 0.3019028694106221
Energy: 0.31479199342299713
Energy: 0.35351711929764745
Energy: 0.2980751531959389
Energy: 0.2976259371425851
Energy: 0.2980751531967845
Energy: 0.3406454239220001
Energy: 0.30695759320714505
Energy: 0.3008344582150795
Energy: 0.30695759320714505
Energy: 0.34769921773456625
Energy: 0.297804628483292
Energy: 0.3270583936013482
Energy: 0.2978046284811781
Energy: 0.34584493364993174
Energy: 0.3426150845764598
Energy: 0.3642396479852262
Energy: 0.34261508457603707
Energy: 0.3348540839929253
Energy: 0.3003622388693535
Energy: 0.3160304396652116
Energy: 0.3003622388676624
Energy: 0.3362314728697945
Energy: 0.29724186279739795
Energy: 0.31042342119750066
Energy: 0.2972418627969751
Energy: 0.3373946134704974
Energy: 0.3131251920462801
Energy: 0.3115209572421864
Energy: 0.3131251920462801
Energy: 0.3078160730358139
Energy: 0.31605402853709624
Energy: 0.3162419027310587
Energy: 0.31605402853709624
Energy: 0.30799442194461274
Energy: 0.31310919514018143
Energy: 0.3212916297519057
Energy: 0.31310919513891305
Energy: 0.30879993801870587
Energy: 0.3116616220252786
Energy: 0.3401125371884335
Energy: 0.3116616220248558
Energy: 0.3069889699160861
Energy: 0.31289348317617877
Energy: 0.30243119389512657
Energy: 0.31289348317660154
Energy: 0.3089526103924971
Energy: 0.3148958900704025
Energy: 0.3200355781097753
Energy: 0.3148958900716708
Energy: 0.3101440265836697
Energy: 0.30980897968665955
Energy: 0.36159021568785
Energy: 0.30980897968708226
Energy: 0.319726620490712
Energy: 0.31511224342851235
Energy: 0.30502480767253626
Energy: 0.31511224342978067
Energy: 0.3412677965323667
Energy: 0.2970151568680075
Energy: 0.30377894740989314
Energy: 0.29701515686758473
Energy: 0.3525198762134844
Energy: 0.2970793981656874
Energy: 0.29648417430478974
Energy: 0.2970793981656874
Energy: 0.34075166066340956
Energy: 0.29824390865460704
Energy: 0.300736352357072
Energy: 0.2982439086533387
Energy: 0.357087349659649
Energy: 0.29771565672697153
Energy: 0.30403665459535434
Energy: 0.2977156567273943
Energy: 0.3404196123605107
Energy: 0.338837436282199
Energy: 0.4405107644809132
Energy: 0.33883743628389007
Energy: 0.3277384848540417
Energy: 0.2979262575507426
Energy: 0.31713435539945983
Energy: 0.29792625755116536
Energy: 0.3268184389978634
Energy: 0.31938684656811733
Energy: 0.3260062853414822
Energy: 0.31938684656769456
Energy: 0.32734072709101586
Energy: 0.2971795637799432
Energy: 0.31034928091339736
Energy: 0.29717956377867494
Energy: 0.3440083165811748
Energy: 0.29745609455483896
Energy: 0.33511077771037423
Energy: 0.2974560945535707

minimum gb energy = 0.2960512586426269 eV
minimum distance =  3.06243282299501 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.2656222954558166
Energy: 0.2766456514675616
Energy: 0.29178551650013734
Energy: 0.2766456514674225
Energy: 0.266738269072594
Energy: 0.2785569146702874
Energy: 0.2812474152532793
Energy: 0.27855691466956745
Energy: 0.29300008842720876
Energy: 0.27276583642500285
Energy: 0.27502299411548725
Energy: 0.2727658364345013
Energy: 0.2742969701578789
Energy: 0.2800093249930753
Energy: 0.28074035647224693
Energy: 0.28000932499364795
Energy: 0.27135982806123854
Energy: 0.27881761622285484
Energy: 0.26640362702703785
Energy: 0.2788176162323533
Energy: 0.2807246422957734
Energy: 0.28090641690204016
Energy: 0.2666033241607604
Energy: 0.28090641690189294
Energy: 0.2748848327202535
Energy: 0.27858052699698266
Energy: 0.29205224240252475
Energy: 0.27858052699654906
Energy: 0.28127927600153124
Energy: 0.279685934920363
Energy: 0.27476067681954136
Energy: 0.27968593492051025
Energy: 0.26663911556949443
Energy: 0.28016988958338895
Energy: 0.27175145823068503
Energy: 0.2801698895830944

minimum gb energy = 0.2656222954558166 eV
minimum distance =  3.24413123846744 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.37754798769648945
Energy: 0.2755833546795408
Energy: 0.31476337135682514
Energy: 0.2755833546807389
Energy: 0.27530136824069207
Energy: 0.28289516907363527
Energy: 0.3232343272126804
Energy: 0.28289516907363527
Energy: 0.3226812051436285
Energy: 0.28916936878326505
Energy: 0.3236797212217342
Energy: 0.2891693687828657
Energy: 0.2897295485067421
Energy: 0.28295326538189075
Energy: 0.2899381869469363
Energy: 0.28295326538189075
Energy: 0.2908187633595492
Energy: 0.2838936608876137
Energy: 0.3280384468680013
Energy: 0.2838936608880131
Energy: 0.28466485384642115
Energy: 0.2838656180921205
Energy: 0.3278793786981636
Energy: 0.2838656180929192
Energy: 0.2833309036711225
Energy: 0.28268452003891964
Energy: 0.2898159968716889
Energy: 0.2826845200385203
Energy: 0.2835463264041619
Energy: 0.2992925030232514
Energy: 0.35075543678862653
Energy: 0.2992925030232514
Energy: 0.2855113602423899
Energy: 0.29726741272312857
Energy: 0.3510565296452242
Energy: 0.29726741272312857
Energy: 0.3345832643973124
Energy: 0.275699336111265
Energy: 0.2764114984487237
Energy: 0.2756993361084695
Energy: 0.28345285358414013
Energy: 0.27538496012089714
Energy: 0.27569439037225457
Energy: 0.2753849601204978
Energy: 0.3555480085386751
Energy: 0.27572477914572824
Energy: 0.2749365099950661
Energy: 0.27572477914572824
Energy: 0.34983751952282766
Energy: 0.29838974276664315
Energy: 0.2758130574510049
Energy: 0.29838974276584446
Energy: 0.28384385746919993
Energy: 0.29953400620785514
Energy: 0.32412857235350256
Energy: 0.29953400620785514
Energy: 0.2824652989119739
Energy: 0.2992857657938388
Energy: 0.32300490004200716
Energy: 0.2992857657934394
Energy: 0.2839583677824564
Energy: 0.28283793047875233
Energy: 0.27520897354440327
Energy: 0.282837930478353
Energy: 0.2941443709137096
Energy: 0.2825728171717183
Energy: 0.29313198454396183
Energy: 0.28257281717052024
Energy: 0.32339618521318914
Energy: 0.28275421800757206
Energy: 0.2740938242270742
Energy: 0.28275421800757206
Energy: 0.32343131162593436
Energy: 0.30004382352359266
Energy: 0.32315674374100734
Energy: 0.30004382352399195
Energy: 0.3223056315051939
Energy: 0.311321078916248
Energy: 0.2891127615257872
Energy: 0.311321078916248
Energy: 0.32793977658329604
Energy: 0.2837437566875287
Energy: 0.28927176184455516
Energy: 0.28374375668712937
Energy: 0.32810121553533494
Energy: 0.285642068913072
Energy: 0.2844860359729337
Energy: 0.2856420689134713
Energy: 0.33858406727399715
Energy: 0.2829887276174055
Energy: 0.28356432852194924
Energy: 0.28298872761820415
Energy: 0.3510211393829381
Energy: 0.2993824122717811
Energy: 0.28308035301242995
Energy: 0.2993824122717811
Energy: 0.3522863376233766
Energy: 0.275152003472659
Energy: 0.28354381693150826
Energy: 0.27515200347225965
Energy: 0.2762253016762463
Energy: 0.27489439361172585
Energy: 0.33445172183745736
Energy: 0.27489439361332324
Energy: 0.27537191926380467
Energy: 0.27532474428067943
Energy: 0.285670382618386
Energy: 0.27532474427988074
Energy: 0.27710077136122924
Energy: 0.27510859353919603
Energy: 0.2903356667991541
Energy: 0.27510859353919603
Energy: 0.2767396573222086
Energy: 0.31135929198458884
Energy: 0.3501884691996239
Energy: 0.31135929198458884
Energy: 0.3232621153868565
Energy: 0.2987274122444319
Energy: 0.3273174117896936
Energy: 0.29872741224483124
Energy: 0.32342176787096544
Energy: 0.2994507259141384
Energy: 0.2829815665769233
Energy: 0.2994507259133397
Energy: 0.2753772618205907
Energy: 0.28339594798104206
Energy: 0.28289924018243623
Energy: 0.28339594798064277
Energy: 0.29360824456971285
Energy: 0.2831046490067523
Energy: 0.2908529214515169
Energy: 0.2831046489899794

minimum gb energy = 0.2740938242270742 eV
minimum distance =  3.0781125964985 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.4312760722934985
Energy: 0.27188955866540726
Energy: 0.3124004561709378
Energy: 0.2718895586918991
Energy: 0.2751992905534233
Energy: 0.2751752026581265
Energy: 0.28794583237444554
Energy: 0.27517520265757434
Energy: 0.28918965755236953
Energy: 0.27670911554325756
Energy: 0.28723841518422427
Energy: 0.2767091155421532
Energy: 0.30578289520510044
Energy: 0.2771943769181625
Energy: 0.28774122523739626
Energy: 0.27719437691871474
Energy: 0.2951486854801151
Energy: 0.277154469391265
Energy: 0.30904748081242933
Energy: 0.277154469391265
Energy: 0.28796636572261813
Energy: 0.27707587975858733
Energy: 0.3089492262081583
Energy: 0.27707587975803516
Energy: 0.27668259128855577
Energy: 0.2767021013793204
Energy: 0.2887299101109415
Energy: 0.27670210137821605
Energy: 0.2793058640762172
Energy: 0.2771345042434003
Energy: 0.2672038448404022
Energy: 0.2771345042434003
Energy: 0.27732219568158045
Energy: 0.2967944085403919
Energy: 0.26726633920781945
Energy: 0.29679440854094413
Energy: 0.26741670680599744
Energy: 0.26117353768920376
Energy: 0.28847465066438127
Energy: 0.26117353768920376
Energy: 0.2776389214131417
Energy: 0.2640201300338533
Energy: 0.2883264952071068
Energy: 0.2640201300349576
Energy: 0.2628530640820084
Energy: 0.26135876759258525
Energy: 0.28630851794647244
Energy: 0.26135876759148086
Energy: 0.26324481624166973
Energy: 0.26181102984229326
Energy: 0.28790260928252476
Energy: 0.26181102984394977
Energy: 0.2776725240457177
Energy: 0.2607532580838861
Energy: 0.2931897238521202
Energy: 0.26075325808278177
Energy: 0.30564065877739743
Energy: 0.26406004245085307
Energy: 0.29421497430630517
Energy: 0.26406004245085307
Energy: 0.30636138890552544
Energy: 0.277393016769134
Energy: 0.27495120965410114
Energy: 0.27739301676804223
Energy: 0.2959249532545302
Energy: 0.29563621330022083
Energy: 0.3100747718420919
Energy: 0.29563621330077305
Energy: 0.2782236022654373
Energy: 0.2770551650926065
Energy: 0.30909807953820845
Energy: 0.2770551650926065
Energy: 0.27695913284469675
Energy: 0.27728036014233903
Energy: 0.2672103730550848
Energy: 0.27728036014344337
Energy: 0.27775156572801457
Energy: 0.2779788775302713
Energy: 0.26720759026906066
Energy: 0.2779788775308234
Energy: 0.26739460287857614
Energy: 0.2926635049656359
Energy: 0.2750341393162808
Energy: 0.2926635049656359
Energy: 0.26829699228146686
Energy: 0.274656052123656
Energy: 0.27493688230515945
Energy: 0.274656052123656
Energy: 0.27812208674454686
Energy: 0.2746930739966276
Energy: 0.27482169608873774
Energy: 0.2746930739966276
Energy: 0.2741015980084728
Energy: 0.2746203543494479
Energy: 0.2746462238653745
Energy: 0.2746203543511045

minimum gb energy = 0.26075325808278177 eV
minimum distance =  3.07497440192031 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.4202261622029397
Energy: 0.2689826202537295
Energy: 0.3108863864811094
Energy: 0.2689826202527056
Energy: 0.2751994751892082
Energy: 0.27232641348931563
Energy: 0.30773214497818585
Energy: 0.2723264134896569
Energy: 0.3352031959217218
Energy: 0.3018632643098262
Energy: 0.30650093970632675
Energy: 0.3018632643101674
Energy: 0.3371176742374191
Energy: 0.28926997154327466
Energy: 0.28921546423699707
Energy: 0.28926997154225076
Energy: 0.30834892783978957
Energy: 0.26650882856631525
Energy: 0.27294243338553903
Energy: 0.2665088285659739
Energy: 0.27231242688658097
Energy: 0.26675045515966256
Energy: 0.3088586053402787
Energy: 0.26675045515966256
Energy: 0.2663317693159525
Energy: 0.26658713833896674
Energy: 0.29034369101139457
Energy: 0.26658713833862546
Energy: 0.26811112393459435
Energy: 0.26635040098174045
Energy: 0.2648382510920201
Energy: 0.26635040098242296
Energy: 0.3073276803341838
Energy: 0.2658064405665828
Energy: 0.33576124921356737
Energy: 0.2658064405662415
Energy: 0.30865420590600895
Energy: 0.2714819615554581
Energy: 0.30889080205679575
Energy: 0.2714819615561407
Energy: 0.30704558420728084
Energy: 0.29002092448292344
Energy: 0.2745182598930636
Energy: 0.2900209244832648
Energy: 0.2729814149945638
Energy: 0.2721639980226164
Energy: 0.31538956170689275
Energy: 0.2721639980215925
Energy: 0.27301135382785896
Energy: 0.27060719645176906
Energy: 0.2707692406706148
Energy: 0.27060719639070935
Energy: 0.27311868490617575
Energy: 0.271290669870007
Energy: 0.27242106515090175
Energy: 0.271290669870007
Energy: 0.33745029770897556
Energy: 0.2717405355861106
Energy: 0.2726519173304359
Energy: 0.271740535585428
Energy: 0.26775143645308797
Energy: 0.2853773090050084
Energy: 0.2732524236654334
Energy: 0.2853773090039845
Energy: 0.2726745787741582
Energy: 0.27268098576900945
Energy: 0.3131837769807483
Energy: 0.27268098576900945
Energy: 0.2711607784182226
Energy: 0.27089095046279266
Energy: 0.30698859133092166
Energy: 0.2708909504631184
Energy: 0.27270532772690204
Energy: 0.2716459469735946
Energy: 0.33744254607423596
Energy: 0.2716459469739359
Energy: 0.2895442934456295
Energy: 0.27202223099323913
Energy: 0.26828973787164506
Energy: 0.2720222310618228
Energy: 0.30684620157039455
Energy: 0.27204814096354984
Energy: 0.2725187084825227
Energy: 0.2720481409645737
Energy: 0.3066039742107434
Energy: 0.3002221390855739
Energy: 0.3348252368870379
Energy: 0.30022213908455003
Energy: 0.2900862692036213
Energy: 0.26602410708826335
Energy: 0.33597990872462097
Energy: 0.2660241070879221
Energy: 0.2728420636081965
Energy: 0.26677245649752984
Energy: 0.2698975350459293
Energy: 0.26677245649650594
Energy: 0.2713614245345776
Energy: 0.26625465532673664
Energy: 0.2708676616092024
Energy: 0.2662546553270779
Energy: 0.2895638635214947
Energy: 0.26668542258334604
Energy: 0.26548250807384316
Energy: 0.2666854225830047
Energy: 0.26475602335818804
Energy: 0.2664538717756822
Energy: 0.26939019215460236
Energy: 0.2664538717732932
Energy: 0.34103547239244647
Energy: 0.26537986344988657
Energy: 0.30710272761065677
Energy: 0.26537986344988657
Energy: 0.3071040852393608
Energy: 0.2711620314715232
Energy: 0.30806108929313464
Energy: 0.27116203147118195
Energy: 0.27542697034851765
Energy: 0.28990178285165197
Energy: 0.3067955669587292
Energy: 0.2899017828502868
Energy: 0.31565200779490854
Energy: 0.2726656129720674
Energy: 0.2730622518960682
Energy: 0.27266561297240866
Energy: 0.28074988269107753
Energy: 0.28347026552381743
Energy: 0.2730246248830361
Energy: 0.2834702655241587
Energy: 0.27164386207107016
Energy: 0.2707494845256266
Energy: 0.2734807501451391
Energy: 0.27074948452596787
Energy: 0.27290395423689734
Energy: 0.27175590044854386
Energy: 0.3388299262167075
Energy: 0.27175590044956777
Energy: 0.2729434727253218
Energy: 0.2852328506200248
Energy: 0.27088841648266754
Energy: 0.2852328506186596
Energy: 0.38139344015429877
Energy: 0.2722514358185571
Energy: 0.27223469020442437
Energy: 0.27225143581958094
Energy: 0.27315239383282075
Energy: 0.2711474458948115
Energy: 0.27051601985742685
Energy: 0.27114744589549417
Energy: 0.33590664292573164
Energy: 0.27201310555782193
Energy: 0.28116484960321875
Energy: 0.27201310555782193

minimum gb energy = 0.26475602335818804 eV
minimum distance =  3.08787589245574 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.43866928327133065
Energy: 0.2581837179211278
Energy: 0.24754643828340686
Energy: 0.2581837179215743
Energy: 0.24196406651524785
Energy: 0.24668543411402724
Energy: 0.25887824335185666
Energy: 0.24668543411349958
Energy: 0.24191562293168095
Energy: 0.26727592661568106
Energy: 0.25967570229625125
Energy: 0.2672759266155086
Energy: 0.2419626454528007
Energy: 0.2674879291370767
Energy: 0.2576410163268306
Energy: 0.2674879291366302
Energy: 0.25753740949827864
Energy: 0.2477960726427071
Energy: 0.2797740273546539
Energy: 0.24779607264288972
Energy: 0.2476659753944352
Energy: 0.24692343697389274
Energy: 0.2789236160287101
Energy: 0.2469234369738014
Energy: 0.24732660497628126
Energy: 0.2478070857158104
Energy: 0.2582220638461109
Energy: 0.24780708571562773
Energy: 0.24803861167715813
Energy: 0.246564036565413
Energy: 0.24224801494882495
Energy: 0.2465640365658595
Energy: 0.2481271802323617
Energy: 0.24695639652675289
Energy: 0.24216645711190662
Energy: 0.2469563965268442
Energy: 0.2599800684293915
Energy: 0.26781306486761003
Energy: 0.25853409312692277
Energy: 0.26781306486742734
Energy: 0.25802900490206615
Energy: 0.26753819940620577
Energy: 0.2417894860176572
Energy: 0.26753819940611445
Energy: 0.2802858474188266
Energy: 0.2474629180056131
Energy: 0.2576925212819786
Energy: 0.2474629180056131
Energy: 0.2788414650168828
Energy: 0.24803137863328348
Energy: 0.24715428654316643
Energy: 0.24803137863328348
Energy: 0.25792048320549626
Energy: 0.2479145654155692
Energy: 0.24785079386592823
Energy: 0.24791456541575183
Energy: 0.24204524649357653
Energy: 0.24804805461849858
Energy: 0.2473292190165915
Energy: 0.24804805461823476

minimum gb energy = 0.2417894860176572 eV
minimum distance =  3.12685203561349 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.39189535185096486
Energy: 0.2507628448415251
Energy: 0.2947494218918729
Energy: 0.250762844842648
Energy: 0.3468766624326275
Energy: 0.2429135003889683
Energy: 0.2801669217370377
Energy: 0.24291350038784548
Energy: 0.24420433449439283
Energy: 0.2423160013787947
Energy: 0.2778415047490203
Energy: 0.24231600138440895
Energy: 0.3104948397967997
Energy: 0.27504161635284596
Energy: 0.2800475836677903
Energy: 0.27504161635396884
Energy: 0.28018422199755916
Energy: 0.2675833247223906
Energy: 0.3312108524091934
Energy: 0.2675833247235134
Energy: 0.27963135470130224
Energy: 0.24284429636250895
Energy: 0.32986677944222204
Energy: 0.24284429635951466
Energy: 0.27848542788163655
Energy: 0.24234880527050687
Energy: 0.33750517395587587
Energy: 0.24234880526975827
Energy: 0.25037992379731466
Energy: 0.24311023859066858
Energy: 0.28268595472025865
Energy: 0.24311023859254
Energy: 0.24474924796939584
Energy: 0.24349585661056744
Energy: 0.2800178713407296
Energy: 0.24349585661056744
Energy: 0.2432854075842708
Energy: 0.24303214393582134
Energy: 0.2811854098960622
Energy: 0.2430321439354471
Energy: 0.24386796273760744
Energy: 0.24313602930632583
Energy: 0.3889657414490227
Energy: 0.24313602930595157
Energy: 0.2879480830253019
Energy: 0.2430015878656165
Energy: 0.27274094694651035
Energy: 0.24300158786711362
Energy: 0.2871993930174012
Energy: 0.263979845523249
Energy: 0.28797653297575054
Energy: 0.263979845523249
Energy: 0.33814105664070154
Energy: 0.24266859773201602
Energy: 0.30952179955938103
Energy: 0.24266859773126745
Energy: 0.2779676216593662
Energy: 0.24306283211238477
Energy: 0.2881289305634457
Energy: 0.24306283210940752
Energy: 0.27795141945335317
Energy: 0.24241628135909424
Energy: 0.24501594676294422
Energy: 0.24241628136020008
Energy: 0.33790742016211767
Energy: 0.24250440290518188
Energy: 0.24353517073851885
Energy: 0.24250440290593048
Energy: 0.256957625077672
Energy: 0.24359612798014865
Energy: 0.2468879799579201
Energy: 0.24359612797752866
Energy: 0.3145947977663466
Energy: 0.24331829722648995
Energy: 0.28546542821790416
Energy: 0.24331829722910997
Energy: 0.2797327909582396
Energy: 0.24227916558266507
Energy: 0.2775135172080606
Energy: 0.2422791655800451
Energy: 0.31119047324104687
Energy: 0.24328320016677896
Energy: 0.27912800850190966
Energy: 0.24328320016677896
Energy: 0.2802771341455811
Energy: 0.2680973992289026
Energy: 0.29413500315698765
Energy: 0.26809739922852827
Energy: 0.278825014771546
Energy: 0.24291685056472892
Energy: 0.29379317232029883
Energy: 0.24291685056734888
Energy: 0.24453267919589505
Energy: 0.24274083854739104
Energy: 0.28034995555834885
Energy: 0.24274083854514533
Energy: 0.27985003275078035
Energy: 0.24330623608173424
Energy: 0.28240059123687544
Energy: 0.2433062360836057
Energy: 0.24264472425282416
Energy: 0.24912807282230423
Energy: 0.28232185041552504
Energy: 0.24912807281818708
Energy: 0.24202325831659302
Energy: 0.24293587213150072
Energy: 0.3383047540070562
Energy: 0.24293587213262358
Energy: 0.2436185783743065
Energy: 0.2443425093386619
Energy: 0.24855252007582315
Energy: 0.24434250933716473
Energy: 0.2886503794586429
Energy: 0.2430704650960678
Energy: 0.31204444284727983
Energy: 0.24307046509494498
Energy: 0.2775166121562429
Energy: 0.2644474997461491
Energy: 0.2888991817277028
Energy: 0.2644474997465234
Energy: 0.2883418977172653
Energy: 0.2629357612528968
Energy: 0.3102433125098664
Energy: 0.2629357612528968
Energy: 0.277829711328841
Energy: 0.2433495380579569
Energy: 0.28840628954580316
Energy: 0.2433495380587055
Energy: 0.27804129587569915
Energy: 0.24335736475968114
Energy: 0.24285892531544134
Energy: 0.24335736475780972
Energy: 0.3381456209635891
Energy: 0.24219855424139178
Energy: 0.24222816975112202
Energy: 0.24219855424251463
Energy: 0.3141684097760427
Energy: 0.24356589778972068
Energy: 0.24507723533825276
Energy: 0.2435658977871007

minimum gb energy = 0.24202325831659302 eV
minimum distance =  3.11562202195444 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.3867434809900016
Energy: 0.24427993510431575
Energy: 0.23829902197239494
Energy: 0.2442799351043816
Energy: 0.25410099384742635
Energy: 0.23443609498398763
Energy: 0.2861540860069668
Energy: 0.23443609498366566
Energy: 0.2530895282523044
Energy: 0.23445998346203292
Energy: 0.2862994258193952
Energy: 0.23445998346313057
Energy: 0.2577256903178105
Energy: 0.27737905950122405
Energy: 0.28814161971686586
Energy: 0.27737905950180214
Energy: 0.28696545650792155
Energy: 0.26419865744473486
Energy: 0.3115818347491922
Energy: 0.26419865744428844
Energy: 0.28725330015441225
Energy: 0.22924194545613535
Energy: 0.2541776282815174
Energy: 0.2292419454556158
Energy: 0.2540797903958288
Energy: 0.22909249319038977
Energy: 0.3248407918035753
Energy: 0.22909249319000197
Energy: 0.256629347267878
Energy: 0.2242428870262829
Energy: 0.3114286218228868
Energy: 0.2242428870273732
Energy: 0.2537191457595274
Energy: 0.22903444569278888
Energy: 0.31145178545651125
Energy: 0.2290344456937548
Energy: 0.25133358890118684
Energy: 0.22406548402754672
Energy: 0.2238230070562096
Energy: 0.2240654840272247
Energy: 0.25080938343522047
Energy: 0.25093087217078996
Energy: 0.34428370466288943
Energy: 0.2509308721715656
Energy: 0.30234844336909716
Energy: 0.22418631254972932
Energy: 0.2238213355414232
Energy: 0.22418631254921706
Energy: 0.302380015748631
Energy: 0.22902570927202656
Energy: 0.2531336837881611
Energy: 0.22902570927138258
Energy: 0.2602769677872545
Energy: 0.25225998510446185
Energy: 0.2577580071364369
Energy: 0.25225998510517167
Energy: 0.3115818347490678
Energy: 0.2584043356136792
Energy: 0.22411771578585304
Energy: 0.25840433561464515
Energy: 0.2872497216816914
Energy: 0.2342548962917161
Energy: 0.2845479334491668
Energy: 0.23425489629210391
Energy: 0.2867403980634915
Energy: 0.2344478962654051
Energy: 0.25405907657400134
Energy: 0.2344478962650831
Energy: 0.3114286218233404
Energy: 0.25533929399567873
Energy: 0.24378898178376254
Energy: 0.2553392939955544
Energy: 0.3114517854560576
Energy: 0.23431806270225405
Energy: 0.23426905385799254
Energy: 0.23431806270205646
Energy: 0.28724804337967064
Energy: 0.23453337722524323
Energy: 0.23419938707281795
Energy: 0.23453337722524323

minimum gb energy = 0.2238213355414232 eV
minimum distance =  3.10835424000863 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.43978564697039735
Energy: 0.22231700613465205
Energy: 0.21682343705355475
Energy: 0.22231700613515487
Energy: 0.321433118219021
Energy: 0.21486677182619854
Energy: 0.25721345530102824
Energy: 0.21486677182619854
Energy: 0.2727261627367762
Energy: 0.2147604544283964
Energy: 0.25582740383118185
Energy: 0.2147604544283964
Energy: 0.32546639872481914
Energy: 0.23267079833125373
Energy: 0.30003738262632346
Energy: 0.23267079833125373
Energy: 0.3307997056154388
Energy: 0.24154735287619086
Energy: 0.29622946327872995
Energy: 0.24154735287518517
Energy: 0.3115134725951754
Energy: 0.24526387127927882
Energy: 0.29935971387498456
Energy: 0.24526387128028448
Energy: 0.3116291114137733
Energy: 0.21171408158766308
Energy: 0.2865266199727019
Energy: 0.2117140815881659
Energy: 0.25117988620890985
Energy: 0.25302477666783946
Energy: 0.27450890490766205
Energy: 0.253024776669348
Energy: 0.25561724109855893
Energy: 0.21190174952991422
Energy: 0.2862593166677196
Energy: 0.2119017495294114
Energy: 0.2567106810762894
Energy: 0.2121313296566992
Energy: 0.2865611429037766
Energy: 0.212131329657202
Energy: 0.22997438542472717
Energy: 0.20902378654310289
Energy: 0.38502869814594975
Energy: 0.20902378327361162
Energy: 0.22970824599603124
Energy: 0.2122578329050891
Energy: 0.2863497825786732
Energy: 0.2122578329050891
Energy: 0.22967051627333154
Energy: 0.2093260158346979
Energy: 0.28628417131044887
Energy: 0.2093260158341951
Energy: 0.27221031636384
Energy: 0.27207726965580015
Energy: 0.3001945105850198
Energy: 0.27207726965630297
Energy: 0.27082792897851043
Energy: 0.20896314707063673
Energy: 0.28734585237226606
Energy: 0.20896314707013391
Energy: 0.2719251648291082
Energy: 0.209271402260803
Energy: 0.2714051371712009
Energy: 0.20927140226030017
Energy: 0.29154245327432254
Energy: 0.20947929362337023
Energy: 0.31335697954648706
Energy: 0.20947929362387308
Energy: 0.2751891864065723
Energy: 0.23937055472849847
Energy: 0.28655369167222805
Energy: 0.23937055472849847
Energy: 0.3240774585391853
Energy: 0.2428720948305783
Energy: 0.3117698961040091
Energy: 0.24287209483158398
Energy: 0.2907052571483116
Energy: 0.2617534755772061
Energy: 0.31178411780239945
Energy: 0.2617534755762004
Energy: 0.376803496149418
Energy: 0.2144545147607206
Energy: 0.2548412386706379
Energy: 0.21445451476122346
Energy: 0.2908393849333447
Energy: 0.21454139023085095
Energy: 0.2317397892896649
Energy: 0.21454139023185662
Energy: 0.27511405667057015
Energy: 0.2150275018239995
Energy: 0.2545999519104033
Energy: 0.2150275018239995
Energy: 0.29209898514834437
Energy: 0.2148233975692543
Energy: 0.2144068704688466
Energy: 0.21482339757025998
Energy: 0.33054871502666455
Energy: 0.21452146327918023
Energy: 0.215021241085539
Energy: 0.21452146327968308
Energy: 0.3210575143021154
Energy: 0.21730690663504038
Energy: 0.21490118536178332
Energy: 0.21730690663302904

minimum gb energy = 0.20896314707013391 eV
minimum distance =  3.12876262670886 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.44693523280084746
Energy: 0.20823665545153702
Energy: 0.20282150381316325
Energy: 0.20823665544246767
Energy: 0.32476084461360377
Energy: 0.19423360790515262
Energy: 0.2289530904465756
Energy: 0.19423360790474037
Energy: 0.3234795347904015
Energy: 0.19407672453564712
Energy: 0.22802319198450774
Energy: 0.19407672453564712
Energy: 0.32657212525934715
Energy: 0.19465707402282698
Energy: 0.26397876119515784
Energy: 0.19465707402282698
Energy: 0.32520225516424306
Energy: 0.19365485136939908
Energy: 0.29341618378686357
Energy: 0.19365485136981134
Energy: 0.3242517488700688
Energy: 0.1936875412481279
Energy: 0.2939146240982487
Energy: 0.1936875412481279
Energy: 0.3236505114960928
Energy: 0.22144377800088805
Energy: 0.3250266035285165
Energy: 0.22144377800088805
Energy: 0.29230162548100186
Energy: 0.21899167334429412
Energy: 0.29573496958292006
Energy: 0.21899167334429412
Energy: 0.26292074057337883
Energy: 0.1937894260240666
Energy: 0.3251241256981039
Energy: 0.19378942602530336
Energy: 0.2631922443663947
Energy: 0.1936162100098105
Energy: 0.32317054949074775
Energy: 0.1936162100098105
Energy: 0.22762294984133133
Energy: 0.1938982602622623
Energy: 0.3969102545429796
Energy: 0.19389826026185009
Energy: 0.22661169959532787
Energy: 0.19373384815662759
Energy: 0.3268010272219823
Energy: 0.19373384815662759
Energy: 0.2286876295703986
Energy: 0.19444679664278722
Energy: 0.3410440018991201
Energy: 0.19444679664319947
Energy: 0.19344963665984316
Energy: 0.1940197466994154
Energy: 0.30418476582583304
Energy: 0.1940197466994154
Energy: 0.1941016008026539
Energy: 0.19366932323526445
Energy: 0.32537399011436846
Energy: 0.19366932323526445
Energy: 0.19327424125869197
Energy: 0.19437572972241565
Energy: 0.3265256071671317
Energy: 0.19437572972241565
Energy: 0.22939219666124605
Energy: 0.19447269491507524
Energy: 0.32676263349622503
Energy: 0.19447269491466299
Energy: 0.22646941977761717
Energy: 0.19385430872626616
Energy: 0.32656147162846233
Energy: 0.19385430872709067
Energy: 0.22626453144254888
Energy: 0.19431300349207486
Energy: 0.3264254149485023
Energy: 0.19431300349166264
Energy: 0.29216420555852957
Energy: 0.19464167340484267
Energy: 0.32727005756118754
Energy: 0.19464167340484267
Energy: 0.3034872234228487
Energy: 0.193774270234445
Energy: 0.32502398455999726
Energy: 0.19377427023609392
Energy: 0.292146452934563
Energy: 0.19381813800041833
Energy: 0.323805637246191
Energy: 0.19381813800124284
Energy: 0.32518237416715834
Energy: 0.22149206272548785
Energy: 0.3233958018505998
Energy: 0.22149206272507563
Energy: 0.2957840924061801
Energy: 0.19388951219098177
Energy: 0.29050396130634715
Energy: 0.19388951219056955
Energy: 0.3250884334893676
Energy: 0.19370917014662406
Energy: 0.26035272008332594
Energy: 0.19370917014826367
Energy: 0.32848922387056684
Energy: 0.19453520809713729
Energy: 0.29029184402070635
Energy: 0.19453520809713729
Energy: 0.2953456347828239
Energy: 0.19460028229979984
Energy: 0.22728235262484003
Energy: 0.19460028229979984
Energy: 0.32494570197259887
Energy: 0.19382955885805847
Energy: 0.22625559607422546
Energy: 0.19382955885805847
Energy: 0.3038959640034523
Energy: 0.1944194071062553
Energy: 0.22653193661175328
Energy: 0.19441940710666755
Energy: 0.3040964272495467
Energy: 0.19445453406267263
Energy: 0.19348874309022737
Energy: 0.19445453406308488
Energy: 0.3263457193401646
Energy: 0.19360162395735822
Energy: 0.19387455939169293
Energy: 0.19360162395735822
Energy: 0.327018220390138
Energy: 0.19410240630164546
Energy: 0.1934963582446807
Energy: 0.19410240630205772

minimum gb energy = 0.19327424125869197 eV
minimum distance =  3.13632297809238 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.41550649313044385
Energy: 0.19801595127456934
Energy: 0.19996925034456545
Energy: 0.1980159512284872
Energy: 0.35071218820078165
Energy: 0.1883108843287286
Energy: 0.21577446737011483
Energy: 0.1883108843287286
Energy: 0.3111954792149573
Energy: 0.18798925955805051
Energy: 0.21529064034778536
Energy: 0.18798925955457413
Energy: 0.3140585366918615
Energy: 0.20067994506130077
Energy: 0.26938271689004
Energy: 0.20067994505606238
Energy: 0.3452997310968584
Energy: 0.18761381171918645
Energy: 0.2701367847514578
Energy: 0.1876138117156942
Energy: 0.35402002025777946
Energy: 0.18776707123275554
Energy: 0.27153836622097505
Energy: 0.18776707122926328
Energy: 0.31485414576923765
Energy: 0.18789644140461317
Energy: 0.32020812517766056
Energy: 0.18789644140391468
Energy: 0.3216324433145189
Energy: 0.18796369725721374
Energy: 0.2921604183933702
Energy: 0.18796369725651527
Energy: 0.3097911639500061
Energy: 0.2154103767125641
Energy: 0.3201109700841075
Energy: 0.21541037671326255
Energy: 0.30938634190999054
Energy: 0.18649896033308633
Energy: 0.35836014345106715
Energy: 0.18649896033376892
Energy: 0.2693180129309988
Energy: 0.18743869880015948
Energy: 0.368781066783381
Energy: 0.18743869880155642
Energy: 0.25571830388566164
Energy: 0.1864271872672595
Energy: 0.3438230927997415
Energy: 0.18642718726446567
Energy: 0.26905472761444543
Energy: 0.18649733041732797
Energy: 0.33258716271903943
Energy: 0.18649733041872485
Energy: 0.21613052579374592
Energy: 0.1879598300729591
Energy: 0.337445210623874
Energy: 0.18795983007365757
Energy: 0.21613873931655114
Energy: 0.1861805827515502
Energy: 0.34210864811205066
Energy: 0.1861805827505025
Energy: 0.21443029499810293
Energy: 0.1859541004771382
Energy: 0.3364998636598107
Energy: 0.18595410047888436
Energy: 0.199308363234278
Energy: 0.18634315534224621
Energy: 0.3365013985389193
Energy: 0.18634315534329388
Energy: 0.19842669257404208
Energy: 0.18615949680152852
Energy: 0.34300174948566253
Energy: 0.1861594967997824
Energy: 0.1999069990015612
Energy: 0.18658672440204302
Energy: 0.3078293084386248
Energy: 0.1865867244016938
Energy: 0.22870317205518415
Energy: 0.18731994642971464
Energy: 0.3429289111171648
Energy: 0.1873199464293654
Energy: 0.2250828068662541
Energy: 0.1863262647821796
Energy: 0.3427406991148951
Energy: 0.18632626478427497
Energy: 0.2256190365824429
Energy: 0.18670423052058666
Energy: 0.3144316656767171
Energy: 0.18670423051849128
Energy: 0.27300966509434654
Energy: 0.18589854983781604
Energy: 0.3146547739506917
Energy: 0.18589854983397455
Energy: 0.2724049571990704
Energy: 0.18615884524887846
Energy: 0.3416874173715373
Energy: 0.18615884524818002
Energy: 0.269966469318492
Energy: 0.18784214956808545
Energy: 0.3132243015170392
Energy: 0.18784214956564085
Energy: 0.31770104058144805
Energy: 0.186203909951941
Energy: 0.3412225994258936
Energy: 0.18620390995089334
Energy: 0.28676330572295483
Energy: 0.21478707380164164
Energy: 0.32024049554736
Energy: 0.21478707379954629
Energy: 0.3190770142506782
Energy: 0.21258142802598531
Energy: 0.3089772726040298
Energy: 0.2125814280256361
Energy: 0.3349406323027317
Energy: 0.2350301963011935
Energy: 0.3186875219094802
Energy: 0.23503019630049507
Energy: 0.3336879533604853
Energy: 0.18785186962287595
Energy: 0.27038381583443044
Energy: 0.18785186961973294
Energy: 0.3449396372141826
Energy: 0.18760914972095533
Energy: 0.2556929569445568
Energy: 0.1876091497258445
Energy: 0.33732386281939375
Energy: 0.1886372574172586
Energy: 0.27022396796116527
Energy: 0.1886372574144648
Energy: 0.3327529463674634
Energy: 0.1880801086330407
Energy: 0.21576200159419326
Energy: 0.18808010863129457
Energy: 0.34400130012284
Energy: 0.18786690344462412
Energy: 0.21523832498306744
Energy: 0.18786690344637022
Energy: 0.33691657502669875
Energy: 0.2144163500410375
Energy: 0.19769029694408807
Energy: 0.21441635003195758
Energy: 0.350134279405615
Energy: 0.18856424781490497
Energy: 0.18954084716157724
Energy: 0.1885642478124604
Energy: 0.3733454492186578
Energy: 0.18881950961074218
Energy: 0.18997825558379328
Energy: 0.18881950961283753

minimum gb energy = 0.18589854983397455 eV
minimum distance =  3.13934800182802 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.41215583470294165
Energy: 0.17308740977133005
Energy: 0.16816651064868893
Energy: 0.17308740977133005
Energy: 0.35749657252524303
Energy: 0.164172811436484
Energy: 0.18593699617308643
Energy: 0.16417281143678686
Energy: 0.31421947902797503
Energy: 0.1640175047440982
Energy: 0.18576257626746445
Energy: 0.16401750474440108
Energy: 0.32175322566583914
Energy: 0.16319938779630472
Energy: 0.23793842998065728
Energy: 0.16319938779600185
Energy: 0.3507647896261137
Energy: 0.1632072777781579
Energy: 0.2391504598453343
Energy: 0.1632072777784608
Energy: 0.3135048192589902
Energy: 0.1634482413200438
Energy: 0.23932601802056402
Energy: 0.16344824131974092
Energy: 0.3133697978467434
Energy: 0.16367993886744564
Energy: 0.28659538142663404
Energy: 0.16367993886774854
Energy: 0.32814899304565065
Energy: 0.16305556654060954
Energy: 0.2427819896988944
Energy: 0.1630555665415182
Energy: 0.3083467657020101
Energy: 0.16309713674962353
Energy: 0.28851690536446845
Energy: 0.16309713672691403
Energy: 0.30843533606019763
Energy: 0.25633437338559617
Energy: 0.32865139336914967
Energy: 0.2563343733852932
Energy: 0.28705218171620533
Energy: 0.1631134128127996
Energy: 0.3059229834879118
Energy: 0.16311341281582845
Energy: 0.26860153932066855
Energy: 0.16306015045209257
Energy: 0.3298794726927828
Energy: 0.16306015045178968
Energy: 0.28737951902208775
Energy: 0.16319479828181357
Energy: 0.33150660291830714
Energy: 0.16319479828211644
Energy: 0.23840885679688614
Energy: 0.16409130586649154
Energy: 0.2974578494908788
Energy: 0.16409130586588574
Energy: 0.2107603749751492
Energy: 0.1631118069943469
Energy: 0.3495709678462884
Energy: 0.1631118069943469
Energy: 0.23957184485642907
Energy: 0.16405953684324565
Energy: 0.3332444560287694
Energy: 0.16405953684354851
Energy: 0.18617081367449942
Energy: 0.16304317557257303
Energy: 0.3334541241600682
Energy: 0.16304317557227016
Energy: 0.18519866413766195
Energy: 0.16345647170020222
Energy: 0.35076202577174526
Energy: 0.16345647169989935
Energy: 0.1863722330786253
Energy: 0.16326782141545831
Energy: 0.33376995340195165
Energy: 0.16326782141545831
Energy: 0.16431798397521544
Energy: 0.163512286893947
Energy: 0.3334614356754249
Energy: 0.163512286893947
Energy: 0.1634153931384077
Energy: 0.1630732220635483
Energy: 0.3510087260446274
Energy: 0.16307322206324543
Energy: 0.1633560740292892
Energy: 0.16300061490513007
Energy: 0.321122200435877
Energy: 0.16300061490452428
Energy: 0.18749891541078575
Energy: 0.1638407036697579
Energy: 0.3140885647829033
Energy: 0.1638407036691521
Energy: 0.1867936085245992
Energy: 0.16347800467078905
Energy: 0.35066617664192296
Energy: 0.16347800467078905
Energy: 0.18710190710093627
Energy: 0.16308020005153442
Energy: 0.32173743900285845
Energy: 0.16308020005123153
Energy: 0.24021763712814562
Energy: 0.16363782098775978
Energy: 0.3499421113016416
Energy: 0.16363782098988
Energy: 0.239622708434675
Energy: 0.1632301952048017
Energy: 0.35068164461913093
Energy: 0.1632301952044988
Energy: 0.26601691792322457
Energy: 0.16398374027407245
Energy: 0.31284594329937787
Energy: 0.16398374027346668
Energy: 0.28828528952228205
Energy: 0.16304576521466743
Energy: 0.3501517360340474
Energy: 0.16304576521436454
Energy: 0.2880954305513984
Energy: 0.16318231021670362
Energy: 0.3099507452888402
Energy: 0.1631823102173094
Energy: 0.3080764205133567
Energy: 0.19342784264530205
Energy: 0.27351877011978687
Energy: 0.1934278426443934
Energy: 0.29092214679145234
Energy: 0.19325851525485022
Energy: 0.30807871343684123
Energy: 0.19325851525303292
Energy: 0.3280944499564932
Energy: 0.16302315180716295
Energy: 0.26819641706684966
Energy: 0.16302315180746585
Energy: 0.3502237642367267
Energy: 0.16304834886653538
Energy: 0.26795696200203156
Energy: 0.16304834886623248
Energy: 0.2973489539045635
Energy: 0.1630165036106075
Energy: 0.23801089245319906
Energy: 0.16301650356731553
Energy: 0.3494296734460797
Energy: 0.16316663069122703
Energy: 0.23966028513889234
Energy: 0.16316663069122703
Energy: 0.31264193008867613
Energy: 0.16370587661905722
Energy: 0.23860494027227405
Energy: 0.163705876619663
Energy: 0.33317488780299387
Energy: 0.16323634265345718
Energy: 0.18769313863403275
Energy: 0.1632363426528514
Energy: 0.3498727004353487
Energy: 0.16335347592772262
Energy: 0.18657067244757153
Energy: 0.16335347592802552
Energy: 0.3333450032235267
Energy: 0.16388014943465676
Energy: 0.18640658503015967
Energy: 0.1638801494343539
Energy: 0.34153206446998674
Energy: 0.16331711710903188
Energy: 0.16336585782050034
Energy: 0.16331711710903188
Energy: 0.35082685714717443
Energy: 0.1629758709334081
Energy: 0.16337405514358808
Energy: 0.1629758709334081
Energy: 0.3209501180798277
Energy: 0.1631228053720155
Energy: 0.16321239898715556
Energy: 0.16312280537292417

minimum gb energy = 0.1629758709334081 eV
minimum distance =  3.14711965667758 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.004677216192537285
Energy: 0.004834693528126826
Energy: 0.29466299339097707
Energy: 0.0048346935283596695
Energy: 0.004736266418392357
Energy: 0.0356384859184956
Energy: 0.20440263095348168
Energy: 0.03563848591826275
Energy: 0.004906156405426657
Energy: 0.03546366809737435
Energy: 0.20353172392392546
Energy: 0.03546366809690866
Energy: 0.004770746303100438
Energy: 0.03567089567905409
Energy: 0.20220915927666974
Energy: 0.03567089567905409
Energy: 0.2022632100782839
Energy: 0.035542713644112156
Energy: 0.2041181542236063
Energy: 0.035542713644332063
Energy: 0.004732347541797344
Energy: 0.035551596185023855
Energy: 0.20333292838584546
Energy: 0.035551596185023855

minimum gb energy = 0.004677216192537285 eV
minimum distance =  3.46030293008809 Angstroms
sigma value = 1