Model name: model_name=EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000071525574
cohesive_energy=3.360264249995487
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.010348306611456639
Energy: 0.1257019916912995
Energy: 0.010485559310126694
Energy: 0.1257019916912995
Energy: 0.1257019916912995
Energy: 0.1096290692798147
Energy: 0.1257019916912995
Energy: 0.10962906928028664
Energy: 0.010485559310626412
Energy: 0.1257019916912995
Energy: 0.010348306611456639
Energy: 0.1257019916912995
Energy: 0.1257019916912995
Energy: 0.1096290692798147
Energy: 0.1257019916912995
Energy: 0.1096290692798147

minimum gb energy = 0.010348306611456639 eV
minimum distance =  2.75375732940243 Angstroms
sigma value = 1


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

Energy: 0.28272376127948634
Energy: 0.262884174788536
Energy: 0.3193373763192083
Energy: 0.262884174789142
Energy: 0.27269370719036395
Energy: 0.254703920995598
Energy: 0.2657893772768375
Energy: 0.254703920995598
Energy: 0.27369234955200505
Energy: 0.25750050894840393
Energy: 0.27054729345182627
Energy: 0.25750050894840393
Energy: 0.27064588918699795
Energy: 0.26082823628115986
Energy: 0.2762953739643026
Energy: 0.26082823628115986
Energy: 0.2699153780581956
Energy: 0.255226832708901
Energy: 0.2757684392002805
Energy: 0.255226832709507
Energy: 0.2832723568659897
Energy: 0.25585856001122653
Energy: 0.2840754669869728
Energy: 0.25585856001122653
Energy: 0.2672655061812486
Energy: 0.25154297228877065
Energy: 0.2657431230566297
Energy: 0.25154297228877065
Energy: 0.29560476235002137
Energy: 0.26138609294579346
Energy: 0.28567774090545595
Energy: 0.26138609294579346
Energy: 0.2774724119936717
Energy: 0.2710959147014836
Energy: 0.2652985739928631
Energy: 0.2710959147008775
Energy: 0.2822314870867689
Energy: 0.2597160731216747
Energy: 0.29974409801365604
Energy: 0.25971607312106865
Energy: 0.26598333548187525
Energy: 0.2536842612102104
Energy: 0.2833939369710153
Energy: 0.2536842612102104
Energy: 0.3163776489492033
Energy: 0.261786304397589
Energy: 0.2811968092466442
Energy: 0.261786304398195
Energy: 0.26585128971030586
Energy: 0.25091958983712803
Energy: 0.2821355795683909
Energy: 0.25091958983712803
Energy: 0.2710329763252818
Energy: 0.25934019771191913
Energy: 0.27419413310235624
Energy: 0.25934019771313127
Energy: 0.26547721889602593
Energy: 0.25496896017332893
Energy: 0.27532525098372435
Energy: 0.25496896017272286
Energy: 0.26700195213018774
Energy: 0.25345344531786995
Energy: 0.2674514459580724
Energy: 0.2534534453190821
Energy: 0.270689394145261
Energy: 0.25710740692480716
Energy: 0.28717750183349494
Energy: 0.2571074069235951
Energy: 0.2659044380719422
Energy: 0.2509762297972855
Energy: 0.27389757738475157
Energy: 0.2509762297972855
Energy: 0.31458896989272706
Energy: 0.2622463490265246
Energy: 0.2809765064515858
Energy: 0.2622463490271307
Energy: 0.265928235958336
Energy: 0.2641816118297804
Energy: 0.278587982364346
Energy: 0.2641816118297804
Energy: 0.28350878768797894
Energy: 0.2571075326767445
Energy: 0.2884326753248196
Energy: 0.2571075326767445
Energy: 0.28313544127735335
Energy: 0.2577375998867571
Energy: 0.26550215090471235
Energy: 0.25773759988554507
Energy: 0.32033837750156907
Energy: 0.2565701469907342
Energy: 0.2914924573757538
Energy: 0.2565701469907342
Energy: 0.28885934988375805
Energy: 0.25292505887913036
Energy: 0.29885092440123867
Energy: 0.25292505887913036
Energy: 0.28362977636183273
Energy: 0.25406830921225254
Energy: 0.269912529169745
Energy: 0.25406830921225254
Energy: 0.2683528869884685
Energy: 0.2571790595867227
Energy: 0.28046699724687446
Energy: 0.2571790595867227
Energy: 0.26477719893247936
Energy: 0.2535055245453718
Energy: 0.27700823913131284
Energy: 0.2535055245453718
Energy: 0.2844708145771202
Energy: 0.26358650496985586
Energy: 0.269980213002013
Energy: 0.26358650497046193
Energy: 0.27163125012301403
Energy: 0.2561542755453279
Energy: 0.2646921971305541
Energy: 0.2561542755453279
Energy: 0.2786245127482605
Energy: 0.2670289689578743
Energy: 0.31609642778605423
Energy: 0.26702896895666217
Energy: 0.2757951500239353
Energy: 0.25500934309936607
Energy: 0.26596969851846436
Energy: 0.25500934309936607
Energy: 0.27264769295527885
Energy: 0.25503820022358203
Energy: 0.2708634710851404
Energy: 0.25503820022358203
Energy: 0.2697360908930525
Energy: 0.2619187860116302
Energy: 0.2751623305794475
Energy: 0.2619187860122363

minimum gb energy = 0.25091958983712803 eV
minimum distance =  2.57315063492142 Angstroms
sigma value = 1


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

Energy: 0.2780980036753812
Energy: 0.2703268166416794
Energy: 0.3228325752157807
Energy: 0.2703268166409884
Energy: 0.29403529822412455
Energy: 0.25730784322892186
Energy: 0.26521488574720153
Energy: 0.2573078432282308
Energy: 0.29095541600239405
Energy: 0.27582923175129415
Energy: 0.27769015573755756
Energy: 0.27582923174853013
Energy: 0.2838398463514211
Energy: 0.27129958516011654
Energy: 0.2911988119083447
Energy: 0.2712995851621895
Energy: 0.2850353032719187
Energy: 0.2602309544727194
Energy: 0.2860248202871067
Energy: 0.2602309544713374
Energy: 0.32031345579017967
Energy: 0.2586054866138049
Energy: 0.28563496090449375
Energy: 0.2586054866138049
Energy: 0.2848701352044083
Energy: 0.26279708852879147
Energy: 0.2882610470906962
Energy: 0.2627970885301734
Energy: 0.29721778392642695
Energy: 0.26879361936106405
Energy: 0.2841795817911032
Energy: 0.268793619362446
Energy: 0.28358905820922137
Energy: 0.2663476953979176
Energy: 0.26525471361297254
Energy: 0.2663476953992996
Energy: 0.27810049480410376
Energy: 0.270154549518815
Energy: 0.3251796919597731
Energy: 0.270154549519506
Energy: 0.28614385175005164
Energy: 0.25858815202023133
Energy: 0.27356315047343127
Energy: 0.2585881520209223
Energy: 0.28807379987347953
Energy: 0.2614554799377548
Energy: 0.2778549310945832
Energy: 0.2614554799370638
Energy: 0.27201329094092747
Energy: 0.2605900553232982
Energy: 0.2824969392595151
Energy: 0.26059005532191626
Energy: 0.2778967408091522
Energy: 0.26066886030314795
Energy: 0.29539507856449787
Energy: 0.26066886030245695
Energy: 0.2881385150635741
Energy: 0.26145866994115086
Energy: 0.2767142352741812
Energy: 0.26145866993976885
Energy: 0.2862864623425137
Energy: 0.25857107873309015
Energy: 0.2655494852447907
Energy: 0.2585710787337812
Energy: 0.27806594723727307
Energy: 0.27012897699753674
Energy: 0.29431869665019644
Energy: 0.27012897699615473
Energy: 0.2836641389953597
Energy: 0.2661484510806538
Energy: 0.2651939362830729
Energy: 0.2661484510806538
Energy: 0.29714763810005046
Energy: 0.2688770871240957
Energy: 0.2881850961641436
Energy: 0.26887708712547775
Energy: 0.28491914070209734
Energy: 0.2628487073555842
Energy: 0.2983529370585936
Energy: 0.2628487073535111
Energy: 0.32019456916941663
Energy: 0.2586228079992269
Energy: 0.28513449185066125
Energy: 0.2586228079999179
Energy: 0.28482448360026114
Energy: 0.26051331638037367
Energy: 0.2818269610095521
Energy: 0.26051331637968267
Energy: 0.2838669004567577
Energy: 0.27125873085195745
Energy: 0.2800979917348312
Energy: 0.2712587308561034
Energy: 0.2843070441021673
Energy: 0.27585709123520513
Energy: 0.27066368514886086
Energy: 0.27585709123589613
Energy: 0.29408659409234095
Energy: 0.2573373268860307
Energy: 0.26547231552723954
Energy: 0.2573373268874127
Energy: 0.2780980036760722
Energy: 0.2703268166416794
Energy: 0.31988225582905394
Energy: 0.2703268166409884
Energy: 0.29403529822412455
Energy: 0.2573078432282308
Energy: 0.26521488574720153
Energy: 0.2573078432282308
Energy: 0.29095541600446695
Energy: 0.2758292317506031
Energy: 0.27769015573686656
Energy: 0.27582923174853013
Energy: 0.2838398463521121
Energy: 0.27129958516011654
Energy: 0.2911988119076536
Energy: 0.2712995851621895

minimum gb energy = 0.2573078432282308 eV
minimum distance =  2.57719023288348 Angstroms
sigma value = 25


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

Energy: 0.2937452968197389
Energy: 0.26583123818398013
Energy: 0.338796217230751
Energy: 0.2658312381847833
Energy: 0.2813879290699858
Energy: 0.26563527453936714
Energy: 0.28476216614035743
Energy: 0.26563527453936714
Energy: 0.29284211920929015
Energy: 0.28158757177751015
Energy: 0.2787815012940316
Energy: 0.2815875717767068
Energy: 0.27469947471194384
Energy: 0.2726177085931753
Energy: 0.28912605450294665
Energy: 0.2726177085931753
Energy: 0.29044523551618023
Energy: 0.2604776869783978
Energy: 0.2856604546135216
Energy: 0.2604776869783978
Energy: 0.32373009637615435
Energy: 0.28017034034196014
Energy: 0.28014315676311835
Energy: 0.28017034034115684
Energy: 0.282605523358834
Energy: 0.28161539993161905
Energy: 0.30203819759882217
Energy: 0.28161539993161905
Energy: 0.3741651634194299
Energy: 0.2665328525220028
Energy: 0.29722864250589576
Energy: 0.2665328525220028
Energy: 0.3009028295896071
Energy: 0.2605122920392048
Energy: 0.2813225169571766
Energy: 0.2605122920392048
Energy: 0.2768590059685827
Energy: 0.28204957622819654
Energy: 0.2893950454458647
Energy: 0.28204957622819654
Energy: 0.27949735700718603
Energy: 0.26048832451408055
Energy: 0.27810643328107115
Energy: 0.26048832451408055
Energy: 0.2970702028670898
Energy: 0.26150159615025353
Energy: 0.2762237536939657
Energy: 0.26150159615105684
Energy: 0.2787981928442778
Energy: 0.27339622096216704
Energy: 0.28166341432517183
Energy: 0.2733962209629703
Energy: 0.3012887096338358
Energy: 0.2870696967728117
Energy: 0.2844904750679862
Energy: 0.2870696967728117
Energy: 0.2970721209096042
Energy: 0.26610657626693013
Energy: 0.2899432978122698
Energy: 0.26610657626693013
Energy: 0.27333824925348077
Energy: 0.2822712825854583
Energy: 0.2904181860250219
Energy: 0.2822712825862615
Energy: 0.30121183276084407
Energy: 0.27396617974034365
Energy: 0.30881194690998587
Energy: 0.27396617974114695
Energy: 0.2890795336305246
Energy: 0.2602559021996241
Energy: 0.2797095277440529
Energy: 0.2602559021996241
Energy: 0.2825391059006902
Energy: 0.27440537598437037
Energy: 0.28190035375631156
Energy: 0.27440537598437037
Energy: 0.28607057294461635
Energy: 0.2723446076611552
Energy: 0.2811168512355352
Energy: 0.2723446076603519
Energy: 0.2843352013891052
Energy: 0.2658197263790655
Energy: 0.28314295558072483
Energy: 0.2658197263790655
Energy: 0.29389704796733634
Energy: 0.2688616670499242
Energy: 0.32096216675199074
Energy: 0.26886166705072745
Energy: 0.2792729373205209
Energy: 0.2649503079644598
Energy: 0.2738061416049305
Energy: 0.2649503079644598
Energy: 0.29385672993757
Energy: 0.27742902048675894
Energy: 0.27692532253311897
Energy: 0.27742902048675894
Energy: 0.2745780952468524
Energy: 0.2707967523502191
Energy: 0.2889914267598771
Energy: 0.2707967523510224

minimum gb energy = 0.2602559021996241 eV
minimum distance =  2.56762444185212 Angstroms
sigma value = 9


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

Energy: 0.27630573467024894
Energy: 0.27574760044838165
Energy: 0.34230190788583137
Energy: 0.27574760044742347
Energy: 0.29358481741168624
Energy: 0.2642678486412915
Energy: 0.26877192459796595
Energy: 0.2642678486422498
Energy: 0.2944492635789878
Energy: 0.28090000622123246
Energy: 0.27829531313357486
Energy: 0.28090000622123246
Energy: 0.2785777400834299
Energy: 0.2837190989236079
Energy: 0.29342222989173594
Energy: 0.2837190989236079
Energy: 0.2767079482042589
Energy: 0.264094719933754
Energy: 0.2801183077897622
Energy: 0.2640947199327957
Energy: 0.2956217342165269
Energy: 0.2772381865602124
Energy: 0.2961278209234826
Energy: 0.2772381865602124
Energy: 0.28793532487533413
Energy: 0.28415004201431826
Energy: 0.2904310757333405
Energy: 0.28415004201336
Energy: 0.3376543311319787
Energy: 0.28552885527818683
Energy: 0.2958468220882177
Energy: 0.28552885527914507
Energy: 0.28391702350506315
Energy: 0.26422906505283955
Energy: 0.30082233098046346
Energy: 0.26422906505283955
Energy: 0.2763725325104033
Energy: 0.27747177828158265
Energy: 0.301741404343559
Energy: 0.27747177828349917
Energy: 0.28077736273740744
Energy: 0.2670971653716896
Energy: 0.28053651054675216
Energy: 0.2670971653716896
Energy: 0.2916726417498956
Energy: 0.2796202344086302
Energy: 0.29263145008167746
Energy: 0.2796202344076719
Energy: 0.2942206058269222
Energy: 0.27570964576150697
Energy: 0.290389228568475
Energy: 0.27570964576246515
Energy: 0.31248661360588426
Energy: 0.29046883528322576
Energy: 0.26921228266670927
Energy: 0.29046883528226747
Energy: 0.2942213394176017
Energy: 0.27561770059506585
Energy: 0.33787068085401495
Energy: 0.2756177005941075
Energy: 0.29168191962163226
Energy: 0.27959915192634965
Energy: 0.292697714781142
Energy: 0.279599151927308
Energy: 0.2807645862081528
Energy: 0.26710012768270264
Energy: 0.27833974990989707
Energy: 0.26710012768174435
Energy: 0.2764246196339505
Energy: 0.27754536911622796
Energy: 0.30159694472056786
Energy: 0.27754536911622796
Energy: 0.28385690361641197
Energy: 0.2643000646920678
Energy: 0.2863115023266994
Energy: 0.2643000646920678
Energy: 0.33768662756410023
Energy: 0.2855332384800238
Energy: 0.2959277944057326
Energy: 0.2855332384800238
Energy: 0.2879332376692981
Energy: 0.2841861889960751
Energy: 0.2904601855479657
Energy: 0.2841861889960751

minimum gb energy = 0.2640947199327957 eV
minimum distance =  2.5945074773226 Angstroms
sigma value = 25


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

Energy: 0.2864504913367792
Energy: 0.2760961936035829
Energy: 0.32770527486826584
Energy: 0.2760961936035829
Energy: 0.2724790962769447
Energy: 0.28024283106143366
Energy: 0.2714538791819752
Energy: 0.28024283106143366
Energy: 0.27073666466401186
Energy: 0.2893643030650878
Energy: 0.26857020184165153
Energy: 0.2893643030650878
Energy: 0.28690613566944273
Energy: 0.27745168113008706
Energy: 0.32477879442824664
Energy: 0.27745168113008706
Energy: 0.29468955153111
Energy: 0.2914949670771571
Energy: 0.27489543904496794
Energy: 0.2914949670783422
Energy: 0.2721800827399632
Energy: 0.2895090272082179
Energy: 0.27152964860714107
Energy: 0.2895090272082179
Energy: 0.27520676542709294
Energy: 0.281189036810806
Energy: 0.2690863381931207
Energy: 0.281189036810806
Energy: 0.2975001733073372
Energy: 0.27722839376259995
Energy: 0.28690970032297075
Energy: 0.27722839376259995
Energy: 0.26855458320478437
Energy: 0.2826769104817651
Energy: 0.27302659332918244
Energy: 0.2826769104817651
Energy: 0.3324278912954823
Energy: 0.29122695936915227
Energy: 0.27261249126855963
Energy: 0.29122695936915227
Energy: 0.29264067166430324
Energy: 0.2761602180033368
Energy: 0.3209508071133919
Energy: 0.2761602180033368
Energy: 0.271818528583379
Energy: 0.2977547396841238
Energy: 0.312299968562961
Energy: 0.2977547396841238
Energy: 0.3272823729372594
Energy: 0.28828843450269503
Energy: 0.2709841274892567
Energy: 0.2882884345015099
Energy: 0.2717537878971473
Energy: 0.2788148332110329
Energy: 0.28732091451018027
Energy: 0.2788148332110329
Energy: 0.27512002628823246
Energy: 0.2771634270273958
Energy: 0.29485265437129005
Energy: 0.2771634270262107
Energy: 0.273436524912271
Energy: 0.28987641344113035
Energy: 0.2719678204653905
Energy: 0.28987641344113035
Energy: 0.26909024360450606
Energy: 0.2880100175271068
Energy: 0.3052888114004243
Energy: 0.2880100175271068

minimum gb energy = 0.26855458320478437 eV
minimum distance =  2.60169398694191 Angstroms
sigma value = 17


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

Energy: 0.29206936663333505
Energy: 0.2986956874494199
Energy: 0.4020154456857727
Energy: 0.29869568745009106
Energy: 0.28318702776927923
Energy: 0.29362408282668784
Energy: 0.2757361532354922
Energy: 0.29362408282668784
Energy: 0.2833206806509012
Energy: 0.29428859525928996
Energy: 0.2740309747512061
Energy: 0.2942885952599306
Energy: 0.275107517880803
Energy: 0.30022369684377986
Energy: 0.3038702865324315
Energy: 0.30022369684377986
Energy: 0.3125856822983646
Energy: 0.3014510773903396
Energy: 0.28186372312510466
Energy: 0.3014510773903396
Energy: 0.28062769199468296
Energy: 0.3057777049496519
Energy: 0.30716417662621076
Energy: 0.3057777049496519
Energy: 0.27256671403890026
Energy: 0.2902921014591703
Energy: 0.2729915093542636
Energy: 0.29029210145984147
Energy: 0.29139678255160634
Energy: 0.2999493335339795
Energy: 0.2817208082513499
Energy: 0.2999493335339795
Energy: 0.28105513572236746
Energy: 0.29479729341585886
Energy: 0.3199588857325774
Energy: 0.2947972934151877
Energy: 0.3068550432079137
Energy: 0.3198774157775375
Energy: 0.2762140019862972
Energy: 0.3198774157782086
Energy: 0.2753822256092248
Energy: 0.2961161423332189
Energy: 0.29972145455643406
Energy: 0.29611614233254774
Energy: 0.27865135424851095
Energy: 0.29067857735179503
Energy: 0.2776815290828975
Energy: 0.29067857735179503
Energy: 0.3010642850722687
Energy: 0.30057097242061626
Energy: 0.29428831053182314
Energy: 0.3005709724199451
Energy: 0.27618903416210355
Energy: 0.30311148462057713
Energy: 0.3022320710220925
Energy: 0.30311148461990595
Energy: 0.3088746916471983
Energy: 0.29065171069846707
Energy: 0.28068798280547474
Energy: 0.2906517106991382
Energy: 0.29961856711224627
Energy: 0.30060353373997095
Energy: 0.30730430766564437
Energy: 0.30060353373929977
Energy: 0.2747067388387024
Energy: 0.2900007358436544
Energy: 0.29373695344349043
Energy: 0.29000073584432556
Energy: 0.3107793948969211
Energy: 0.2953248776895503
Energy: 0.28068284303508717
Energy: 0.2953248776895503
Energy: 0.2862356507243576
Energy: 0.2925703368373525
Energy: 0.3047336910340056
Energy: 0.2925703368380237
Energy: 0.27411699259085603
Energy: 0.29461911434956356
Energy: 0.2741813883490118
Energy: 0.29461911434956356
Energy: 0.29620129964001196
Energy: 0.29347667456478954
Energy: 0.2839973306105709
Energy: 0.29347667456478954
Energy: 0.2759664536385638
Energy: 0.3182314307701684
Energy: 0.30592886215722753
Energy: 0.31823143077083954
Energy: 0.3355520116966044
Energy: 0.3013188129258542
Energy: 0.27593061532384194
Energy: 0.3013188129251831
Energy: 0.2792505341007277
Energy: 0.2905026146740054
Energy: 0.30357873192626683
Energy: 0.29050261467333416
Energy: 0.2921466875457271
Energy: 0.29218400268252803
Energy: 0.2999645068166484
Energy: 0.29218400268252803
Energy: 0.333951018176408
Energy: 0.29829451227260373
Energy: 0.2752891784192198
Energy: 0.29829451227193254
Energy: 0.27579938712406266
Energy: 0.3268757960014318
Energy: 0.3169245921528025
Energy: 0.3268757960007606
Energy: 0.3111085907586856
Energy: 0.301150806012816
Energy: 0.30049009456014564
Energy: 0.3011508060121449
Energy: 0.33651741926602596
Energy: 0.29339447017605097
Energy: 0.2733440857748631
Energy: 0.29339447017605097
Energy: 0.28154660577239626
Energy: 0.29364561622022356
Energy: 0.3120401298829316
Energy: 0.2936456162195524

minimum gb energy = 0.27256671403890026 eV
minimum distance =  2.5636056723215 Angstroms
sigma value = 53


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

Energy: 0.23686927279259878
Energy: 0.23595464874617436
Energy: 0.36614723545901773
Energy: 0.2359546487477195
Energy: 0.3118396722021091
Energy: 0.25457541676101225
Energy: 0.2348884101231913
Energy: 0.25457541676101225
Energy: 0.23615100426817653
Energy: 0.235810873593275
Energy: 0.3076694068177165
Energy: 0.235810873593275
Energy: 0.23613728825522412
Energy: 0.23584450359883738
Energy: 0.2796290468898514
Energy: 0.23584450359883738
Energy: 0.3118214348373712
Energy: 0.25484302491440675
Energy: 0.2342097031371374
Energy: 0.25484302491440675
Energy: 0.23686927279259878
Energy: 0.23595464874617436
Energy: 0.37628286473732364
Energy: 0.2359546487477195
Energy: 0.3118396722021091
Energy: 0.25457541676101225
Energy: 0.28531338163994846
Energy: 0.25457541676101225
Energy: 0.23615100426817653
Energy: 0.235810873593275
Energy: 0.3076694068177165
Energy: 0.2358108735948201
Energy: 0.23613728825522412
Energy: 0.23584450359883738
Energy: 0.27773673132398347
Energy: 0.23584450359883738
Energy: 0.3118214348373712
Energy: 0.25484302491440675
Energy: 0.28529274076711747
Energy: 0.25484302491440675
Energy: 0.23686927279259878
Energy: 0.2359546487477195
Energy: 0.37628286473886874
Energy: 0.2359546487477195
Energy: 0.3118396722021091
Energy: 0.25457541676101225
Energy: 0.2758812725783298
Energy: 0.25457541676101225
Energy: 0.23615100426817653
Energy: 0.235810873593275
Energy: 0.3076694068177165
Energy: 0.235810873593275

minimum gb energy = 0.2342097031371374 eV
minimum distance =  2.58784394044453 Angstroms
sigma value = 9


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

Energy: 0.28962623428354234
Energy: 0.28722269728845545
Energy: 0.41647258860567155
Energy: 0.2872226972890274
Energy: 0.35089209250474374
Energy: 0.285507547499176
Energy: 0.28177733707664043
Energy: 0.28550754750031976
Energy: 0.2809531124651998
Energy: 0.2872444103045496
Energy: 0.2816842509049507
Energy: 0.2872444103051215
Energy: 0.32539369401122503
Energy: 0.2844841143920943
Energy: 0.2848883929796934
Energy: 0.2844841143920943
Energy: 0.3158833330546334
Energy: 0.2980937075543031
Energy: 0.2862895572920543
Energy: 0.2980937075537312
Energy: 0.2833943583233717
Energy: 0.2875794386145996
Energy: 0.3327328267390188
Energy: 0.28757943861345586
Energy: 0.3538952434514393
Energy: 0.2843030811563214
Energy: 0.2815321932912818
Energy: 0.2843030811563214
Energy: 0.28073437199192836
Energy: 0.29134361132482683
Energy: 0.32601907796097634
Energy: 0.29134361132482683
Energy: 0.2844469008702822
Energy: 0.29001772495503797
Energy: 0.2795274827322694
Energy: 0.29001772495503797
Energy: 0.28169047867706193
Energy: 0.28493493377336415
Energy: 0.28144154876386246
Energy: 0.2849349337727922
Energy: 0.2815518249388439
Energy: 0.28967646927030527
Energy: 0.3943972985547518
Energy: 0.28967646926973334
Energy: 0.3452666016364516
Energy: 0.3036371697029959
Energy: 0.28214533425462446
Energy: 0.3036371697035678
Energy: 0.281643228493343
Energy: 0.2849967602985254
Energy: 0.34787867032844305
Energy: 0.28499676029909726
Energy: 0.32145154527281794
Energy: 0.2846494243884849
Energy: 0.28650747611622607
Energy: 0.2846494243884849
Energy: 0.2819747573302811
Energy: 0.28787254108482063
Energy: 0.31609471467350375
Energy: 0.2878725410842487
Energy: 0.27971717728115997
Energy: 0.30151904285316816
Energy: 0.3345097320688034
Energy: 0.30151904285259634
Energy: 0.30646679188126896
Energy: 0.28944727790512725
Energy: 0.28421826105508186
Energy: 0.28944727790512725
Energy: 0.28267784649932154
Energy: 0.29589983512443485
Energy: 0.34078225966518044
Energy: 0.29589983512500667
Energy: 0.3265610350948114
Energy: 0.2853183916811449
Energy: 0.28344186492982465
Energy: 0.285318391680573
Energy: 0.28117762354392295
Energy: 0.29054259847774583
Energy: 0.31225448105573494
Energy: 0.29054259847774583
Energy: 0.32596011571828976
Energy: 0.2933254088672768
Energy: 0.32557568758873634
Energy: 0.2933254088678487
Energy: 0.31045977159310995
Energy: 0.30008350894311436
Energy: 0.27907899570051753
Energy: 0.3000835089419706
Energy: 0.27967197563183344
Energy: 0.2832489051048403
Energy: 0.2831340338737778
Energy: 0.2832489051048403
Energy: 0.3914642835773195
Energy: 0.28311668466994594
Energy: 0.28091880556751
Energy: 0.28311668467051776
Energy: 0.2813094068402283
Energy: 0.32337230555461405
Energy: 0.36493272231211815
Energy: 0.32337230555461405
Energy: 0.3095655955226912
Energy: 0.2954910478957197
Energy: 0.2812055578367226
Energy: 0.29549104789514785
Energy: 0.31558193607615365
Energy: 0.286947658271848
Energy: 0.3239550909237234
Energy: 0.28694765827127616
Energy: 0.28918659315099304
Energy: 0.28817690102911475
Energy: 0.32036814248746903
Energy: 0.2881769010285429
Energy: 0.30793071681859885
Energy: 0.30869652131303055
Energy: 0.28080847886456467
Energy: 0.30869652131360237
Energy: 0.28162475908130763
Energy: 0.3228964915492572
Energy: 0.36903650607416966
Energy: 0.3228964915486854
Energy: 0.394360350636978
Energy: 0.28402460507086685
Energy: 0.2807204266246475
Energy: 0.28402460507086685
Energy: 0.2809178903308071
Energy: 0.29539925381069027
Energy: 0.2820913153924106
Energy: 0.29539925381011833
Energy: 0.2836177674658574
Energy: 0.30113875639584714
Energy: 0.28018147143007466
Energy: 0.30113875639641907
Energy: 0.3268928466709403
Energy: 0.292190097940538
Energy: 0.32464916003300304
Energy: 0.292190097940538
Energy: 0.2835158966539679
Energy: 0.3186606271276694
Energy: 0.35474161254714215
Energy: 0.3186606271276694

minimum gb energy = 0.27907899570051753 eV
minimum distance =  2.56525272804456 Angstroms
sigma value = 73


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

Energy: 0.3050176671276158
Energy: 0.3001857750901482
Energy: 0.42442042351135384
Energy: 0.3001857750901482
Energy: 0.30973171129848254
Energy: 0.2800472982648237
Energy: 0.2816320569456959
Energy: 0.28004729826391644
Energy: 0.2796760757251199
Energy: 0.274225190753196
Energy: 0.28516099868717254
Energy: 0.2742251907522887
Energy: 0.2844969803904833
Energy: 0.2867559561409252
Energy: 0.2890079383715997
Energy: 0.2867559561418325
Energy: 0.30987571547920634
Energy: 0.28560290897496765
Energy: 0.29493004820706503
Energy: 0.28560290897496765
Energy: 0.28759151460276633
Energy: 0.27056397832046797
Energy: 0.3733918531978639
Energy: 0.27056397832046797
Energy: 0.3551741931310448
Energy: 0.28496532296500743
Energy: 0.28369317801766764
Energy: 0.28496532296500743
Energy: 0.28307331861860613
Energy: 0.30155148955858607
Energy: 0.3553781249161791
Energy: 0.3015514895594934
Energy: 0.36620995363481834
Energy: 0.2697819532126939
Energy: 0.2782051728670879
Energy: 0.2697819532126939
Energy: 0.28283374212319334
Energy: 0.2810620454175267
Energy: 0.282855670281653
Energy: 0.28106204541661944
Energy: 0.2860944586242882
Energy: 0.2755565873348013
Energy: 0.34713263462888116
Energy: 0.2755565873357086
Energy: 0.3227450871744982
Energy: 0.28816181038496613
Energy: 0.281575859588538
Energy: 0.28816181038496613
Energy: 0.28661188827648537
Energy: 0.2706207657598213
Energy: 0.34783135190937825
Energy: 0.2706207657598213
Energy: 0.38826462009967805
Energy: 0.2809192762487153
Energy: 0.28659143865998216
Energy: 0.280919276247808
Energy: 0.2793912755852177
Energy: 0.28959538391877215
Energy: 0.33241201527183756
Energy: 0.2895953839205868
Energy: 0.3463831237458038
Energy: 0.27894148542539426
Energy: 0.2839760506675359
Energy: 0.27894148542630165
Energy: 0.304862457811277
Energy: 0.28713226989680296
Energy: 0.28168286673318127
Energy: 0.28713226989680296
Energy: 0.3023481718014514
Energy: 0.2817170857195136
Energy: 0.2824480314426924
Energy: 0.28171708571860626
Energy: 0.28412973576686057
Energy: 0.28813656851227776
Energy: 0.2838334775173584
Energy: 0.2881365685113705
Energy: 0.28181781939168155
Energy: 0.28771808737518356
Energy: 0.3680662537985338
Energy: 0.2877180873760909
Energy: 0.37069994346700536
Energy: 0.27535356299404334
Energy: 0.2867516942650356
Energy: 0.2753535629949507
Energy: 0.2882330281982209
Energy: 0.2932345285227748
Energy: 0.31038868168888917
Energy: 0.2932345285227748

minimum gb energy = 0.2697819532126939 eV
minimum distance =  2.57021746152527 Angstroms
sigma value = 7


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

Energy: 0.30717754540260767
Energy: 0.3142455078850189
Energy: 0.41469061641736255
Energy: 0.3142455078830942
Energy: 0.36352022015842267
Energy: 0.2919401675314341
Energy: 0.2936731442016597
Energy: 0.2919401675333589
Energy: 0.289614810634535
Energy: 0.32100473608296665
Energy: 0.30908000553921783
Energy: 0.32100473608104185
Energy: 0.3096606856597865
Energy: 0.2896391519495484
Energy: 0.294421854215811
Energy: 0.2896391519495484
Energy: 0.29157258097854116
Energy: 0.2919443860051949
Energy: 0.29896431132812
Energy: 0.29194438600711964
Energy: 0.2913519956504393
Energy: 0.32114703069585154
Energy: 0.3808290333697759
Energy: 0.32114703069392675
Energy: 0.33297071356929625
Energy: 0.32217243027872283
Energy: 0.3018876692455456
Energy: 0.32217243027872283
Energy: 0.2913922235118643
Energy: 0.3031200732594588
Energy: 0.40616873201097164
Energy: 0.3031200732594588
Energy: 0.34837348647234084
Energy: 0.2959990003289337
Energy: 0.2916122810028687
Energy: 0.29599900033021687
Energy: 0.2934863279324529
Energy: 0.2898183790160755
Energy: 0.32704321394929475
Energy: 0.28981837901800017
Energy: 0.31483930763140827
Energy: 0.2858374207449944
Energy: 0.3031379127240066
Energy: 0.28583742074306967
Energy: 0.30600236014452153
Energy: 0.2778566392730681
Energy: 0.30602173204420247
Energy: 0.2778566392737097
Energy: 0.30706604685327443
Energy: 0.2846492788050532
Energy: 0.3031890531018957
Energy: 0.28464927880697793
Energy: 0.3087284639391055
Energy: 0.31324122823554545
Energy: 0.302080037373746
Energy: 0.31324122823554545
Energy: 0.2921199038799244
Energy: 0.29059449376253443
Energy: 0.33413476153475163
Energy: 0.29059449376766705
Energy: 0.4319223528667093
Energy: 0.29086611409384794
Energy: 0.2906185247350458
Energy: 0.2908661140970558
Energy: 0.2914164317309733
Energy: 0.2779983746191274
Energy: 0.31203875283990207
Energy: 0.2779983746184858
Energy: 0.30069147932938134
Energy: 0.3225783185727828
Energy: 0.302339401691349
Energy: 0.32257831857149954
Energy: 0.29241310721830377
Energy: 0.2857569533088958
Energy: 0.3042266430207981
Energy: 0.2857569533069711
Energy: 0.29488836700890514
Energy: 0.2978235342713431
Energy: 0.30675196975400115
Energy: 0.2978235342713431
Energy: 0.3133988449020641
Energy: 0.28501719186015995
Energy: 0.2913875925698506
Energy: 0.28501719186080143
Energy: 0.29081287408248013
Energy: 0.31381971898740746
Energy: 0.3428756063232667
Energy: 0.3138197189861243
Energy: 0.36052279742815035
Energy: 0.3066390035363471
Energy: 0.30097916142721864
Energy: 0.30663900353763024
Energy: 0.3028948502930379
Energy: 0.2993290574535254
Energy: 0.3734680475320047
Energy: 0.29932905745609173
Energy: 0.308103373706199
Energy: 0.2980986036066287
Energy: 0.3045953791255852
Energy: 0.2980986036027791
Energy: 0.30832210607107474
Energy: 0.2872870313674579
Energy: 0.3098458917279873
Energy: 0.28728703136874106
Energy: 0.2916317561284626
Energy: 0.2909626385749158
Energy: 0.3332578536861655
Energy: 0.290962638576199
Energy: 0.3095867599430947
Energy: 0.277932710849644
Energy: 0.2966456280575113
Energy: 0.27793271085092713
Energy: 0.28944838620908875
Energy: 0.29270307176929294
Energy: 0.36220520945976464
Energy: 0.29270307177057614
Energy: 0.3732834769866045
Energy: 0.2944426371572668
Energy: 0.2935152494162629
Energy: 0.2944426371566252
Energy: 0.2894360134242171
Energy: 0.29244350629889804
Energy: 0.373983991772721
Energy: 0.2924435062982565

minimum gb energy = 0.2778566392730681 eV
minimum distance =  2.56208751041566 Angstroms
sigma value = 29


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

Energy: 0.30278171793143877
Energy: 0.2813098169763133
Energy: 0.3346458112603788
Energy: 0.2813098169767602
Energy: 0.3033163347993463
Energy: 0.25960000724668836
Energy: 0.299454831936773
Energy: 0.25960000724624144
Energy: 0.2881011983121591
Energy: 0.2634520909554111
Energy: 0.33425283779063536
Energy: 0.26345209095628014
Energy: 0.29432792856950823
Energy: 0.25798869438897304
Energy: 0.2982233163212638
Energy: 0.25798869438897304
Energy: 0.29796123177314504
Energy: 0.2574636908322303
Energy: 0.3336387395816775
Energy: 0.25746369083245385
Energy: 0.3151765262125473
Energy: 0.277430302048608
Energy: 0.3150914415251927
Energy: 0.2774303020494771
Energy: 0.2880491645222437
Energy: 0.2574449344090445
Energy: 0.298002733156803
Energy: 0.25744493440882105
Energy: 0.2981987598396096
Energy: 0.25852950386035733
Energy: 0.2945103867440966
Energy: 0.25852950386013385
Energy: 0.33426592153588125
Energy: 0.2635122294336911
Energy: 0.2917781912393714
Energy: 0.2635122294339146

minimum gb energy = 0.25744493440882105 eV
minimum distance =  2.66437458644875 Angstroms
sigma value = 5


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

Energy: 0.2941546007262664
Energy: 0.2930850869415163
Energy: 0.3641147381563218
Energy: 0.2930850869409103
Energy: 0.29000623086600014
Energy: 0.29585309361112827
Energy: 0.2899511816266135
Energy: 0.29585309361112827
Energy: 0.2910589924992749
Energy: 0.2977645122121058
Energy: 0.3362037051212636
Energy: 0.2977645122127119
Energy: 0.2910092533636088
Energy: 0.29357814228775264
Energy: 0.28075813825454454
Energy: 0.29357814228775264
Energy: 0.28426996868264703
Energy: 0.29139275001271875
Energy: 0.33612700637277987
Energy: 0.29139275001271875
Energy: 0.33275795157547644
Energy: 0.298872409798334
Energy: 0.28067104984337926
Energy: 0.298872409798334
Energy: 0.28325844003750444
Energy: 0.29006111812730956
Energy: 0.2871768083168028
Energy: 0.29006111812730956
Energy: 0.27323547487563815
Energy: 0.30294523267406964
Energy: 0.2847544509897029
Energy: 0.3029452326746757
Energy: 0.2835574929857792
Energy: 0.28948704936402675
Energy: 0.29420871447258284
Energy: 0.28948704936402675
Energy: 0.2737347334976876
Energy: 0.29030517820882445
Energy: 0.28827338140321657
Energy: 0.29030517820882445
Energy: 0.29328144870985623
Energy: 0.29345023513818796
Energy: 0.2835214072313521
Energy: 0.2934502351375819
Energy: 0.2818464039729468
Energy: 0.2918271753841402
Energy: 0.32351766008613814
Energy: 0.2918271753841402
Energy: 0.32613979264514975
Energy: 0.29347191272303585
Energy: 0.3024381907066848
Energy: 0.29347191272303585
Energy: 0.2839648365927876
Energy: 0.3196580316652569
Energy: 0.3008426790612578
Energy: 0.3196580316652569
Energy: 0.3033836984438272
Energy: 0.29550067971130783
Energy: 0.28364426202846754
Energy: 0.29550067971130783
Energy: 0.2810518978871952
Energy: 0.2922966566759828
Energy: 0.31198159082194477
Energy: 0.2922966566765889
Energy: 0.30660647141361547
Energy: 0.29426107703839577
Energy: 0.29514833883761266
Energy: 0.29426107703900184
Energy: 0.2922422345313847
Energy: 0.2932190237930417
Energy: 0.3532936331798105
Energy: 0.2932190237930417
Energy: 0.2888942588637371
Energy: 0.29070982828575637
Energy: 0.2722407466269629
Energy: 0.29070982828515024
Energy: 0.28457491641636146
Energy: 0.3220573131114557
Energy: 0.299950694809347
Energy: 0.3220573131114557
Energy: 0.2988812585511286
Energy: 0.29621932862775385
Energy: 0.28290187069185374
Energy: 0.2962193286271478
Energy: 0.28221205411532263
Energy: 0.29026137165644217
Energy: 0.28611077220713144
Energy: 0.29026137165644217
Energy: 0.2865303112526042
Energy: 0.2890706087669785
Energy: 0.2924645023960313
Energy: 0.2890706087669785
Energy: 0.3176899660803221
Energy: 0.2952962662427704
Energy: 0.28125311733063935
Energy: 0.2952962662427704
Energy: 0.30987148377154455
Energy: 0.2965707331462749
Energy: 0.27690604023088294
Energy: 0.296570733146881
Energy: 0.30253340197897577
Energy: 0.2965565612294132
Energy: 0.2939230998755761
Energy: 0.2965565612288072
Energy: 0.2824352143456591
Energy: 0.2873950500258057
Energy: 0.29469716175737926
Energy: 0.2873950500258057
Energy: 0.3355800167766339
Energy: 0.29402468105673374
Energy: 0.28115702469332143
Energy: 0.2940246810579459
Energy: 0.2930450652395985
Energy: 0.29482501077683143
Energy: 0.3100741634959539
Energy: 0.2948250107774375
Energy: 0.3113113613493078
Energy: 0.29445293547594253
Energy: 0.29224295714394516
Energy: 0.2944529354753366
Energy: 0.28107420288459384
Energy: 0.2877046711034649
Energy: 0.32433009559066833
Energy: 0.2877046711028589
Energy: 0.3058766199623153
Energy: 0.31699910251513946
Energy: 0.28296462827633
Energy: 0.31699910251513946
Energy: 0.280503499706137
Energy: 0.29425899177816484
Energy: 0.2804375904585082
Energy: 0.29425899177877085

minimum gb energy = 0.2722407466269629 eV
minimum distance =  2.6109086866857 Angstroms
sigma value = 1


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

Energy: 0.29528955631566056
Energy: 0.2794737455407218
Energy: 0.34943465268687723
Energy: 0.2794737455407218
Energy: 0.2763888188162325
Energy: 0.320688590717481
Energy: 0.2712257136932306
Energy: 0.320688590716643
Energy: 0.2542782631742629
Energy: 0.2839801457405336
Energy: 0.3828395110564822
Energy: 0.2839801457388577
Energy: 0.2841734222152841
Energy: 0.2798700691200184
Energy: 0.2584869024415754
Energy: 0.27987006912169426
Energy: 0.25397867478258906
Energy: 0.28159849691196026
Energy: 0.3241433775625457
Energy: 0.2815984969102844
Energy: 0.2507980647771494
Energy: 0.27929501969732196
Energy: 0.25879021175743805
Energy: 0.2792950196981599
Energy: 0.2534545140205489
Energy: 0.28147039457066547
Energy: 0.28038018378274837
Energy: 0.28147039457234135
Energy: 0.25316322145608633
Energy: 0.28670666185919697
Energy: 0.28268463553413176
Energy: 0.2867066618583591
Energy: 0.29694733854864264
Energy: 0.2806666189439244
Energy: 0.2907247608473871
Energy: 0.2806666189439244
Energy: 0.29655442120569797
Energy: 0.280758594186304
Energy: 0.273781774186463
Energy: 0.28075859418714205
Energy: 0.2531781908056103
Energy: 0.28668363216014836
Energy: 0.31300271653568496
Energy: 0.2866836321567965
Energy: 0.253334104123802
Energy: 0.2815395098601044
Energy: 0.2730657621402988
Energy: 0.2815395098601044
Energy: 0.25112949027282766
Energy: 0.3202801332623105
Energy: 0.258784585464595
Energy: 0.3202801332614725
Energy: 0.25397416779137155
Energy: 0.2817024803698527
Energy: 0.29329000698162183
Energy: 0.2817024803706907
Energy: 0.2842098619599784
Energy: 0.27985739585087815
Energy: 0.25848602587035524
Energy: 0.27985739585087815
Energy: 0.2539806781610661
Energy: 0.28400095072525683
Energy: 0.3158490934216746
Energy: 0.2840009507277707
Energy: 0.2765727479725766
Energy: 0.2797160479549916
Energy: 0.2712717184460712
Energy: 0.2797160479541536
Energy: 0.29528955631649845
Energy: 0.2794737455407218
Energy: 0.38003910323545703
Energy: 0.2794737455398838
Energy: 0.2763888188162325
Energy: 0.320688590717481
Energy: 0.2712257136923927
Energy: 0.320688590716643
Energy: 0.2542782631742629
Energy: 0.2839801457396957
Energy: 0.3828395110564822
Energy: 0.2839801457388577
Energy: 0.284173422216122
Energy: 0.2798700691200184
Energy: 0.2584869024415754
Energy: 0.27987006912169426
Energy: 0.25397867478258906
Energy: 0.28159849691196026
Energy: 0.3241433775608698
Energy: 0.2815984969102844
Energy: 0.2507980647771494
Energy: 0.27929501969732196
Energy: 0.25879021175743805
Energy: 0.27929501969732196
Energy: 0.2534545140205489
Energy: 0.28147039457066547
Energy: 0.2803801837835863
Energy: 0.28147039457234135

minimum gb energy = 0.2507980647771494 eV
minimum distance =  2.62754666383118 Angstroms
sigma value = 17


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

Energy: 0.3036616546062743
Energy: 0.29191434101316016
Energy: 0.4094490361393782
Energy: 0.29191434101367814
Energy: 0.3384395059098718
Energy: 0.30092348354433696
Energy: 0.2864371061331427
Energy: 0.300923483543819
Energy: 0.26742631581133186
Energy: 0.29202520970302603
Energy: 0.33624113417886226
Energy: 0.2920252097025081
Energy: 0.31175029942166643
Energy: 0.2848606089482184
Energy: 0.27263674960941736
Energy: 0.2848606089482184
Energy: 0.26866481546146775
Energy: 0.31423133589025326
Energy: 0.2871086017663126
Energy: 0.31423133589025326
Energy: 0.27570293187609174
Energy: 0.28811927557664163
Energy: 0.27573516766672207
Energy: 0.28811927557767747
Energy: 0.272119424025993
Energy: 0.28836911242016705
Energy: 0.3164165516501706
Energy: 0.28836911242016705
Energy: 0.2768383466614827
Energy: 0.29784131630546756
Energy: 0.2797626775355867
Energy: 0.29784131630546756
Energy: 0.2992709027221951
Energy: 0.2891435507931763
Energy: 0.2835289124237583
Energy: 0.2891435507916225
Energy: 0.3012373960371586
Energy: 0.29022485269422615
Energy: 0.27584107111991657
Energy: 0.29022485269319026
Energy: 0.26774649106877996
Energy: 0.27799506494592
Energy: 0.2808012791909896
Energy: 0.27799506494695586
Energy: 0.2793323646151946
Energy: 0.2898894681722766
Energy: 0.2876789242338817
Energy: 0.28988946817279454
Energy: 0.28171724981613794
Energy: 0.2857100925190458
Energy: 0.27222857877091156
Energy: 0.28571009251852786
Energy: 0.27627421786892087
Energy: 0.3132946300999437
Energy: 0.31382092691254665
Energy: 0.3132946300999437
Energy: 0.28210128248361066
Energy: 0.2845285000476447
Energy: 0.2986033899838423
Energy: 0.2845285000471267
Energy: 0.27765598285912596
Energy: 0.29292480189711945
Energy: 0.29298014985609777
Energy: 0.2929248018966016
Energy: 0.2947514745138546
Energy: 0.28530871926795487
Energy: 0.2722475047700785
Energy: 0.28530871926795487
Energy: 0.28074193607888254
Energy: 0.29376361322958217
Energy: 0.3420604616858355
Energy: 0.29376361322958217
Energy: 0.3252443818357886
Energy: 0.2908124223934732
Energy: 0.27785466188898483
Energy: 0.2908124223934732
Energy: 0.2849384185155588
Energy: 0.2889687870676307
Energy: 0.3187770105234474
Energy: 0.2889687870681486
Energy: 0.33775066048950925
Energy: 0.29820491496241913
Energy: 0.280407773003575
Energy: 0.29820491496241913
Energy: 0.28146351339582915
Energy: 0.30641777693421124
Energy: 0.3146606507112186
Energy: 0.3064177769336933
Energy: 0.31983886310326703
Energy: 0.28765967073789733
Energy: 0.27672686735585994
Energy: 0.28765967073945115
Energy: 0.27324664277978733
Energy: 0.2891231680470876
Energy: 0.33244982140555657
Energy: 0.28912316804760557
Energy: 0.3090763084214049
Energy: 0.29299416385129223
Energy: 0.27342198317050803
Energy: 0.29299416385129223
Energy: 0.27405055202235873
Energy: 0.3052644145350112
Energy: 0.30328029856803557
Energy: 0.3052644145350112
Energy: 0.3169704349720501
Energy: 0.2877230238965199
Energy: 0.2779243840474834
Energy: 0.2877230238975557
Energy: 0.30003832336678166
Energy: 0.28408394594304365
Energy: 0.27875394099044104
Energy: 0.28408394594252573
Energy: 0.31252652917776513
Energy: 0.31319769564474254
Energy: 0.28176202336702416
Energy: 0.3131976956457783
Energy: 0.27336373764965904
Energy: 0.2814826828458562
Energy: 0.3080144472807591
Energy: 0.28148268284482025
Energy: 0.28517595798176754
Energy: 0.30224743323868364
Energy: 0.28275913962003313
Energy: 0.30224743323868364
Energy: 0.28274072407609996
Energy: 0.2777360615598709
Energy: 0.266346727699898
Energy: 0.2777360615603888
Energy: 0.27414922424534316
Energy: 0.29232022574148736
Energy: 0.3392332156595175
Energy: 0.2923202257409695
Energy: 0.30111304211569806
Energy: 0.2891823936975336
Energy: 0.2697512379258821
Energy: 0.2891823936985695
Energy: 0.27894782096815707
Energy: 0.30374938597774304
Energy: 0.2939497727509088
Energy: 0.30374938597774304
Energy: 0.3183000705750624
Energy: 0.2896675140854916
Energy: 0.2723762330700753
Energy: 0.2896675140854916
Energy: 0.27691405003880304
Energy: 0.2877029161280658
Energy: 0.2799443709745295
Energy: 0.28770291612703
Energy: 0.28651116146856154
Energy: 0.3150856443324351
Energy: 0.2893331057711082
Energy: 0.3150856443324351

minimum gb energy = 0.266346727699898 eV
minimum distance =  2.59369253814902 Angstroms
sigma value = 89


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

Energy: 0.2571530530401304
Energy: 0.25635761593135076
Energy: 0.3858772566368757
Energy: 0.25635761593135076
Energy: 0.26523714327690245
Energy: 0.26071439275850683
Energy: 0.2699500413532794
Energy: 0.26071439275850683
Energy: 0.2569144815100875
Energy: 0.2798256180777753
Energy: 0.4287802120742754
Energy: 0.2798256180777753
Energy: 0.2626057870683725
Energy: 0.2640263301081744
Energy: 0.27010331421476025
Energy: 0.2640263301081744
Energy: 0.2573167102259603
Energy: 0.2563294269288518
Energy: 0.2554489867580134
Energy: 0.2563294269288518
Energy: 0.2632778551258095
Energy: 0.2581921697375982
Energy: 0.25482183368074107
Energy: 0.2581921697375982
Energy: 0.25706933268801746
Energy: 0.2798498646145897
Energy: 0.25824929418738063
Energy: 0.2798498646145897
Energy: 0.27788290569467605
Energy: 0.2812769069779837
Energy: 0.2701497076869047
Energy: 0.2812769069779837
Energy: 0.2571154426268615
Energy: 0.25529495351063375
Energy: 0.27776822823664865
Energy: 0.25529495351063375
Energy: 0.2753723697984258
Energy: 0.25757784991744037
Energy: 0.2549034139326097
Energy: 0.25757784991744037
Energy: 0.2547366108040762
Energy: 0.26255450939665065
Energy: 0.2566204434815506
Energy: 0.26255450939665065
Energy: 0.2709783854866436
Energy: 0.2805798390440951
Energy: 0.2585643522812259
Energy: 0.2805798390440951
Energy: 0.25708503685034667
Energy: 0.26226147660515275
Energy: 0.2606295864079105
Energy: 0.26226147660379756
Energy: 0.25530225078873925
Energy: 0.25489766984245277
Energy: 0.2552831057788401
Energy: 0.2548976698410976
Energy: 0.27859828034882655
Energy: 0.2622553469504926
Energy: 0.2571247864292268
Energy: 0.2622553469504926

minimum gb energy = 0.2547366108040762 eV
minimum distance =  2.57390651984632 Angstroms
sigma value = 13


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

Energy: 0.2797526800299939
Energy: 0.27051239599944926
Energy: 0.3828612361031485
Energy: 0.27051239600001725
Energy: 0.31023521061195397
Energy: 0.2842933491096597
Energy: 0.26684616026239827
Energy: 0.2842933491096597
Energy: 0.2651374703680999
Energy: 0.2700904169615544
Energy: 0.38032777955812164
Energy: 0.27009041696496244
Energy: 0.2739032665426169
Energy: 0.2771577915687554
Energy: 0.2627044298547987
Energy: 0.2771577915710275
Energy: 0.2673039265234676
Energy: 0.26944430662280405
Energy: 0.2893724436554126
Energy: 0.26944430662564406
Energy: 0.2949118028860715
Energy: 0.2798998727936877
Energy: 0.27582354566446976
Energy: 0.2798998727914415
Energy: 0.2681865381547423
Energy: 0.2707172469157214
Energy: 0.31011849800791375
Energy: 0.2707172469162894
Energy: 0.27467455722920964
Energy: 0.2774622718513713
Energy: 0.2755405674551535
Energy: 0.2774622718508033
Energy: 0.26424178855440067
Energy: 0.2714590834773164
Energy: 0.31396656969889325
Energy: 0.2714590834733404
Energy: 0.32528894526977686
Energy: 0.27759375625726035
Energy: 0.2631888230928277
Energy: 0.2775937562583964
Energy: 0.26449606064254355
Energy: 0.2733070487656574
Energy: 0.2809965388626636
Energy: 0.27330704876792944
Energy: 0.309033460201193
Energy: 0.29065527248213796
Energy: 0.2635975129708396
Energy: 0.29065527248327394
Energy: 0.2856549298768974
Energy: 0.2688220391833738
Energy: 0.27832527339764995
Energy: 0.2688220391845098
Energy: 0.3470127876052618
Energy: 0.27312381818219705
Energy: 0.26157145658684416
Energy: 0.273123818180493
Energy: 0.26433249215742943
Energy: 0.279842904977532
Energy: 0.2706643923358689
Energy: 0.2798429049781
Energy: 0.2869629103009597
Energy: 0.27305331124149207
Energy: 0.2641499960988205
Energy: 0.27305331123865206
Energy: 0.2811592200434275
Energy: 0.26577291127569924
Energy: 0.26487598999108614
Energy: 0.2657729112768352
Energy: 0.2852387187130844
Energy: 0.2690609560374329
Energy: 0.28639505639103413
Energy: 0.2690609560380009
Energy: 0.2843763802424871
Energy: 0.26898449814128284
Energy: 0.28627061094677003
Energy: 0.2689844981458269
Energy: 0.2845793579337382
Energy: 0.268975443681561
Energy: 0.2859304310204946
Energy: 0.268975443681561
Energy: 0.2852702041926447
Energy: 0.26929887766212923
Energy: 0.2863728605300415
Energy: 0.2692988776564492
Energy: 0.2813142820043925
Energy: 0.2657205993477295
Energy: 0.26508868301630184
Energy: 0.2657205993477295
Energy: 0.28697725120325074
Energy: 0.2731892234952833
Energy: 0.2645370760774555
Energy: 0.2731892234975553
Energy: 0.2643118239982209
Energy: 0.27990371280141785
Energy: 0.27988459387062087
Energy: 0.27990371280141785
Energy: 0.3471675182672559
Energy: 0.2730998291099398
Energy: 0.26160917890724145
Energy: 0.2730998291116437
Energy: 0.2857045267422085
Energy: 0.269015767106826
Energy: 0.29162908747328264
Energy: 0.269015767110234
Energy: 0.30883442070667605
Energy: 0.29060632610524345
Energy: 0.26364547207421657
Energy: 0.2906063261097874
Energy: 0.2645028296225409
Energy: 0.27335120213464975
Energy: 0.2830018122641566
Energy: 0.2733512021329457
Energy: 0.32548756046373284
Energy: 0.2775269455097096
Energy: 0.2632027077513286
Energy: 0.27752694551027757
Energy: 0.2642873958299092
Energy: 0.2716224572879832
Energy: 0.3470061001516562
Energy: 0.2716224572851432
Energy: 0.27109516618434376
Energy: 0.277435324898157
Energy: 0.27555838884050793
Energy: 0.27743532489591083
Energy: 0.26816105638919313
Energy: 0.2709792879709463
Energy: 0.34230402492383877
Energy: 0.27097928796981036
Energy: 0.29477974278800445
Energy: 0.2805058659380945
Energy: 0.2755357608962457
Energy: 0.28050586593866256
Energy: 0.26728376274792415
Energy: 0.26935696092100225
Energy: 0.2978324606433188
Energy: 0.26935696092384226
Energy: 0.2747358217587986
Energy: 0.2773237795379858
Energy: 0.26270629197813294
Energy: 0.2773237795379858

minimum gb energy = 0.26157145658684416 eV
minimum distance =  2.61547283263586 Angstroms
sigma value = 37


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

Energy: 0.25195266842186265
Energy: 0.24829416789166098
Energy: 0.29555654728825564
Energy: 0.24829416789166098
Energy: 0.29261924872085154
Energy: 0.25808991040201157
Energy: 0.2538962732699081
Energy: 0.25808991040201157
Energy: 0.24846518872440274
Energy: 0.2572010082985009
Energy: 0.3096158253454107
Energy: 0.2572010082985009
Energy: 0.25609611444204355
Energy: 0.25221346677787165
Energy: 0.2536091859644523
Energy: 0.25221346677884887
Energy: 0.2531563633166098
Energy: 0.24804980331682452
Energy: 0.2819799349961887
Energy: 0.24804980331682452
Energy: 0.2599058210348913
Energy: 0.24784762991907913
Energy: 0.2512160683268883
Energy: 0.24784762991907913
Energy: 0.2520902935018248
Energy: 0.3220886125044274
Energy: 0.31445436256138265
Energy: 0.32208861250345017
Energy: 0.25382878982969204
Energy: 0.24908240843199342
Energy: 0.253262107949706
Energy: 0.24908240843199342
Energy: 0.2535599869250442
Energy: 0.2589543455567745
Energy: 0.31512617330402076
Energy: 0.2589543455567745
Energy: 0.3209504924104761
Energy: 0.2569073596713027
Energy: 0.2513958693996582
Energy: 0.2569073596713027
Energy: 0.254138941188564
Energy: 0.26001361452407556
Energy: 0.2569052745294236
Energy: 0.26001361452309835
Energy: 0.3234061829991974
Energy: 0.24861623486485998
Energy: 0.25295492017593624
Energy: 0.24861623486388276
Energy: 0.2514300702775236
Energy: 0.24779642181101194
Energy: 0.2617320790569314
Energy: 0.2477964218119892
Energy: 0.31326260709908615
Energy: 0.2604273658701764
Energy: 0.2556048378472723
Energy: 0.2604273658701764
Energy: 0.2518758638254851
Energy: 0.26070048622313496
Energy: 0.2547589450577422
Energy: 0.26070048622313496
Energy: 0.26121079353237503
Energy: 0.2593058151023353
Energy: 0.25581613575380363
Energy: 0.2593058151023353
Energy: 0.25234381866038014
Energy: 0.2627864777721034
Energy: 0.26042965939029383
Energy: 0.2627864777721034
Energy: 0.256592739027993
Energy: 0.2604389481977218
Energy: 0.2551274571523106
Energy: 0.26043894819869895
Energy: 0.25377425182270297
Energy: 0.24953937589907027
Energy: 0.25101923688083266
Energy: 0.24953937589907027
Energy: 0.25248520612273895
Energy: 0.2473647048512356
Energy: 0.2581403705479299
Energy: 0.2473647048512356

minimum gb energy = 0.2473647048512356 eV
minimum distance =  2.64009367898993 Angstroms
sigma value = 25


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

Energy: 0.2833991216290482
Energy: 0.2589662017693368
Energy: 0.2543644413390887
Energy: 0.25896620176781066
Energy: 0.3739683883552869
Energy: 0.24497259304320837
Energy: 0.23950688729908934
Energy: 0.24497259304397143
Energy: 0.2735413315985237
Energy: 0.2602711543097675
Energy: 0.3067018220532194
Energy: 0.2602711543097675
Energy: 0.33010883590682405
Energy: 0.27006912161991764
Energy: 0.24093023091977306
Energy: 0.27006912162068075
Energy: 0.2409620976658222
Energy: 0.2625489703565569
Energy: 0.28265269529970455
Energy: 0.2625489703588461
Energy: 0.2658643789340183
Energy: 0.2679578973606334
Energy: 0.24188438901097256
Energy: 0.2679578973613964
Energy: 0.23946370145778725
Energy: 0.2510331576070679
Energy: 0.30709613839492444
Energy: 0.2510331576040157
Energy: 0.25722372809367466
Energy: 0.28101419144527795
Energy: 0.2739973700093439
Energy: 0.28101419144604106
Energy: 0.23917888956427447
Energy: 0.2556682664179015
Energy: 0.3439251587772108
Energy: 0.2556682664179015
Energy: 0.23991149551532462
Energy: 0.24474759066334553
Energy: 0.2511382963710822
Energy: 0.24474759066487167
Energy: 0.2393160724611572
Energy: 0.2507180662499752
Energy: 0.35268834327164156
Energy: 0.25071806624844906
Energy: 0.27233502831781536
Energy: 0.2566705737568669
Energy: 0.27392763215489924
Energy: 0.25667057375763
Energy: 0.2391269975755733
Energy: 0.26742229334832585
Energy: 0.3280883994568602
Energy: 0.26742229334908896
Energy: 0.3123065415557833
Energy: 0.2564958929770075
Energy: 0.24142395662426447
Energy: 0.2564958929770075
Energy: 0.2417809581997036
Energy: 0.24987595740596674
Energy: 0.2710954500206722
Energy: 0.24987595740596674
Energy: 0.3379964790697139
Energy: 0.28890402584925906
Energy: 0.24269867037944245
Energy: 0.288904025848496
Energy: 0.2697367481564193
Energy: 0.28132696704325777
Energy: 0.2477593793681702
Energy: 0.28132696704325777
Energy: 0.3334927197579849
Energy: 0.25983851466011415
Energy: 0.2410780908107211
Energy: 0.25983851466011415
Energy: 0.28435178133265965
Energy: 0.27443893029823013
Energy: 0.24074815139294645
Energy: 0.2744389302989932
Energy: 0.3708978498426326
Energy: 0.2748299287632295
Energy: 0.24182379948054875
Energy: 0.2748299287624664
Energy: 0.2696440998558289
Energy: 0.26595480623672174
Energy: 0.24499638541120478
Energy: 0.26595480623672174
Energy: 0.27352146736864896
Energy: 0.2661376022493376
Energy: 0.24279329109875564
Energy: 0.26613760225162686
Energy: 0.24202038321719874
Energy: 0.2533591935502365
Energy: 0.3115550097533875
Energy: 0.25335919355099956
Energy: 0.26514253711165403
Energy: 0.2668252251827436
Energy: 0.24379879280319
Energy: 0.2668252251819805
Energy: 0.23923933184337254
Energy: 0.28696058527881113
Energy: 0.3392768931582151
Energy: 0.28696058527881113
Energy: 0.24250141866980687
Energy: 0.2679272893738758
Energy: 0.270746738526619
Energy: 0.2679272893731126

minimum gb energy = 0.2391269975755733 eV
minimum distance =  2.58893319726784 Angstroms
sigma value = 41


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

Energy: 0.3283330693478715
Energy: 0.25856100995269593
Energy: 0.25655931665540554
Energy: 0.25856100995269593
Energy: 0.33433739105077825
Energy: 0.24499795580895947
Energy: 0.2271713787539613
Energy: 0.24499795580958506
Energy: 0.23200848898002
Energy: 0.24058180648631394
Energy: 0.25791567389777276
Energy: 0.24058180648631394
Energy: 0.3166647045883574
Energy: 0.2407978585106543
Energy: 0.22769210401807352
Energy: 0.24079785851190552
Energy: 0.23169599403618366
Energy: 0.2553790731622047
Energy: 0.2300890082874136
Energy: 0.2553790731628303
Energy: 0.2745000403755811
Energy: 0.24030170588004685
Energy: 0.22768419279216304
Energy: 0.24030170587879562
Energy: 0.2232421306040089
Energy: 0.24145313690303322
Energy: 0.27009546327793815
Energy: 0.24145313690491002
Energy: 0.22728987481460955
Energy: 0.24145155492440373
Energy: 0.23231130126723099
Energy: 0.24145155492440373
Energy: 0.22858875787886548
Energy: 0.23397911928968204
Energy: 0.3075157310501243
Energy: 0.23397911928843085
Energy: 0.25786320773318117
Energy: 0.24503317873852296
Energy: 0.23270195801424753
Energy: 0.24503317873789734
Energy: 0.22759802697162326
Energy: 0.24288839767001083
Energy: 0.3635936698946013
Energy: 0.24288839767001083
Energy: 0.22912509657033714
Energy: 0.2581387140474666
Energy: 0.33128725570188755
Energy: 0.2581387140474666
Energy: 0.22828017790447103
Energy: 0.2529478870481682
Energy: 0.3638324492211203
Energy: 0.2529478870475425
Energy: 0.25767058326574166
Energy: 0.27867765257087207
Energy: 0.23270891036122146
Energy: 0.27867765257087207
Energy: 0.2278514195587513
Energy: 0.24048690647485776
Energy: 0.31704315688670603
Energy: 0.24048690647423218
Energy: 0.3026059190947188
Energy: 0.25425085292643
Energy: 0.2323600579855951
Energy: 0.25425085292643
Energy: 0.2282860370625398
Energy: 0.260985987982561
Energy: 0.27445569423625804
Energy: 0.260985987982561
Energy: 0.29783075908907936
Energy: 0.2623049290947224
Energy: 0.2275936266072945
Energy: 0.26230492909409686
Energy: 0.2275554117809784
Energy: 0.24100453802023816
Energy: 0.2313200285953803
Energy: 0.2410045380208638
Energy: 0.2864094273088731
Energy: 0.25302161820371394
Energy: 0.23029209213502802
Energy: 0.2530216182030884
Energy: 0.23334572309041435
Energy: 0.2616003192226806
Energy: 0.23038051924502134
Energy: 0.26160031922330623
Energy: 0.36271077049384703
Energy: 0.26449153413031884
Energy: 0.23288191969986421
Energy: 0.26449153413031884
Energy: 0.3268329105584199
Energy: 0.24337051618226746
Energy: 0.2312380941918082
Energy: 0.24337051618351865
Energy: 0.3227056630758738
Energy: 0.25311719842763103
Energy: 0.2299661681548962
Energy: 0.2531171984282567
Energy: 0.23425075478834298
Energy: 0.28190502182154537
Energy: 0.23983118143881108
Energy: 0.28190502182154537
Energy: 0.3186501763931563
Energy: 0.26909790171000664
Energy: 0.23022769842026022
Energy: 0.269097901709381
Energy: 0.22734312418900798
Energy: 0.22877488198212692
Energy: 0.2840712374488577
Energy: 0.22877488198212692
Energy: 0.23019948028252632
Energy: 0.2606161155203113
Energy: 0.2293721630041065
Energy: 0.26061611551968566
Energy: 0.2282460628533816
Energy: 0.25967982202275863
Energy: 0.2949350629649086
Energy: 0.2596798220233842
Energy: 0.2301975822219509
Energy: 0.2728393198890334
Energy: 0.230415554828025
Energy: 0.27283931988840787
Energy: 0.2320646855875721
Energy: 0.2907702957041831
Energy: 0.28585849230823085
Energy: 0.29077029570355756
Energy: 0.2299694197815038
Energy: 0.2606360643149208
Energy: 0.23345010552501522
Energy: 0.2606360643155465

minimum gb energy = 0.2232421306040089 eV
minimum distance =  2.60942008284458 Angstroms
sigma value = 15


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

Energy: 0.30469964228959484
Energy: 0.2820165538806727
Energy: 0.23758319676900147
Energy: 0.28201655388120267
Energy: 0.3786406081660828
Energy: 0.24168522193825517
Energy: 0.22167145048126705
Energy: 0.24168522193772518
Energy: 0.2285083177330497
Energy: 0.22872422060543865
Energy: 0.24688985812251885
Energy: 0.22872422060596861
Energy: 0.3445220870185366
Energy: 0.25766377865550066
Energy: 0.22279416252076312
Energy: 0.2576637786565606
Energy: 0.2201358360713657
Energy: 0.25683415211199484
Energy: 0.22128420672563853
Energy: 0.25683415211093485
Energy: 0.2984326311103439
Energy: 0.23052515506248092
Energy: 0.21915458652486217
Energy: 0.23052515506354085
Energy: 0.22059558696870646
Energy: 0.2324852145874402
Energy: 0.2571750837502614
Energy: 0.23248521458638025
Energy: 0.2542140757543812
Energy: 0.23382217043314119
Energy: 0.21949527286163031
Energy: 0.23382217043521292
Energy: 0.2196355990150929
Energy: 0.25206408904924194
Energy: 0.2852089113296315
Energy: 0.25206408904871197
Energy: 0.21764840273009242
Energy: 0.2409795329346122
Energy: 0.22060032551038267
Energy: 0.24097953293567212
Energy: 0.22188978104642967
Energy: 0.22943401444116787
Energy: 0.32174277406802804
Energy: 0.2294340144427578
Energy: 0.24421074366619358
Energy: 0.22897711011699853
Energy: 0.22893501729148144
Energy: 0.2289771101175285
Energy: 0.22023823736735637
Energy: 0.24713278183145013
Energy: 0.34921917413084974
Energy: 0.24713278182933024
Energy: 0.22128875864401845
Energy: 0.27256624520934286
Energy: 0.3052690333175642
Energy: 0.27256624520881284
Energy: 0.22184748021850942
Energy: 0.24134593798483434
Energy: 0.37811870936228986
Energy: 0.24134593798430434
Energy: 0.24511605529883748
Energy: 0.22863529909497543
Energy: 0.22879440476174515
Energy: 0.22863529909497543
Energy: 0.2228134325833952
Energy: 0.2749446398246209
Energy: 0.3412991493749106
Energy: 0.2749446398256808
Energy: 0.278388906763108
Energy: 0.2559546529835737
Energy: 0.2206638304502986
Energy: 0.2559546529819838
Energy: 0.21994651249752425
Energy: 0.2371881076726191
Energy: 0.29386079502897444
Energy: 0.2371881076726191
Energy: 0.29780762882754597
Energy: 0.24961060950768169
Energy: 0.22008664206865824
Energy: 0.24961060950874167
Energy: 0.22044115241467113
Energy: 0.25687807862182616
Energy: 0.26099909685301725
Energy: 0.25687807862288614
Energy: 0.28172560365220267
Energy: 0.27873588363143237
Energy: 0.2212484433575043
Energy: 0.27873588363143237
Energy: 0.22009615893909337
Energy: 0.23753568322387075
Energy: 0.21793763056162999
Energy: 0.23753568322387075
Energy: 0.35257001700936363
Energy: 0.22906623233862586
Energy: 0.21914458058580158
Energy: 0.22906623233915582
Energy: 0.22969417742266662
Energy: 0.2524752885673404
Energy: 0.22573079831522186
Energy: 0.2524752885673404
Energy: 0.3417313657316712
Energy: 0.25199488627637406
Energy: 0.22108112417153045
Energy: 0.25199488627531413
Energy: 0.30841148422000036
Energy: 0.2560341690658325
Energy: 0.21897825218905398
Energy: 0.2560341690642426
Energy: 0.376928046990207
Energy: 0.2419310751094149
Energy: 0.22311980020765224
Energy: 0.2419310751094149
Energy: 0.22960114111043714
Energy: 0.27514349832338053
Energy: 0.21964098140100557
Energy: 0.2751434983239105
Energy: 0.2976067665110789
Energy: 0.264164506073957
Energy: 0.21766306988784917
Energy: 0.264164506073427
Energy: 0.2217504436647265
Energy: 0.23789756901305414
Energy: 0.276171284439178
Energy: 0.2378975690119942
Energy: 0.2984831971715216
Energy: 0.23825353784653233
Energy: 0.22152278262569242
Energy: 0.2382535378507721
Energy: 0.22049173031494032
Energy: 0.30030522204834803
Energy: 0.2770821568623852
Energy: 0.30030522204781807
Energy: 0.22102158694624857
Energy: 0.27173010843221757
Energy: 0.22185853057998228
Energy: 0.27173010843221757
Energy: 0.21910594900016106
Energy: 0.23962959985344218
Energy: 0.2765233043203097
Energy: 0.23962959985238225
Energy: 0.2212405588185653
Energy: 0.2537113049059174
Energy: 0.22347839023110896
Energy: 0.2537113049064474
Energy: 0.2206589732344134
Energy: 0.2990063919662654
Energy: 0.34954566466125975
Energy: 0.29900639196520545

minimum gb energy = 0.21764840273009242 eV
minimum distance =  2.57132768506875 Angstroms
sigma value = 85


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

Energy: 0.2901346947613573
Energy: 0.2691810859951189
Energy: 0.21698575121175195
Energy: 0.26918108599557855
Energy: 0.3604174173103667
Energy: 0.2411400031437192
Energy: 0.20199449248432763
Energy: 0.2411400031437192
Energy: 0.2692896778815701
Energy: 0.23189699096645552
Energy: 0.22044573091193512
Energy: 0.23189699096645552
Energy: 0.32576911488647486
Energy: 0.24330400618533726
Energy: 0.20273240113203486
Energy: 0.24330400618533726
Energy: 0.2080755640447556
Energy: 0.20856036745327955
Energy: 0.19773710425061689
Energy: 0.20856036745373918
Energy: 0.2941846103791338
Energy: 0.23545120983341228
Energy: 0.19959772650012256
Energy: 0.23545120983295267
Energy: 0.20071642628686087
Energy: 0.23577290070775853
Energy: 0.2616077828224593
Energy: 0.23577290070913748
Energy: 0.26645558177097595
Energy: 0.23892777978040297
Energy: 0.20018450910870728
Energy: 0.2389277797799433
Energy: 0.19987845371888507
Energy: 0.22392715631817317
Energy: 0.2799979040643896
Energy: 0.2239271563177135
Energy: 0.23429590397038072
Energy: 0.23580967128891883
Energy: 0.2013614829034993
Energy: 0.23580967128891883
Energy: 0.19928860865899467
Energy: 0.23355835794550872
Energy: 0.30111859099633653
Energy: 0.23355835794458946
Energy: 0.20171204104079785
Energy: 0.21464679021036953
Energy: 0.20804341429179476
Energy: 0.21464679021174848
Energy: 0.2021161095322108
Energy: 0.21374299322594736
Energy: 0.32986244783600543
Energy: 0.21374299322640702
Energy: 0.22219710067363957
Energy: 0.22855563243413793
Energy: 0.27166676962555153
Energy: 0.22855563243367827
Energy: 0.20067549888223246
Energy: 0.21413600901327667
Energy: 0.3555234291879649
Energy: 0.2141360090137363
Energy: 0.20406574335600855
Energy: 0.26915123606654395
Energy: 0.2870672630935709
Energy: 0.2691512360670036
Energy: 0.20247000446208335
Energy: 0.22442756150364163
Energy: 0.3678838143125569
Energy: 0.22442756150364163
Energy: 0.2212757102566402
Energy: 0.21749123617436333
Energy: 0.2716955428255118
Energy: 0.21749123617436333
Energy: 0.20256610401008804
Energy: 0.24445886690075894
Energy: 0.32903742928328117
Energy: 0.24445886690121862
Energy: 0.25294816870556697
Energy: 0.22645620118573329
Energy: 0.20801313818996245
Energy: 0.22645620118619292
Energy: 0.2004474391309073
Energy: 0.2122387114011982
Energy: 0.29389448006150654
Energy: 0.21223871140073858
Energy: 0.24942653510440563
Energy: 0.21965198419588536
Energy: 0.20131890282579756
Energy: 0.21965198419542575
Energy: 0.20108376184086332
Energy: 0.24360941284242976
Energy: 0.26221422441220393
Energy: 0.24360941284288945
Energy: 0.24978167901869097
Energy: 0.23391480434332945
Energy: 0.20016444111445558
Energy: 0.2339148043424102
Energy: 0.20206596821604866
Energy: 0.21605192196115333
Energy: 0.23113949520069338
Energy: 0.21605192196115333
Energy: 0.31090300315528874
Energy: 0.2168578636557577
Energy: 0.2013328542150151
Energy: 0.2168578636557577
Energy: 0.20854430275844008
Energy: 0.21650267442737603
Energy: 0.19882564599547725
Energy: 0.21650267442783566
Energy: 0.31236647932418116
Energy: 0.23636470611251298
Energy: 0.19992154008942986
Energy: 0.23636470611297267
Energy: 0.2755131161824875
Energy: 0.22883569994591998
Energy: 0.22233016061266536
Energy: 0.22883569994637964
Energy: 0.3696106791477002
Energy: 0.2150323025154489
Energy: 0.20118477182586125
Energy: 0.2150323025154489
Energy: 0.2876044038579603
Energy: 0.21633324678530397
Energy: 0.19925982267199666
Energy: 0.21633324678484428
Energy: 0.331815903154993
Energy: 0.2581580519024955
Energy: 0.20514215249399137
Energy: 0.25815805190295515
Energy: 0.2768328154023446
Energy: 0.2177788182107158
Energy: 0.2065724774039977
Energy: 0.2177788182102561
Energy: 0.3290128619886366
Energy: 0.24463528992438174
Energy: 0.20345220266331568
Energy: 0.24463528992392208
Energy: 0.2085161549909891
Energy: 0.26264664463731896
Energy: 0.25135850815350935
Energy: 0.26264664463731896
Energy: 0.26140232088700877
Energy: 0.26267957389846375
Energy: 0.20159901415103137
Energy: 0.26267957389846375
Energy: 0.2021762548757726
Energy: 0.21931105213837884
Energy: 0.2544258993572116
Energy: 0.21931105213837884
Energy: 0.26233229490567134
Energy: 0.24508923913630018
Energy: 0.20103233922341412
Energy: 0.24508923913584055
Energy: 0.2010561404457885
Energy: 0.26439975428686363
Energy: 0.24955757827560623
Energy: 0.26439975428640405
Energy: 0.20029469330989436
Energy: 0.2613615498551642
Energy: 0.20313657267313312
Energy: 0.26136154985470456
Energy: 0.20228695869955876
Energy: 0.2175260946650791
Energy: 0.3107114021245866
Energy: 0.2175260946650791
Energy: 0.20209335439880954
Energy: 0.233935608028281
Energy: 0.20895635317971042
Energy: 0.233935608028281
Energy: 0.2007654320766785
Energy: 0.2741357284683319
Energy: 0.30640005729984965
Energy: 0.27413572846879153

minimum gb energy = 0.19773710425061689 eV
minimum distance =  2.59634749989109 Angstroms
sigma value = 113


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

Energy: 0.011703267384480204
Energy: 0.012817718555332314
Energy: 0.2798688292567866
Energy: 0.01281771855499859
Energy: 0.27965496435070014
Energy: 0.25317323770892086
Energy: 0.16828475275439458
Energy: 0.25317323770892086
Energy: 0.011703267384480204
Energy: 0.012817718555332314
Energy: 0.2798688292571203
Energy: 0.012817718555332314
Energy: 0.2796549643503468
Energy: 0.2531732377092546
Energy: 0.16828475275508167
Energy: 0.25317323770892086
Energy: 0.011703267384480204
Energy: 0.01281771855499859
Energy: 0.2798688292567866
Energy: 0.01281771855499859
Energy: 0.2796549643503468
Energy: 0.25317323770892086
Energy: 0.16828475275508167
Energy: 0.25317323770892086

minimum gb energy = 0.011703267384480204 eV
minimum distance =  2.79949423971266 Angstroms
sigma value = 1