Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_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=4.050180745124819
cohesive_energy=3.5802830731630406
mass=26.981538
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=[2.12362104130164e-19, 2.8430303935003197e-19, 3.31376591033586e-19, 3.69136689943698e-19, 4.03176534709662e-19, 4.3350734056791597e-19, 4.59094101412896e-19, 4.7997206513055e-19, 4.96908674328564e-19, 5.10727447796814e-19, 5.22086880131874e-19, 5.314868504435519e-19, 5.39310278947374e-19, 5.45864783557068e-19, 5.5140511035744e-19, 5.56128327074472e-19, 5.60188242665028e-19, 5.636825899037819e-19, 5.66662638443022e-19, 5.69131592636016e-19, 5.71073430716424e-19, 5.724689265646379e-19, 5.73302058414318e-19, 5.735792349719999e-19, 5.73286036647978e-19, 5.72363182906794e-19, 5.70765812802696e-19, 5.68487517629148e-19, 5.65138968464088e-19, 5.6030520155931e-19, 5.53819590544878e-19, 5.45515509050856e-19, 5.352071045877e-19, 5.226764811331859e-19, 5.07643257776364e-19, 4.89718105595172e-19, 4.68330649707906e-19, 4.42636543028448e-19, 4.1141492696168994e-19, 3.73017161751246e-19, 3.25357213419648e-19, 2.65829942760012e-19, 1.91186135558586e-19, 9.710119664487719e-20, -2.2595336851638598e-20, -1.7677615891238999e-19, -3.77676291402918e-19, -6.43320381673386e-19, -1.0025876635516438e-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: -9.5367431640625e-07 eV

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

Energy: 0.010999836283020238
Energy: 0.04668068313899098
Energy: 0.19710866545821973
Energy: 0.04668068313949065
Energy: 0.04668068313996256
Energy: 0.14934344112613065
Energy: 0.04668068313899098
Energy: 0.14934344112663034
Energy: 0.19710866545821973
Energy: 0.04668068313949065
Energy: 0.010999836283020238
Energy: 0.04668068313899098
Energy: 0.04668068313899098
Energy: 0.14934344112613065
Energy: 0.04668068313899098
Energy: 0.14934344112663034

minimum gb energy = 0.010999836283020238 eV
minimum distance =  2.81593319001666 Angstroms
sigma value = 1


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

Energy: 0.4310706614453225
Energy: 0.34650530190231876
Energy: 0.34721985378950293
Energy: 0.34650530190353074
Energy: 0.32034344842052875
Energy: 0.34730585191195584
Energy: 0.3207355473556034
Energy: 0.34730585191195584
Energy: 0.34718398354714036
Energy: 0.34616882549076433
Energy: 0.47112082774553826
Energy: 0.34616882549076433
Energy: 0.3199483994123172
Energy: 0.3162722942435194
Energy: 0.3205262370302778
Energy: 0.3162722942435194
Energy: 0.4008712479437666
Energy: 0.31572905124523254
Energy: 0.31709701131945706
Energy: 0.31572905124523254
Energy: 0.31921366654600347
Energy: 0.3215765693510835
Energy: 0.32114287439876366
Energy: 0.32157656935047757
Energy: 0.3222619140509922
Energy: 0.3222613819151032
Energy: 0.4008254628644956
Energy: 0.32226138191391873
Energy: 0.3206094149840728
Energy: 0.32569310598539025
Energy: 0.33014094409220146
Energy: 0.32569310598478435
Energy: 0.35009529243600207
Energy: 0.31409761138907494
Energy: 0.3295733265363373
Energy: 0.31409761138968095
Energy: 0.3409140612647308
Energy: 0.3201883458500019
Energy: 0.31718046595227034
Energy: 0.32018834585060785
Energy: 0.3157547291339636
Energy: 0.3140221926438461
Energy: 0.3506845419052762
Energy: 0.3140221926450581
Energy: 0.32208587926367344
Energy: 0.31438857574956286
Energy: 0.32903368413245365
Energy: 0.3143885757501688
Energy: 0.32212327005922314
Energy: 0.322359245215477
Energy: 0.3193722344775319
Energy: 0.322359245215477
Energy: 0.3232647709452454
Energy: 0.32153935741051304
Energy: 0.32476255758235595
Energy: 0.32153935741172507
Energy: 0.3191853078548436
Energy: 0.3157539110924319
Energy: 0.31627501893350213
Energy: 0.31575391109064144
Energy: 0.3175765829140621
Energy: 0.316019705448839
Energy: 0.320295022152827
Energy: 0.316019705449445
Energy: 0.3462557244311459
Energy: 0.34582030046460577
Energy: 0.3174339491352226
Energy: 0.3458203004664237
Energy: 0.31672483062220175
Energy: 0.3159873285590526
Energy: 0.3194525085077836
Energy: 0.3159873285602645
Energy: 0.3190550318501881
Energy: 0.34582229171071516
Energy: 0.34811822308018364
Energy: 0.3458222917113212
Energy: 0.31784225662594434
Energy: 0.31569684951790794
Energy: 0.3204352581630999
Energy: 0.31569684951790794
Energy: 0.3183801481993099
Energy: 0.31563047718782183
Energy: 0.400535184686618
Energy: 0.31563047718782183
Energy: 0.322624855718442
Energy: 0.34136881144213155
Energy: 0.31901663958479726
Energy: 0.3413688114427375
Energy: 0.4005805987762774
Energy: 0.3221516500986877
Energy: 0.32272135161299914
Energy: 0.32215165009808167
Energy: 0.3320643783819314
Energy: 0.31879623467032514
Energy: 0.3197050176323948
Energy: 0.3187962346697192
Energy: 0.3274162883413444
Energy: 0.3143025941779491
Energy: 0.35013998640457716
Energy: 0.31430259417673706
Energy: 0.3181601682902923
Energy: 0.31298554558601815
Energy: 0.34191277499991213
Energy: 0.3129855455866241
Energy: 0.3506913519238903
Energy: 0.31408534881830696
Energy: 0.31589595101027024
Energy: 0.31408534881830696
Energy: 0.3286124356776142
Energy: 0.31379688507541376
Energy: 0.3210392830096275
Energy: 0.3137968850760198
Energy: 0.3192884962331507
Energy: 0.31691681333023913
Energy: 0.32173813718976146
Energy: 0.3169168133290271
Energy: 0.31249404067467196
Energy: 0.32021482729694095
Energy: 0.3214109347237903
Energy: 0.32021482729633494
Energy: 0.3162696049872745
Energy: 0.3153145910573855
Energy: 0.3190337871436564
Energy: 0.3153145910573855
Energy: 0.32012296176161315
Energy: 0.31569771566895716
Energy: 0.31775541740378654
Energy: 0.3156977156695631
Energy: 0.31749525737942746
Energy: 0.3161751322829729
Energy: 0.3461856120032247
Energy: 0.31617513228176086

minimum gb energy = 0.31249404067467196 eV
minimum distance =  2.50014648623608 Angstroms
sigma value = 1


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

Energy: 0.49610462739768585
Energy: 0.35800979212205913
Energy: 0.3592458950537296
Energy: 0.3580097921255138
Energy: 0.32648411214585477
Energy: 0.35568231350864676
Energy: 0.3269333364615648
Energy: 0.3556823135121015
Energy: 0.35895252995208526
Energy: 0.35714729252170957
Energy: 0.4519475181027565
Energy: 0.35714729252723704
Energy: 0.32563002303405936
Energy: 0.3235231686810176
Energy: 0.32718839059119126
Energy: 0.3235231686782538
Energy: 0.4522579359235506
Energy: 0.32322758368373133
Energy: 0.32453922828398923
Energy: 0.3232275836830404
Energy: 0.32719158982759416
Energy: 0.33154642013505004
Energy: 0.3280483285850349
Energy: 0.3315464201343591
Energy: 0.33557959461442205
Energy: 0.33251974198628287
Energy: 0.37852153281750567
Energy: 0.33251974198766476
Energy: 0.3282057046825407
Energy: 0.326432371447911
Energy: 0.33985793824527705
Energy: 0.32643237144514725
Energy: 0.3790228470099547
Energy: 0.3267619973684158
Energy: 0.3475884430986989
Energy: 0.32676199736496114
Energy: 0.33915038295087174
Energy: 0.32702916502402996
Energy: 0.32688215506261986
Energy: 0.3270291650267938
Energy: 0.32658344960975655
Energy: 0.3325369194495682
Energy: 0.33565602582348747
Energy: 0.3325369194550957
Energy: 0.3266130239589398
Energy: 0.3315004915049273
Energy: 0.3300985152098709
Energy: 0.33150049150630917
Energy: 0.32403038285392227
Energy: 0.3229469685542973
Energy: 0.3259105086587812
Energy: 0.322946968557061
Energy: 0.32637969567327463
Energy: 0.32330611221278716
Energy: 0.3250045473084121
Energy: 0.32330611221555094
Energy: 0.32311653451984934
Energy: 0.3569725334443541
Energy: 0.3578830779885384
Energy: 0.3569725334381356
Energy: 0.3263341085125323
Energy: 0.3234841776714018
Energy: 0.32715882114272005
Energy: 0.32348417767071086
Energy: 0.3578300189870267
Energy: 0.35699460358028
Energy: 0.32567254923070044
Energy: 0.3569946035768254
Energy: 0.32579552639274395
Energy: 0.32337505640467956
Energy: 0.3256018724797239
Energy: 0.3233750564019158
Energy: 0.3264866198220098
Energy: 0.3232537979321669
Energy: 0.3260138084007548
Energy: 0.32325379793009407
Energy: 0.3264336303397752
Energy: 0.32311028445367684
Energy: 0.3286484639166272
Energy: 0.323110284452295
Energy: 0.3346074667499994
Energy: 0.33294821505049566
Energy: 0.3782023363648798
Energy: 0.3329482150560231
Energy: 0.3279340769172318
Energy: 0.33191502390028177
Energy: 0.34130760667765525
Energy: 0.3319150239023546
Energy: 0.3792173252129602
Energy: 0.3272781006532076
Energy: 0.3437963117266649
Energy: 0.32727810065389856
Energy: 0.3392773208771688
Energy: 0.32600819463790576
Energy: 0.328986009295049
Energy: 0.32600819463030545
Energy: 0.3263893639930686
Energy: 0.3322466299809961
Energy: 0.3355614861146218
Energy: 0.332246629982378
Energy: 0.3267358045609488
Energy: 0.33043783590670345
Energy: 0.32845250359734207
Energy: 0.33043783590186687
Energy: 0.3237875555514785
Energy: 0.32288751358765244
Energy: 0.3258097433060235
Energy: 0.32288751358765244
Energy: 0.32626350535712784
Energy: 0.3227799869510156
Energy: 0.3237984435959446
Energy: 0.3227799869510156
Energy: 0.3229416221723024
Energy: 0.32403429228302727
Energy: 0.35739644906583545
Energy: 0.3240342922823363

minimum gb energy = 0.3227799869510156 eV
minimum distance =  2.49787906191288 Angstroms
sigma value = 25


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

Energy: 0.4729994499354837
Energy: 0.3692908971843702
Energy: 0.3689999313428016
Energy: 0.3692908971843702
Energy: 0.333389726637294
Energy: 0.36214352049021753
Energy: 0.3337186970116174
Energy: 0.36214352049021753
Energy: 0.36939383377697677
Energy: 0.3686695025429126
Energy: 0.4249058252597252
Energy: 0.3686695025429126
Energy: 0.33131925793726147
Energy: 0.32975332002130125
Energy: 0.33343549477312723
Energy: 0.32975332002130125
Energy: 0.3322726370444905
Energy: 0.3299492682141864
Energy: 0.32996260833602126
Energy: 0.3299492682133833
Energy: 0.3373631286586398
Energy: 0.3567447664250714
Energy: 0.3333493750091938
Energy: 0.3567447664250714
Energy: 0.33924809837726966
Energy: 0.3441472445714245
Energy: 0.3549831663697139
Energy: 0.3441472445722277
Energy: 0.3360965200160345
Energy: 0.34074555888724173
Energy: 0.3351495646149791
Energy: 0.34074555888724173
Energy: 0.3563878429414987
Energy: 0.34368570487314104
Energy: 0.3340098854262293
Energy: 0.34368570487314104
Energy: 0.33692816632501565
Energy: 0.3430186959016675
Energy: 0.33256815471399775
Energy: 0.3430186959016675
Energy: 0.3272817265230456
Energy: 0.33022028782525503
Energy: 0.32917161326477046
Energy: 0.33022028782525503
Energy: 0.3272186068734503
Energy: 0.33063528480221716
Energy: 0.3330412037250694
Energy: 0.33063528480141396
Energy: 0.36797808951827743
Energy: 0.36786502441859104
Energy: 0.32650862217526216
Energy: 0.367865024414575
Energy: 0.3335345759577237
Energy: 0.33015832773495807
Energy: 0.333664207662172
Energy: 0.33015832773495807
Energy: 0.332212955586726
Energy: 0.36818110772771523
Energy: 0.3703038645864261
Energy: 0.36818110772771523
Energy: 0.3356610088285555
Energy: 0.32943763288159356
Energy: 0.33116368233552385
Energy: 0.32943763288239675
Energy: 0.3322234242250236
Energy: 0.32939308644203913
Energy: 0.3316273979672467
Energy: 0.32939308644203913
Energy: 0.32996299994690426
Energy: 0.3295234781689105
Energy: 0.33875521544484133
Energy: 0.3295234781689105
Energy: 0.35487413313205546
Energy: 0.34554199032047844
Energy: 0.33903828630742655
Energy: 0.34554199032047844
Energy: 0.3353003275422351
Energy: 0.3440270884985272
Energy: 0.3375288445989801
Energy: 0.3440270884985272
Energy: 0.3337571683283782
Energy: 0.34403551380154396
Energy: 0.35639759659952464
Energy: 0.34403551380154396
Energy: 0.3334760012735136
Energy: 0.343069374465545
Energy: 0.33654008912045935
Energy: 0.343069374465545
Energy: 0.331047159112416
Energy: 0.3302926503701941
Energy: 0.3275407554476034
Energy: 0.3302926503693909
Energy: 0.332825394635233
Energy: 0.33027823295098474
Energy: 0.32722716298396093
Energy: 0.3302782329517878
Energy: 0.3262376964400454
Energy: 0.3320649135083389
Energy: 0.3680756075767831
Energy: 0.3320649135083389

minimum gb energy = 0.3262376964400454 eV
minimum distance =  2.4863337975863 Angstroms
sigma value = 9


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

Energy: 0.43865360206329956
Energy: 0.37967980468960555
Energy: 0.3799148786811321
Energy: 0.3796798046915219
Energy: 0.34639280030314273
Energy: 0.36399233284061544
Energy: 0.34646334939574785
Energy: 0.36399233283869914
Energy: 0.38030248147864154
Energy: 0.37920693516356946
Energy: 0.37832636343613485
Energy: 0.3792069351654858
Energy: 0.33872645128895484
Energy: 0.3418603803710422
Energy: 0.3470331327605814
Energy: 0.3418603803691259
Energy: 0.3369644527474573
Energy: 0.34110134754919513
Energy: 0.3377027961985057
Energy: 0.34110134754727883
Energy: 0.370815397533369
Energy: 0.3664209705610774
Energy: 0.3406391508429398
Energy: 0.3664209705591611
Energy: 0.34686841329602763
Energy: 0.35992578933240393
Energy: 0.3395537860156405
Energy: 0.3599257893333621
Energy: 0.33970078709962503
Energy: 0.36058802985119737
Energy: 0.37050215634385375
Energy: 0.36058802985023924
Energy: 0.33674480485334474
Energy: 0.3421083547643038
Energy: 0.3250760865863261
Energy: 0.34210835476526197
Energy: 0.34576340440301195
Energy: 0.34195773586119904
Energy: 0.3245090508617877
Energy: 0.34195773586119904
Energy: 0.32317159781614396
Energy: 0.37777965164141053
Energy: 0.37775464777684375
Energy: 0.37777965164141053
Energy: 0.34873036981229094
Energy: 0.34194546896259415
Energy: 0.33960709486456003
Energy: 0.34194546896451045
Energy: 0.3815533231437111
Energy: 0.37801413318606625
Energy: 0.37808822019847366
Energy: 0.3780141331870244
Energy: 0.337736701074055
Energy: 0.3651032308894741
Energy: 0.3335458045655422
Energy: 0.36510323089043234
Energy: 0.33704352243445435
Energy: 0.34125846132197835
Energy: 0.3365442696063192
Energy: 0.34125846132006205
Energy: 0.3387284085460874
Energy: 0.3408000155534522
Energy: 0.3370418240660297
Energy: 0.340800015552494
Energy: 0.34837608640141043
Energy: 0.3612201677093776
Energy: 0.33980379648195513
Energy: 0.3612201677084194
Energy: 0.34908175247538653
Energy: 0.36066459942575235
Energy: 0.3396119418095725
Energy: 0.36066459942766865
Energy: 0.3361504670731917
Energy: 0.34197429862251516
Energy: 0.32444746720513234
Energy: 0.3419742986244314
Energy: 0.33964874383566385
Energy: 0.34215444727527217
Energy: 0.3245083024648235
Energy: 0.342154447274314
Energy: 0.32276817027147114
Energy: 0.3435015910003598
Energy: 0.3778999566647925
Energy: 0.3435015910080251

minimum gb energy = 0.32276817027147114 eV
minimum distance =  2.48716808403937 Angstroms
sigma value = 25


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

Energy: 0.39143739009353407
Energy: 0.388076523493537
Energy: 0.3889303841640875
Energy: 0.388076523494695
Energy: 0.3321003563805695
Energy: 0.3490583714119925
Energy: 0.3296288558586256
Energy: 0.3490583714119925
Energy: 0.3881308075841113
Energy: 0.387981284867179
Energy: 0.3173394793835108
Energy: 0.38798128486599404
Energy: 0.3191147919728415
Energy: 0.3489372960491933
Energy: 0.3299088497268688
Energy: 0.3489372960491933
Energy: 0.35071589526584174
Energy: 0.35448525898953653
Energy: 0.3305113301637723
Energy: 0.35448525898835154
Energy: 0.31881175367917636
Energy: 0.35455032407647813
Energy: 0.3299266053181471
Energy: 0.35455032407529324
Energy: 0.3163822279654039
Energy: 0.35447472476009556
Energy: 0.3517966142098231
Energy: 0.35447472476009556
Energy: 0.3164627559887294
Energy: 0.35377215917843075
Energy: 0.3313424229807462
Energy: 0.35377215917843075
Energy: 0.3869804609017089
Energy: 0.38620910891844457
Energy: 0.3159519696593105
Energy: 0.38620910891725957
Energy: 0.330593281404402
Energy: 0.3500520646408105
Energy: 0.3168328196540548
Energy: 0.3500520646408105
Energy: 0.31759876187135183
Energy: 0.3875217574981669
Energy: 0.39112507762215876
Energy: 0.3875217574981669
Energy: 0.31754293470190426
Energy: 0.3500358823087657
Energy: 0.3191575688337006
Energy: 0.3500358823087657
Energy: 0.33032099293749884
Energy: 0.3543810729203067
Energy: 0.3510519066230708
Energy: 0.3543810729203067
Energy: 0.3301878188152462
Energy: 0.3544877669198204
Energy: 0.3198140410305975
Energy: 0.3544877669198204
Energy: 0.35424305746861123
Energy: 0.3539536422342014
Energy: 0.3163887245116351
Energy: 0.3539536422342014
Energy: 0.33011726005828274
Energy: 0.354374805832968
Energy: 0.316599708543388
Energy: 0.354374805832968
Energy: 0.3159656121845865
Energy: 0.3582958767522473
Energy: 0.385840714974398
Energy: 0.3582958767522473

minimum gb energy = 0.3159519696593105 eV
minimum distance =  2.55374678348225 Angstroms
sigma value = 17


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

Energy: 0.5458675333225406
Energy: 0.43323651855445
Energy: 0.43312628990035396
Energy: 0.4332365185537789
Energy: 0.3486036278685767
Energy: 0.35062983351354343
Energy: 0.3494327850390016
Energy: 0.35062983351421456
Energy: 0.35691620571587407
Energy: 0.3570214386326241
Energy: 0.37144931228268435
Energy: 0.35702143863195296
Energy: 0.34936306876619033
Energy: 0.3798750651043839
Energy: 0.34912040545700335
Energy: 0.3798750651043839
Energy: 0.37790208578141393
Energy: 0.38389462969795085
Energy: 0.3673921609797251
Energy: 0.38389462969862187
Energy: 0.35036622156590924
Energy: 0.3845123559160347
Energy: 0.3497758729725834
Energy: 0.38451235591670585
Energy: 0.3743510672827701
Energy: 0.35644450980561965
Energy: 0.3583616358641337
Energy: 0.35644450980494846
Energy: 0.3708422116665606
Energy: 0.35288781367548705
Energy: 0.3495113814273462
Energy: 0.35288781367548705
Energy: 0.4374641093169752
Energy: 0.43354145298115504
Energy: 0.3714084737329937
Energy: 0.43354145298249724
Energy: 0.42304782220410747
Energy: 0.3757953779476833
Energy: 0.349210544980258
Energy: 0.37579537794701223
Energy: 0.37622498807745297
Energy: 0.35274680353830096
Energy: 0.33624518333719366
Energy: 0.3527468035389721
Energy: 0.3742452053780687
Energy: 0.35280218436337607
Energy: 0.34975901220628114
Energy: 0.35280218436404714
Energy: 0.37220297732239205
Energy: 0.3524947523477248
Energy: 0.3490710201464796
Energy: 0.3524947523470537
Energy: 0.3723074787425739
Energy: 0.35295780119123327
Energy: 0.33679366552933276
Energy: 0.35295780119123327
Energy: 0.43350929846961345
Energy: 0.3947048406648386
Energy: 0.3700531031381838
Energy: 0.39470484066416744
Energy: 0.4408687537706493
Energy: 0.3886212340868234
Energy: 0.3710211223106652
Energy: 0.3886212340868234
Energy: 0.37075265064200336
Energy: 0.34907935827251335
Energy: 0.35628318024394606
Energy: 0.3490793582731845
Energy: 0.3709816751531703
Energy: 0.3489284627567403
Energy: 0.356587833304626
Energy: 0.3489284627580825
Energy: 0.3529823694770458
Energy: 0.38442657752680404
Energy: 0.3749995482369676
Energy: 0.38442657752680404
Energy: 0.36957916921279566
Energy: 0.3852135389857888
Energy: 0.3504604012237795
Energy: 0.38521353898645994
Energy: 0.3506762017536843
Energy: 0.35137850186431535
Energy: 0.3713742889777168
Energy: 0.3513785018649865
Energy: 0.35605979130217263
Energy: 0.3565212503126382
Energy: 0.37010883859699356
Energy: 0.35652125031330933
Energy: 0.34848021824693376
Energy: 0.3694371545951504
Energy: 0.3494424017243467
Energy: 0.3694371545944793
Energy: 0.37146416456601367
Energy: 0.4337621694906686
Energy: 0.4335684563156816
Energy: 0.4337621694913397
Energy: 0.34798974753064593
Energy: 0.35281122930577674
Energy: 0.3721863730444883
Energy: 0.3528112293037634
Energy: 0.34983341476724567
Energy: 0.3528036907063574
Energy: 0.37529307440668136
Energy: 0.3528036907056863
Energy: 0.33617838106126513
Energy: 0.3487032735586118
Energy: 0.37186548108011136
Energy: 0.34870327355794073
Energy: 0.3499649562349833
Energy: 0.35284566073976575
Energy: 0.37227701942236663
Energy: 0.3528456607411079
Energy: 0.3481980975173898
Energy: 0.35314279799760145
Energy: 0.37122971609392835
Energy: 0.35314279799760145
Energy: 0.3715006413451417
Energy: 0.4331135379231419
Energy: 0.4325286702296585
Energy: 0.4331135379231419

minimum gb energy = 0.33617838106126513 eV
minimum distance =  2.58965653755258 Angstroms
sigma value = 53


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

Energy: 0.5015717021579351
Energy: 0.38361515346353936
Energy: 0.3850779921832079
Energy: 0.3836151534619943
Energy: 0.3714432813673886
Energy: 0.32479685705207273
Energy: 0.38355812366670106
Energy: 0.32479685704898276
Energy: 0.3840233037145887
Energy: 0.38359866658252395
Energy: 0.37299134866703687
Energy: 0.38359866658406894
Energy: 0.3734446621508432
Energy: 0.32553580042500396
Energy: 0.3679446422826034
Energy: 0.325535800423459
Energy: 0.37699406890412385
Energy: 0.3248558700798292
Energy: 0.29608662600229757
Energy: 0.3248558700798292
Energy: 0.3667043528155558
Energy: 0.326773503153677
Energy: 0.2961677309061289
Energy: 0.326773503153677
Energy: 0.44169099163827763
Energy: 0.38253006369876197
Energy: 0.3834094324430774
Energy: 0.38253006369876197
Energy: 0.4424560686168353
Energy: 0.3260153893290369
Energy: 0.3827002087372574
Energy: 0.32601538932749186
Energy: 0.38453031918573377
Energy: 0.38329180087975984
Energy: 0.37337534504703296
Energy: 0.3832918008766698
Energy: 0.37273652844339067
Energy: 0.3251994264238994
Energy: 0.372612750494081
Energy: 0.3251994264238994
Energy: 0.37628381183104753
Energy: 0.327453286895067
Energy: 0.30527182555096166
Energy: 0.32745328689815695
Energy: 0.3729271328783554
Energy: 0.32459482742067636
Energy: 0.2982811485985225
Energy: 0.32459482742222134
Energy: 0.44282495580856557
Energy: 0.3262128045307144
Energy: 0.3816141669653217
Energy: 0.32621280453380436

minimum gb energy = 0.29608662600229757 eV
minimum distance =  2.58313524883071 Angstroms
sigma value = 9


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

Energy: 0.49126266306770217
Energy: 0.4524032988079476
Energy: 0.45271045921578573
Energy: 0.4524032988073758
Energy: 0.3867705525569635
Energy: 0.34671655842420607
Energy: 0.4778262957907174
Energy: 0.3467165584264934
Energy: 0.3498649813070821
Energy: 0.3455841346441701
Energy: 0.4394648463170751
Energy: 0.34558413464531373
Energy: 0.34754537072857916
Energy: 0.34636013765118767
Energy: 0.4691304187476009
Energy: 0.3463601376523313
Energy: 0.34680696439138087
Energy: 0.3452093392761037
Energy: 0.4662976431803445
Energy: 0.3452093392761037
Energy: 0.34521894460923863
Energy: 0.34685846446671015
Energy: 0.46566812283075293
Energy: 0.3468584644661383
Energy: 0.46407959670548826
Energy: 0.4367678662691199
Energy: 0.44242237431835224
Energy: 0.4367678662679762
Energy: 0.4673514503116263
Energy: 0.3458011808398369
Energy: 0.4353501249310402
Energy: 0.3458011808398369
Energy: 0.3736936938321623
Energy: 0.3845702461284509
Energy: 0.3757539925149032
Energy: 0.38457024612902274
Energy: 0.34292864669214446
Energy: 0.3783903351671853
Energy: 0.43243475166425965
Energy: 0.3783903351677571
Energy: 0.3737109701701093
Energy: 0.36761299541392095
Energy: 0.4863772978016431
Energy: 0.36761299541449277
Energy: 0.3726033820134631
Energy: 0.3736162517332275
Energy: 0.46743720589145776
Energy: 0.37361625173379925
Energy: 0.47486603174036934
Energy: 0.36727868189370155
Energy: 0.3984690404340004
Energy: 0.367278681895417
Energy: 0.48445820016607294
Energy: 0.37417616738264065
Energy: 0.37618520690447027
Energy: 0.37417616738264065
Energy: 0.4342070221847412
Energy: 0.38336472252099296
Energy: 0.37928956691415944
Energy: 0.38336472252213666
Energy: 0.40778399771779744
Energy: 0.38128174579160956
Energy: 0.38029019079407633
Energy: 0.38128174579103774
Energy: 0.43773285176715554
Energy: 0.34603076451437814
Energy: 0.3813202243647161
Energy: 0.34603076451437814
Energy: 0.45375808236880655
Energy: 0.43316874429889146
Energy: 0.4614895984038598
Energy: 0.4331687443000351
Energy: 0.4427352915815887
Energy: 0.3461633223088859
Energy: 0.41281807428711753
Energy: 0.34616332231002955
Energy: 0.4494131460968069
Energy: 0.34562018607040074
Energy: 0.34555686510535555
Energy: 0.34562018607040074
Energy: 0.4706956791131905
Energy: 0.3463204806769093
Energy: 0.3481460481554803
Energy: 0.34632048067805293
Energy: 0.4649841153468582
Energy: 0.34556552582174177
Energy: 0.3459914837883271
Energy: 0.34556552582174177
Energy: 0.4661991663523962
Energy: 0.3460001731621913
Energy: 0.3453840050058251
Energy: 0.3460001731633349
Energy: 0.4436228930273228
Energy: 0.43576736910164304
Energy: 0.464925531885814
Energy: 0.43576736910278663
Energy: 0.4356213353375886
Energy: 0.34569935272311925
Energy: 0.4651889797616459
Energy: 0.3456993527242629
Energy: 0.376297493663397
Energy: 0.3864230830578792
Energy: 0.37421558293456353
Energy: 0.38642308305616374
Energy: 0.4320393582809166
Energy: 0.3469667324373113
Energy: 0.3426582702059724
Energy: 0.34696673243845494
Energy: 0.48513251289644377
Energy: 0.3677672745208607
Energy: 0.3741958659640032
Energy: 0.3677672745225762
Energy: 0.4616920061604015
Energy: 0.38011299031614115
Energy: 0.3730108774480323
Energy: 0.38011299031556933
Energy: 0.4380387467038978
Energy: 0.3669790104684134
Energy: 0.4653295113857936
Energy: 0.36697901046898523
Energy: 0.3782723785734513
Energy: 0.37311208497686665
Energy: 0.4382914586657792
Energy: 0.3731120849780103
Energy: 0.37733895965830594
Energy: 0.3797782987260125
Energy: 0.4352506203751708
Energy: 0.3797782987260125
Energy: 0.3785297863643919
Energy: 0.3821751443199763
Energy: 0.40787367715331857
Energy: 0.3821751443199763
Energy: 0.3730240336235014
Energy: 0.3459941484394584
Energy: 0.40003675589139664
Energy: 0.3459941484383148
Energy: 0.46824267485350174
Energy: 0.43365093669929605
Energy: 0.43922178131700457
Energy: 0.4336509367004397

minimum gb energy = 0.3426582702059724 eV
minimum distance =  2.49201267348673 Angstroms
sigma value = 73


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

Energy: 0.5349162855496445
Energy: 0.4362774524392914
Energy: 0.4356072107216169
Energy: 0.4362774524383841
Energy: 0.3571526789171909
Energy: 0.387642123505474
Energy: 0.4093225188950561
Energy: 0.3876421235045667
Energy: 0.35466042945687654
Energy: 0.3553383076324375
Energy: 0.42526587069139016
Energy: 0.35533830762971585
Energy: 0.3544998825411297
Energy: 0.3557493757613415
Energy: 0.46380505344008677
Energy: 0.35574937575952703
Energy: 0.35928073955762446
Energy: 0.3571506925519295
Energy: 0.45790848680151336
Energy: 0.35715069255283677
Energy: 0.3872316365369195
Energy: 0.35772359216013583
Energy: 0.4573390543908052
Energy: 0.3577235921583214
Energy: 0.4007242627281303
Energy: 0.4232105053696639
Energy: 0.43419201716440275
Energy: 0.42321050536875665
Energy: 0.40003560290639295
Energy: 0.35477602149944576
Energy: 0.4286445173411726
Energy: 0.3547760214985385
Energy: 0.38906587973670353
Energy: 0.3929142986527277
Energy: 0.42780637871706867
Energy: 0.39291429865182037
Energy: 0.37203202177366534
Energy: 0.3520455763863799
Energy: 0.42206786815083897
Energy: 0.3520455763872871
Energy: 0.38088936017496283
Energy: 0.34510894197245373
Energy: 0.45135865502576594
Energy: 0.3451089419715465
Energy: 0.37189242296172353
Energy: 0.347635713195095
Energy: 0.44406893980634377
Energy: 0.34763571319600234
Energy: 0.4255174584696191
Energy: 0.3925670095267818
Energy: 0.3693208845295174
Energy: 0.3925670095267818
Energy: 0.4234861606137301
Energy: 0.34820366384406964
Energy: 0.3782766356713341
Energy: 0.34820366384406964
Energy: 0.4302839375446797
Energy: 0.38482251606304885
Energy: 0.36737020492020994
Energy: 0.38482251606214163
Energy: 0.4581775371230259
Energy: 0.3688207788559534
Energy: 0.36852477705018644
Energy: 0.36882077885686065
Energy: 0.45739481858617276
Energy: 0.3827707357898924
Energy: 0.40186021389525245
Energy: 0.3827707357898924
Energy: 0.43827331170526407
Energy: 0.4173229638070319
Energy: 0.4005154919174877
Energy: 0.41732296380521744
Energy: 0.41223876719658276
Energy: 0.38201398753362453
Energy: 0.40002189716456193
Energy: 0.3820139875309028
Energy: 0.4113925725768483
Energy: 0.3904721439340146
Energy: 0.4096005719448298
Energy: 0.39047214393220003
Energy: 0.4124819275242168
Energy: 0.3838871993969527
Energy: 0.3726352383545072
Energy: 0.3838871993978599
Energy: 0.45330671298659214
Energy: 0.3839072148466063
Energy: 0.4107484325988605
Energy: 0.38390721484569906

minimum gb energy = 0.3451089419715465 eV
minimum distance =  2.51960525204934 Angstroms
sigma value = 7


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

Energy: 0.6552063657920194
Energy: 0.4457876428421916
Energy: 0.44932491533610774
Energy: 0.445787642840267
Energy: 0.3676917635462491
Energy: 0.36280209710546285
Energy: 0.4396714713673491
Energy: 0.36280209710802885
Energy: 0.35825092627823973
Energy: 0.3637082685345002
Energy: 0.40221637904711327
Energy: 0.36370826853065114
Energy: 0.3603021004844556
Energy: 0.360199783499643
Energy: 0.45627088761094164
Energy: 0.36019978349900145
Energy: 0.3677697839393121
Energy: 0.36488657699714006
Energy: 0.43959740840960987
Energy: 0.36488657698815874
Energy: 0.40299552019959456
Energy: 0.36617291127733187
Energy: 0.439837788725788
Energy: 0.3661729112817934
Energy: 0.45788841179828577
Energy: 0.36495084445993525
Energy: 0.37227995840894024
Energy: 0.36495084445993525
Energy: 0.4541603977994849
Energy: 0.3661017534592329
Energy: 0.36479910879661187
Energy: 0.3661017534637235
Energy: 0.439475694727343
Energy: 0.36118122229745825
Energy: 0.35893563397060924
Energy: 0.3611812222955337
Energy: 0.44502305617546956
Energy: 0.39459054555874506
Energy: 0.3661271363248637
Energy: 0.39459054556516027
Energy: 0.45207303038161273
Energy: 0.3594017891751623
Energy: 0.4509903164838207
Energy: 0.35940178917580384
Energy: 0.41581956616902477
Energy: 0.4041184435110219
Energy: 0.45297816784408773
Energy: 0.40411844350973886
Energy: 0.4110372803075338
Energy: 0.38755545055819607
Energy: 0.41352574463817793
Energy: 0.38755545055755447
Energy: 0.4049217188881765
Energy: 0.3850525886361638
Energy: 0.3663512569563536
Energy: 0.3850525886412668
Energy: 0.41483022199240066
Energy: 0.38766012181605675
Energy: 0.3742219977857729
Energy: 0.38766012181541526
Energy: 0.4554070522341999
Energy: 0.4038354916022216
Energy: 0.4135438897751094
Energy: 0.403835491600297
Energy: 0.45252910051313006
Energy: 0.35968431306732146
Energy: 0.45659425390676844
Energy: 0.3596843130641138
Energy: 0.3709360849197999
Energy: 0.3946434003430179
Energy: 0.4030861262318496
Energy: 0.39464340033916884
Energy: 0.3595233792454381
Energy: 0.3612352850501826
Energy: 0.4552623632326843
Energy: 0.36123528504889957
Energy: 0.36515092034197266
Energy: 0.3670744648516441
Energy: 0.42946260018922217
Energy: 0.3670744648554932
Energy: 0.37214628182407217
Energy: 0.3646811839524543
Energy: 0.4397582824707709
Energy: 0.3646811839563034
Energy: 0.4546810655428015
Energy: 0.36613884597495727
Energy: 0.4028292340117919
Energy: 0.36613884597559876
Energy: 0.4555118631128472
Energy: 0.36486726631596733
Energy: 0.36719390468914037
Energy: 0.3648672663178919
Energy: 0.45480369799891235
Energy: 0.3608164920145636
Energy: 0.36010930003200753
Energy: 0.36081649201584665
Energy: 0.44277805482982346
Energy: 0.3635746062613692
Energy: 0.35838587592545573
Energy: 0.3635746062677845
Energy: 0.4484997582162606
Energy: 0.36150401306006635
Energy: 0.36516839947039054
Energy: 0.36150401306391544
Energy: 0.4492987569021262
Energy: 0.44569230088608447
Energy: 0.5489895474617282
Energy: 0.4456923008835184
Energy: 0.41279012826744094
Energy: 0.39438431695800424
Energy: 0.4127267452620641
Energy: 0.39438431695354276
Energy: 0.40356318342567166
Energy: 0.39494976467083925
Energy: 0.40730459000592634
Energy: 0.3949497646695854
Energy: 0.4124656084909555
Energy: 0.3857606577313854
Energy: 0.36605451200404066
Energy: 0.3857606577333099
Energy: 0.4556243577522229
Energy: 0.41271667167471654
Energy: 0.41847182192901133
Energy: 0.4127166716695844

minimum gb energy = 0.35825092627823973 eV
minimum distance =  2.5654263007069 Angstroms
sigma value = 29


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

Energy: 0.33541898163576395
Energy: 0.43188959779036523
Energy: 0.4197219362186749
Energy: 0.43188959779036523
Energy: 0.3541709785201375
Energy: 0.3876917071759301
Energy: 0.35297436358081286
Energy: 0.38769170717615353
Energy: 0.3546304628604221
Energy: 0.37059662637842894
Energy: 0.34919411566762365
Energy: 0.370596626377982
Energy: 0.3550732556237607
Energy: 0.3796571528953496
Energy: 0.37164026673198347
Energy: 0.3796571528953496
Energy: 0.35330953726932857
Energy: 0.3541340048227259
Energy: 0.33553343124271445
Energy: 0.3541340048238184
Energy: 0.3710255904444191
Energy: 0.3853462843873677
Energy: 0.3354887048257286
Energy: 0.38534628438759116
Energy: 0.35028735596122523
Energy: 0.36399700744807045
Energy: 0.3556528439050591
Energy: 0.36399700744697794
Energy: 0.353000477304337
Energy: 0.34481166264306945
Energy: 0.3633092397713173
Energy: 0.34481166264088453
Energy: 0.36189573448556506
Energy: 0.34460456564153413
Energy: 0.3520257346048551
Energy: 0.3446045656395727

minimum gb energy = 0.33541898163576395 eV
minimum distance =  2.55674102761219 Angstroms
sigma value = 5


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

Energy: 0.5250395915172298
Energy: 0.425062969547671
Energy: 0.42654351219126335
Energy: 0.425062969547671
Energy: 0.41344791896093347
Energy: 0.34445590288648886
Energy: 0.4336950424901043
Energy: 0.3444559028870948
Energy: 0.4292048946252319
Energy: 0.37741449749059486
Energy: 0.42134377174974114
Energy: 0.37741449748998884
Energy: 0.35619536116287404
Energy: 0.3442487000883617
Energy: 0.41622340713179984
Energy: 0.3442487000883617
Energy: 0.3973807218997788
Energy: 0.3436972984158576
Energy: 0.41952662422354026
Energy: 0.34369729841646357
Energy: 0.3454194012145937
Energy: 0.361223482032697
Energy: 0.4191142248354548
Energy: 0.36122348203330296
Energy: 0.3445753851581858
Energy: 0.34435911304669775
Energy: 0.42258178565779103
Energy: 0.3443591130473037
Energy: 0.3615688263266663
Energy: 0.3446557647021889
Energy: 0.47640558574832803
Energy: 0.3446557647021889
Energy: 0.40076843457532124
Energy: 0.36255707237797624
Energy: 0.47671370104752664
Energy: 0.36255707237858226
Energy: 0.4234269740252653
Energy: 0.33632610998209805
Energy: 0.33998870146691407
Energy: 0.33632610998270396
Energy: 0.3943767760743691
Energy: 0.33369631907976105
Energy: 0.3389368691700154
Energy: 0.3336963190791551
Energy: 0.47706855359796474
Energy: 0.33716232275188324
Energy: 0.3356710921935132
Energy: 0.33716232275248925
Energy: 0.475262798620555
Energy: 0.3330639552377488
Energy: 0.41405372498373194
Energy: 0.3330639552401728
Energy: 0.39228589212950615
Energy: 0.352818899403061
Energy: 0.41931014437744113
Energy: 0.352818899402455
Energy: 0.3450156707741235
Energy: 0.3444771633283287
Energy: 0.41961366970297725
Energy: 0.3444771633295407
Energy: 0.3629691884234452
Energy: 0.3446236673662035
Energy: 0.4147313068697928
Energy: 0.3446236673668095
Energy: 0.3455361302260639
Energy: 0.34427074580965994
Energy: 0.354393938110886
Energy: 0.34427074580965994
Energy: 0.4214829534791021
Energy: 0.3447552631226732
Energy: 0.39688152433032
Energy: 0.34475526312146126
Energy: 0.42300642673848127
Energy: 0.3781990302839046
Energy: 0.43412236370847496
Energy: 0.3781990302845106
Energy: 0.4413490119613634
Energy: 0.3444839993452913
Energy: 0.35433097353902193
Energy: 0.3444839993452913
Energy: 0.41970440581886814
Energy: 0.3517425258862702
Energy: 0.3968087407722482
Energy: 0.35174252588687616
Energy: 0.41853926471684
Energy: 0.343541412345513
Energy: 0.34439384286247704
Energy: 0.343541412346119
Energy: 0.4159373536722236
Energy: 0.34454572101830716
Energy: 0.3456810287728824
Energy: 0.3445457210164893
Energy: 0.4771977524220026
Energy: 0.3444954054347815
Energy: 0.35170705001361335
Energy: 0.3444954054353875
Energy: 0.47972452756155454
Energy: 0.3562256063440504
Energy: 0.39448640308392596
Energy: 0.35622560634283845
Energy: 0.3418976570157636
Energy: 0.3407391430965374
Energy: 0.42344555052912314
Energy: 0.3407391430947195
Energy: 0.3392703936343124
Energy: 0.3341344125256126
Energy: 0.39633984938114086
Energy: 0.3341344125262186
Energy: 0.3425338371322595
Energy: 0.3372708735163401
Energy: 0.40076013675044364
Energy: 0.3372708735169461
Energy: 0.3399083773885959
Energy: 0.33348601845874726
Energy: 0.4750081789859302
Energy: 0.33348601846056525
Energy: 0.41924247942985354
Energy: 0.3527570093825697
Energy: 0.3927646715622081
Energy: 0.3527570093819637
Energy: 0.41918958637791554
Energy: 0.3445272931837132
Energy: 0.3465894905502103
Energy: 0.3445272931831072
Energy: 0.41507195470113795
Energy: 0.34451672998053745
Energy: 0.34663619585135375
Energy: 0.3445167299817494
Energy: 0.35599962825642306
Energy: 0.34438383756940333
Energy: 0.34405457435944964
Energy: 0.3443838375675854

minimum gb energy = 0.3330639552377488 eV
minimum distance =  2.51062215363284 Angstroms
sigma value = 1


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

Energy: 0.5711390850676179
Energy: 0.3273715618141937
Energy: 0.4139198876743506
Energy: 0.3273715618133748
Energy: 0.4286397683531626
Energy: 0.32309392088695166
Energy: 0.408592690611106
Energy: 0.32309392089030314
Energy: 0.40851909996388935
Energy: 0.3648857362681752
Energy: 0.4108394565448461
Energy: 0.3648857362656615
Energy: 0.3352578268696058
Energy: 0.32311851311571094
Energy: 0.4315908490542737
Energy: 0.323118513114873
Energy: 0.3995400556033079
Energy: 0.32262108120912597
Energy: 0.4056782417901211
Energy: 0.32262108120661226
Energy: 0.3233303432580949
Energy: 0.3246487985458994
Energy: 0.4060792619741523
Energy: 0.3246487985458994
Energy: 0.3222323016276799
Energy: 0.3223936723009788
Energy: 0.43222693706990717
Energy: 0.3223936723009788
Energy: 0.3233688438289129
Energy: 0.3236001115369646
Energy: 0.4636206089780287
Energy: 0.3236001115361268
Energy: 0.4174106791993096
Energy: 0.34195702719413573
Energy: 0.4598411563690217
Energy: 0.34195702719914395
Energy: 0.40607885494395635
Energy: 0.3292703498741127
Energy: 0.3228915974483088
Energy: 0.32927034987327475
Energy: 0.4331918483651651
Energy: 0.3227891437581516
Energy: 0.3228022659877206
Energy: 0.32278914375898954
Energy: 0.4561509302721579
Energy: 0.32796772791084106
Energy: 0.32431067564335875
Energy: 0.32796772791000317
Energy: 0.45938772978366366
Energy: 0.32285571432812643
Energy: 0.3228407109005802
Energy: 0.32285571432812643
Energy: 0.4313590941397929
Energy: 0.3229236137074769
Energy: 0.40966627014682094
Energy: 0.32292361370580114
Energy: 0.33699296726748057
Energy: 0.3644480893361572
Energy: 0.40992676727582283
Energy: 0.364448089336995
Energy: 0.33286895599426713
Energy: 0.32328930621185764
Energy: 0.4316131607424048
Energy: 0.3232893062126956
Energy: 0.32914921046131596
Energy: 0.32674067875280494
Energy: 0.42036154076842586
Energy: 0.3267406787511291
Energy: 0.33017768955076443
Energy: 0.3291463081288059
Energy: 0.40755697061979224
Energy: 0.32914630812713014
Energy: 0.32634615357968033
Energy: 0.3267663655536549
Energy: 0.46002736005354494
Energy: 0.3267663655503224
Energy: 0.3385380565155317
Energy: 0.3373652691561185
Energy: 0.45955668898822033
Energy: 0.33736526915529963
Energy: 0.40651547708823144
Energy: 0.33737459509042755
Energy: 0.4322355115749331
Energy: 0.3373745950887518
Energy: 0.4076117985682586
Energy: 0.3230933768115116
Energy: 0.32421771746186584
Energy: 0.3230933768123495
Energy: 0.4312068709437319
Energy: 0.3224122412086055
Energy: 0.3239944219701883
Energy: 0.32241224120692974
Energy: 0.45829393134780855
Energy: 0.32298978816175455
Energy: 0.3234181788005897
Energy: 0.3229897881600788

minimum gb energy = 0.3222323016276799 eV
minimum distance =  2.52074231443052 Angstroms
sigma value = 17


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

Energy: 0.628644119831905
Energy: 0.4185502938535483
Energy: 0.42041491755802907
Energy: 0.4185502938530305
Energy: 0.3855364269513436
Energy: 0.32722976790257574
Energy: 0.3893697266687966
Energy: 0.3272297679020579
Energy: 0.4479756914066318
Energy: 0.32719758697893997
Energy: 0.39510692110563883
Energy: 0.32719758697738627
Energy: 0.4538150045153921
Energy: 0.34709884704896093
Energy: 0.38612904070357157
Energy: 0.34709884704844307
Energy: 0.41981212264751516
Energy: 0.31890450601369014
Energy: 0.4889915776450236
Energy: 0.3189045060152438
Energy: 0.3191938517962804
Energy: 0.31858818436444314
Energy: 0.42726800077887006
Energy: 0.3185881843654789
Energy: 0.31956782175006915
Energy: 0.3186921939552477
Energy: 0.36043806446185755
Energy: 0.31869219395472986
Energy: 0.32482339141588107
Energy: 0.3189622223749167
Energy: 0.4383874667805345
Energy: 0.31896222237439886
Energy: 0.42148202745455005
Energy: 0.3187336825711103
Energy: 0.4160419713060474
Energy: 0.31873368257214607
Energy: 0.3941556972999651
Energy: 0.3483739163760948
Energy: 0.38233148668749795
Energy: 0.3483739163750591
Energy: 0.4199864989669698
Energy: 0.32710859793234515
Energy: 0.333746902504674
Energy: 0.32710859793079156
Energy: 0.46667321207971285
Energy: 0.3276666855748501
Energy: 0.37505388827850844
Energy: 0.3276666855748501
Energy: 0.4851357440912774
Energy: 0.32740175069505234
Energy: 0.3273061590255301
Energy: 0.32740175069505234
Energy: 0.3899324978106242
Energy: 0.3269692748905737
Energy: 0.32831012137029764
Energy: 0.32696927489264527
Energy: 0.44960848423621835
Energy: 0.32740445014166575
Energy: 0.33282274730075817
Energy: 0.3274044501437373
Energy: 0.42478042559077567
Energy: 0.3360529661580414
Energy: 0.37830617604123423
Energy: 0.33605296615855934
Energy: 0.33547470252498957
Energy: 0.32971169270149897
Energy: 0.44414982881521314
Energy: 0.32971169270201683
Energy: 0.32974680045428467
Energy: 0.3273446514577941
Energy: 0.4229983117923915
Energy: 0.3273446514572763
Energy: 0.35240862029270625
Energy: 0.32769759019603295
Energy: 0.41495661127565536
Energy: 0.3276975901955151
Energy: 0.33311905283464116
Energy: 0.32732287808738103
Energy: 0.43273226583300034
Energy: 0.32732287808841676
Energy: 0.38814454991413416
Energy: 0.32696385855462895
Energy: 0.38896531746049645
Energy: 0.32696385855411103
Energy: 0.39537906324037275
Energy: 0.33105881247839203
Energy: 0.4491127173369483
Energy: 0.3310588124768384
Energy: 0.3485934283424305
Energy: 0.3764042227790874
Energy: 0.45071808170538735
Energy: 0.37640422278012314
Energy: 0.4420473889537302
Energy: 0.31901955268970156
Energy: 0.366392728907342
Energy: 0.31901955269073734
Energy: 0.42403587380842417
Energy: 0.3202008102315219
Energy: 0.3182754596422199
Energy: 0.3202008102294504
Energy: 0.36070441066366515
Energy: 0.3188359213081462
Energy: 0.32543312243752953
Energy: 0.31883592130711047
Energy: 0.42457163793053054
Energy: 0.31961096645895987
Energy: 0.3278573942425414
Energy: 0.3196109664563705
Energy: 0.4560949056053088
Energy: 0.3188733613414605
Energy: 0.4231777322921067
Energy: 0.31887336134249633
Energy: 0.38065803321928443
Energy: 0.3474027318837205
Energy: 0.39492906443677034
Energy: 0.3474027318868278
Energy: 0.3345468749819422
Energy: 0.3265145746765775
Energy: 0.4177995577482737
Energy: 0.3265145746770954
Energy: 0.37494692758949916
Energy: 0.32581412663985787
Energy: 0.4690989037117603
Energy: 0.32581412663675063
Energy: 0.3273185550283226
Energy: 0.3264218099620611
Energy: 0.4219977998437632
Energy: 0.3264218099615432
Energy: 0.32690119345210206
Energy: 0.3267436779890744
Energy: 0.3908208411949063
Energy: 0.3267436779890744
Energy: 0.3328609753917346
Energy: 0.32767650103670465
Energy: 0.45212620833310807
Energy: 0.32767650103722257
Energy: 0.3781776366161619
Energy: 0.33797955431132226
Energy: 0.43334390091802555
Energy: 0.3379795543118401
Energy: 0.47850209204378175
Energy: 0.3277416674246751
Energy: 0.3274045265273437
Energy: 0.32774166742519295
Energy: 0.3786447069167975
Energy: 0.32728426153413986
Energy: 0.32907517344945897
Energy: 0.3272842615325863
Energy: 0.431988793344171
Energy: 0.3277845081023616
Energy: 0.32821090717487145
Energy: 0.3277845081013258

minimum gb energy = 0.3182754596422199 eV
minimum distance =  2.51401664000684 Angstroms
sigma value = 89


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

Energy: 0.6797777192473788
Energy: 0.29280656766324176
Energy: 0.29287788958975325
Energy: 0.2928065676605624
Energy: 0.29411901775251376
Energy: 0.32634865629775006
Energy: 0.2938952808213735
Energy: 0.32634865629639503
Energy: 0.28880158149211915
Energy: 0.3258705394848229
Energy: 0.3068586192580278
Energy: 0.3258705394834679
Energy: 0.2910448653620746
Energy: 0.3274539679497487
Energy: 0.29317240422531343
Energy: 0.32745396795110376
Energy: 0.2928279428790757
Energy: 0.29250965675881
Energy: 0.3043011234709068
Energy: 0.29250965676016505
Energy: 0.2931770055779864
Energy: 0.29301219645427007
Energy: 0.303753721696328
Energy: 0.29301219645427007
Energy: 0.2942524735769591
Energy: 0.2922389922523279
Energy: 0.2933742447657785
Energy: 0.2922389922523279
Energy: 0.29304743208644185
Energy: 0.29319331569600354
Energy: 0.28911678465970087
Energy: 0.29319331569735857
Energy: 0.29390302189005374
Energy: 0.2925868385758506
Energy: 0.28970755012258725
Energy: 0.2925868385758506
Energy: 0.30683017447266225
Energy: 0.32778729691263025
Energy: 0.30781600737480097
Energy: 0.32778729691263025
Energy: 0.2936657418439221
Energy: 0.32502362578981164
Energy: 0.28899948807370485
Energy: 0.32502362578981164
Energy: 0.3037908984556539
Energy: 0.29390758751656776
Energy: 0.29361481323226857
Energy: 0.29390758751521273
Energy: 0.3315267007941396
Energy: 0.2929069860804183
Energy: 0.29352716427074366
Energy: 0.2929069860804183
Energy: 0.2931242975732414
Energy: 0.2930426519039057
Energy: 0.292830008042081
Energy: 0.2930426519039057
Energy: 0.2895402683014947
Energy: 0.2931338799289985
Energy: 0.2950898917319379
Energy: 0.2931338799276434

minimum gb energy = 0.28880158149211915 eV
minimum distance =  2.55886406571378 Angstroms
sigma value = 13


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

Energy: 0.5914376157085902
Energy: 0.2920660189426518
Energy: 0.39503792521119435
Energy: 0.2920660189568505
Energy: 0.41320352256875925
Energy: 0.28860571600918483
Energy: 0.3655529525184464
Energy: 0.28860571600634505
Energy: 0.31016791163667434
Energy: 0.28867380923403513
Energy: 0.3567828126997837
Energy: 0.2886738092323313
Energy: 0.41748533804919025
Energy: 0.28927439953633477
Energy: 0.4009532501238314
Energy: 0.28927439952781553
Energy: 0.40227620872261566
Energy: 0.2890715526184271
Energy: 0.3626038977189743
Energy: 0.28907155261501943
Energy: 0.35821203139425284
Energy: 0.28865367198001096
Energy: 0.3625521450072137
Energy: 0.28865367197944297
Energy: 0.35695923476230557
Energy: 0.2885325232382862
Energy: 0.40025831939410483
Energy: 0.28853252323317463
Energy: 0.3484705102971774
Energy: 0.2898239234522405
Energy: 0.35960265551469917
Energy: 0.28982392344996877
Energy: 0.2964838275582585
Energy: 0.2898275961569398
Energy: 0.3581297546568838
Energy: 0.289827596155236
Energy: 0.2941054470579445
Energy: 0.28878259960881697
Energy: 0.3593874373127216
Energy: 0.2887825996025696
Energy: 0.30041868333426514
Energy: 0.29023426054577395
Energy: 0.5921020369306258
Energy: 0.2902342605474778
Energy: 0.3524238515234489
Energy: 0.289093380486194
Energy: 0.3590811445551545
Energy: 0.2890933804844901
Energy: 0.36205280562063974
Energy: 0.30561340523166824
Energy: 0.36454906108720825
Energy: 0.3056134052333721
Energy: 0.4005586181552689
Energy: 0.3069769211770527
Energy: 0.41784677155055083
Energy: 0.30697692117250913
Energy: 0.35991981279162544
Energy: 0.2892101177511509
Energy: 0.40096249221655234
Energy: 0.28921011774887906
Energy: 0.35877393254664613
Energy: 0.28907356272982937
Energy: 0.2929658496894023
Energy: 0.28907356273153323
Energy: 0.39986763898876027
Energy: 0.2893433631525917
Energy: 0.29178343784310723
Energy: 0.28934336314861603
Energy: 0.30841827269519734
Energy: 0.28957782205904686
Energy: 0.2932186240287708
Energy: 0.28957782205847893
Energy: 0.39349417188865893
Energy: 0.28932886414428666
Energy: 0.34355995054244104
Energy: 0.28932886414258285
Energy: 0.3595603332895758
Energy: 0.2884910319744374
Energy: 0.36173180172966174
Energy: 0.2884910319704618
Energy: 0.42992698579069016
Energy: 0.290198345046829
Energy: 0.3546390082166906
Energy: 0.2901983450456931
Energy: 0.35911304988353143
Energy: 0.312440001078313
Energy: 0.36279476760678625
Energy: 0.3124400010749053
Energy: 0.3580594062504954
Energy: 0.2889506348743476
Energy: 0.36241393868967287
Energy: 0.28895063487718736
Energy: 0.2927023378946471
Energy: 0.2887105783937906
Energy: 0.4013788429097205
Energy: 0.2887105783920867
Energy: 0.34577982697075677
Energy: 0.28944220992289194
Energy: 0.35891351010279204
Energy: 0.28944220992062014
Energy: 0.2901934435272186
Energy: 0.2886839232492506
Energy: 0.3583208951510156
Energy: 0.2886839232515223
Energy: 0.2891135891956638
Energy: 0.2891256522403248
Energy: 0.4028372402642743
Energy: 0.2891256522460043
Energy: 0.2888447635314294
Energy: 0.2897166619469077
Energy: 0.30807064232221715
Energy: 0.28971666194293216
Energy: 0.35338162510062227
Energy: 0.289768996421539
Energy: 0.3940457689957107
Energy: 0.28976899641585957
Energy: 0.36182274843611495
Energy: 0.3068763845707389
Energy: 0.4126934946557263
Energy: 0.3068763845701709
Energy: 0.40039320638809456
Energy: 0.30856506071084633
Energy: 0.43114442204416903
Energy: 0.3085650607080066
Energy: 0.35865121589263
Energy: 0.289066611560413
Energy: 0.4008003566728126
Energy: 0.2890666115575733
Energy: 0.3595605739941959
Energy: 0.28983700179812244
Energy: 0.29478406200680735
Energy: 0.28983700180096217
Energy: 0.401040821206651
Energy: 0.2891678554133288
Energy: 0.2896360771637446
Energy: 0.28916785540708134
Energy: 0.3937505212928605
Energy: 0.2894472369535465
Energy: 0.29254106147440817
Energy: 0.28944723695922603

minimum gb energy = 0.2884910319704618 eV
minimum distance =  2.54441934787635 Angstroms
sigma value = 37


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

Energy: 0.5027244149412662
Energy: 0.2640054822240435
Energy: 0.2636818758974406
Energy: 0.26400548222306647
Energy: 0.4602831724159497
Energy: 0.2634776407493541
Energy: 0.3712481580398545
Energy: 0.2634776407493541
Energy: 0.4496262210471448
Energy: 0.2638547554088346
Energy: 0.3626423642223495
Energy: 0.2638547554078574
Energy: 0.4490626122506197
Energy: 0.29598641965362743
Energy: 0.35850540297006056
Energy: 0.29598641965460465
Energy: 0.45876552298874906
Energy: 0.2976269259949848
Energy: 0.35907377929664724
Energy: 0.2976269259949848
Energy: 0.3626295371298484
Energy: 0.263716487629286
Energy: 0.3579312876520099
Energy: 0.263716487629286
Energy: 0.26118842716525364
Energy: 0.26380083886590183
Energy: 0.45864064571181107
Energy: 0.26380083886590183
Energy: 0.2709485704260285
Energy: 0.2649827420431209
Energy: 0.3551272178055042
Energy: 0.2649827420431209
Energy: 0.2642168252838379
Energy: 0.26464738526222237
Energy: 0.4540698405311911
Energy: 0.26464738526222237
Energy: 0.2757219025841088
Energy: 0.26419838148818403
Energy: 0.46029564428159353
Energy: 0.2641983814872069
Energy: 0.26368187590134917
Energy: 0.26400548222306647
Energy: 0.5027244149422433
Energy: 0.26400548222306647
Energy: 0.37124815803887734
Energy: 0.26347764075033125
Energy: 0.4602831724139954
Energy: 0.26347764075033125
Energy: 0.36264236422332663
Energy: 0.2638547554088346
Energy: 0.4496262210471448
Energy: 0.2638547554088346
Energy: 0.35850540296908345
Energy: 0.29598641965362743
Energy: 0.44906261225159677
Energy: 0.29598641965558176
Energy: 0.35907377929567014
Energy: 0.2976269259949848
Energy: 0.4587655229897262
Energy: 0.2976269259949848
Energy: 0.3579312876510327
Energy: 0.2637164876302631
Energy: 0.36262953712887125
Energy: 0.263716487629286
Energy: 0.45864064571278823
Energy: 0.26380083886590183
Energy: 0.26118842716525364
Energy: 0.26380083886687894
Energy: 0.3551272178142984
Energy: 0.2649827420431209
Energy: 0.2709485704240964
Energy: 0.2649827420421438
Energy: 0.4540698405321682
Energy: 0.2646473852631995
Energy: 0.2642168252828607
Energy: 0.2646473852631995
Energy: 0.46029564428159353
Energy: 0.2641983814872069
Energy: 0.2757219025841088
Energy: 0.26419838148818403

minimum gb energy = 0.26118842716525364 eV
minimum distance =  2.56499071018047 Angstroms
sigma value = 25


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

Energy: 0.6264285705159849
Energy: 0.24629478639080038
Energy: 0.24516679079348624
Energy: 0.2462947863969045
Energy: 0.4708541430869723
Energy: 0.24486182540588972
Energy: 0.3253525913333877
Energy: 0.2448618254043637
Energy: 0.539074132499828
Energy: 0.2442617283437102
Energy: 0.32484761486229474
Energy: 0.2442617283437102
Energy: 0.419821981510561
Energy: 0.2441983819530492
Energy: 0.4106469427415231
Energy: 0.24419838195228616
Energy: 0.41044180391067764
Energy: 0.2705835407195676
Energy: 0.4708244373714424
Energy: 0.2705835407195676
Energy: 0.3998403834386786
Energy: 0.26988610407320945
Energy: 0.47050340323347445
Energy: 0.26988610407397245
Energy: 0.4013523578299589
Energy: 0.27114312431957305
Energy: 0.4086914691532332
Energy: 0.27114312431957305
Energy: 0.32319883598941607
Energy: 0.24622290023635218
Energy: 0.4685012875975347
Energy: 0.24622290023558915
Energy: 0.3241226613723125
Energy: 0.24419757187656288
Energy: 0.4704102515666812
Energy: 0.24419757187579982
Energy: 0.3254934396680502
Energy: 0.2452418417159918
Energy: 0.47094592774395505
Energy: 0.24524184171522878
Energy: 0.2442988463868047
Energy: 0.24610881437167337
Energy: 0.522907178852071
Energy: 0.24610881437167337
Energy: 0.24733821919158014
Energy: 0.2445963583331963
Energy: 0.47080680294078964
Energy: 0.2445963583331963
Energy: 0.2462346794617385
Energy: 0.24515439442826478
Energy: 0.4023113084224578
Energy: 0.24515439442673873
Energy: 0.3233811201821766
Energy: 0.24568460932286892
Energy: 0.534236150521938
Energy: 0.245684609326684
Energy: 0.3243684039029587
Energy: 0.24472560772634772
Energy: 0.4720004538727282
Energy: 0.2447256077255847
Energy: 0.3256500766455744
Energy: 0.2443379992815171
Energy: 0.5368891707141781
Energy: 0.24433799928228012
Energy: 0.4123150461804677
Energy: 0.24554925738069325
Energy: 0.5369712483640017
Energy: 0.24554925738145625
Energy: 0.33219618299515336
Energy: 0.27042975844919864
Energy: 0.4122102109661121
Energy: 0.27042975844919864
Energy: 0.4700180190699713
Energy: 0.2700381120704323
Energy: 0.4007817524006511
Energy: 0.2700381120704323
Energy: 0.47087701664246906
Energy: 0.2698358838700301
Energy: 0.3999713880990893
Energy: 0.26983588386926705
Energy: 0.5239858403487714
Energy: 0.24482839160610972
Energy: 0.3248673510755678
Energy: 0.24482839160687275
Energy: 0.4710542854462665
Energy: 0.24466034544257473
Energy: 0.24454891384851135
Energy: 0.24466034543952267
Energy: 0.46851353467177803
Energy: 0.24499258670600443
Energy: 0.3224715990624237
Energy: 0.24499258670524143
Energy: 0.46748790192667816
Energy: 0.24543257234834118
Energy: 0.245772444954196
Energy: 0.24543257234757815
Energy: 0.47199930857382444
Energy: 0.24433732359708843
Energy: 0.2447048230359981
Energy: 0.2443373235955624
Energy: 0.5345897760503086
Energy: 0.2449834252179761
Energy: 0.24537807085783198
Energy: 0.2449834252179761

minimum gb energy = 0.24419757187579982 eV
minimum distance =  2.56265631124152 Angstroms
sigma value = 41


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

Energy: 0.7061589485488801
Energy: 0.23205224375017436
Energy: 0.2316854980209019
Energy: 0.23205224395714535
Energy: 0.5376865941489951
Energy: 0.22987737383850787
Energy: 0.2979333433994513
Energy: 0.22987737383913343
Energy: 0.5982422849751604
Energy: 0.2295438372512315
Energy: 0.2982394915430488
Energy: 0.22954383725185704
Energy: 0.47713079431801264
Energy: 0.2297813993554133
Energy: 0.36920258296778374
Energy: 0.2297813993554133
Energy: 0.48462674785969934
Energy: 0.2805132934736204
Energy: 0.4242404938106098
Energy: 0.2805132934742459
Energy: 0.47993423836444254
Energy: 0.3171716145206631
Energy: 0.4215266236230056
Energy: 0.3171716145212886
Energy: 0.4830367119518112
Energy: 0.31864621044688207
Energy: 0.4865344852320088
Energy: 0.3186462104481332
Energy: 0.4202050608231037
Energy: 0.27794342645826964
Energy: 0.4300718264819329
Energy: 0.27794342645952075
Energy: 0.36169112894132877
Energy: 0.31645076301809666
Energy: 0.5391976559628615
Energy: 0.3164507630168456
Energy: 0.3611364376757813
Energy: 0.2797443711474747
Energy: 0.5376557072046941
Energy: 0.2797443711481003
Energy: 0.29663811571212045
Energy: 0.23080142324072045
Energy: 0.6177027080386488
Energy: 0.23080142324009492
Energy: 0.29788760960624183
Energy: 0.2315998009917955
Energy: 0.5375507672247403
Energy: 0.2315998009892933
Energy: 0.2964115953444674
Energy: 0.2297471850493697
Energy: 0.5362514230729566
Energy: 0.2297471850487441
Energy: 0.22978381985682295
Energy: 0.23034431628339025
Energy: 0.5350624509347347
Energy: 0.2303443162846414
Energy: 0.23085783811282853
Energy: 0.22952217778755188
Energy: 0.48573098683172844
Energy: 0.22952217778692632
Energy: 0.2332672037627573
Energy: 0.23029666449762004
Energy: 0.4777019658827656
Energy: 0.23029666449636896
Energy: 0.30057383134663335
Energy: 0.23036551093634225
Energy: 0.47879655397885584
Energy: 0.23036551093446558
Energy: 0.3011225102392195
Energy: 0.2301042423227252
Energy: 0.48380153918383484
Energy: 0.2301042423227252
Energy: 0.3013759042426384
Energy: 0.2297345407440148
Energy: 0.48082583989009775
Energy: 0.22973454074276375
Energy: 0.4229587256881666
Energy: 0.22994378522768463
Energy: 0.4799342227463074
Energy: 0.2299437852270591
Energy: 0.4503567140567008
Energy: 0.28174188789909876
Energy: 0.4855141660579263
Energy: 0.28174188789909876
Energy: 0.4230244156558252
Energy: 0.28111657858421546
Energy: 0.4788778427340021
Energy: 0.28111657858358996
Energy: 0.5395889699618172
Energy: 0.3174974532084026
Energy: 0.47875396565272854
Energy: 0.31749745320715145
Energy: 0.4243563375023491
Energy: 0.28194554357578566
Energy: 0.4227693776506549
Energy: 0.28194554357578566
Energy: 0.5383397467508361
Energy: 0.28181545855710877
Energy: 0.3699275825386108
Energy: 0.28181545855710877
Energy: 0.5385253378478622
Energy: 0.22968069906610164
Energy: 0.4226492161143606
Energy: 0.22968069906610164
Energy: 0.5364002553647269
Energy: 0.22964939309462593
Energy: 0.3023767022281923
Energy: 0.22964939309525148
Energy: 0.48397744221085004
Energy: 0.23016469623012717
Energy: 0.3017552846381155
Energy: 0.23016469623012717
Energy: 0.5357470545694388
Energy: 0.23014391176487733
Energy: 0.30025389714281603
Energy: 0.23014391176362625
Energy: 0.5387117751665024
Energy: 0.23017038342456272
Energy: 0.23409959167485284
Energy: 0.23017038342456272
Energy: 0.4841726130557131
Energy: 0.22970282148905824
Energy: 0.2305227500293987
Energy: 0.2297028214884327
Energy: 0.4805914836658373
Energy: 0.23076709732274742
Energy: 0.23035654045295767
Energy: 0.23076709732399855

minimum gb energy = 0.22952217778692632 eV
minimum distance =  2.57170896597046 Angstroms
sigma value = 15


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

Energy: 0.6071300835174166
Energy: 0.221862174556667
Energy: 0.34289514181244757
Energy: 0.2218621747393954
Energy: 0.5851745506451639
Energy: 0.21863837303059722
Energy: 0.27814908813262773
Energy: 0.21863837303059722
Energy: 0.6377988886071659
Energy: 0.22000127275776718
Energy: 0.27820498811358013
Energy: 0.22000127275723724
Energy: 0.5449103049389731
Energy: 0.21909886927046704
Energy: 0.38898907897082163
Energy: 0.21909886927099698
Energy: 0.5406177808467252
Energy: 0.21864002038243951
Energy: 0.384915761707584
Energy: 0.21864002038402927
Energy: 0.5386174994925138
Energy: 0.2998664680905114
Energy: 0.38401831067885234
Energy: 0.2998664680889216
Energy: 0.43604287220767357
Energy: 0.26518801125308167
Energy: 0.4881161965415894
Energy: 0.2651880112520218
Energy: 0.48946119871615806
Energy: 0.3023160785655082
Energy: 0.3869649395830347
Energy: 0.3023160785655082
Energy: 0.4349494127266561
Energy: 0.3005229640300585
Energy: 0.48575853629343224
Energy: 0.30052296403111833
Energy: 0.43374975672473315
Energy: 0.2999864921651169
Energy: 0.5857636587452641
Energy: 0.29998649216458695
Energy: 0.3879249877970782
Energy: 0.21933706171573866
Energy: 0.5357732306254778
Energy: 0.21933706171573866
Energy: 0.3321175230496563
Energy: 0.2660297893218944
Energy: 0.5852844912144051
Energy: 0.2660297893213645
Energy: 0.3843355555103122
Energy: 0.2190917628106128
Energy: 0.5872196591107991
Energy: 0.21909176281114273
Energy: 0.27680227673144747
Energy: 0.21950177896922057
Energy: 0.4913724994266106
Energy: 0.21950177897081033
Energy: 0.27747153777740774
Energy: 0.2188412931853345
Energy: 0.5404019644535943
Energy: 0.21884129318268483
Energy: 0.2795264035475235
Energy: 0.2185350240117975
Energy: 0.5894896485374767
Energy: 0.2185350240112676
Energy: 0.21865754208762603
Energy: 0.21881763767432388
Energy: 0.592139044359934
Energy: 0.21881763767485382
Energy: 0.21862645300363248
Energy: 0.2176334899718115
Energy: 0.539936668320653
Energy: 0.2176334899712816
Energy: 0.22537663067262126
Energy: 0.21843891777580285
Energy: 0.540580320112649
Energy: 0.2184389177768627
Energy: 0.2804350408146175
Energy: 0.21863889595587574
Energy: 0.6390683597043681
Energy: 0.21863889595640565
Energy: 0.2763276664293313
Energy: 0.21835894978606019
Energy: 0.5400891828274561
Energy: 0.21835894978500034
Energy: 0.2773923372805284
Energy: 0.21875540767660362
Energy: 0.5430641833646968
Energy: 0.2187554076760737
Energy: 0.3842855131635827
Energy: 0.21861229473860064
Energy: 0.536482071776709
Energy: 0.21861229473913057
Energy: 0.38662858707693254
Energy: 0.26643797988748624
Energy: 0.5856778667557055
Energy: 0.26643797988960594
Energy: 0.3869137895004128
Energy: 0.21925972115440884
Energy: 0.4641108846876373
Energy: 0.2192597211538789
Energy: 0.48706578902666364
Energy: 0.2995219511556315
Energy: 0.5870224493197203
Energy: 0.2995219511556315
Energy: 0.38419584267386087
Energy: 0.3009238572132809
Energy: 0.48661286906454
Energy: 0.3009238572132809
Energy: 0.49039559142562195
Energy: 0.30471086276927783
Energy: 0.440675469859582
Energy: 0.3047108627703377
Energy: 0.48905308822915633
Energy: 0.26548006717112926
Energy: 0.4876672884075778
Energy: 0.26548006717112926
Energy: 0.4866499422087941
Energy: 0.26643273018347613
Energy: 0.38463411574701806
Energy: 0.2664327301829462
Energy: 0.5396538365030579
Energy: 0.21852070985530364
Energy: 0.33222331863159393
Energy: 0.21852070985318392
Energy: 0.49050712150625325
Energy: 0.22139918969832986
Energy: 0.3885275211025464
Energy: 0.2213991896956802
Energy: 0.5880594367115655
Energy: 0.22097591953598014
Energy: 0.27835188945474515
Energy: 0.22097591953598014
Energy: 0.5851391937029637
Energy: 0.2186962378096438
Energy: 0.2781598951484231
Energy: 0.2186962378096438
Energy: 0.537770111208021
Energy: 0.21853925810749944
Energy: 0.23100239015584242
Energy: 0.21853925810590968
Energy: 0.5851412703007781
Energy: 0.21815082947310954
Energy: 0.22211262094754491
Energy: 0.21815082947310954
Energy: 0.6356153606067458
Energy: 0.21830521289854074
Energy: 0.21994091838928276
Energy: 0.2183052128974809

minimum gb energy = 0.2176334899712816 eV
minimum distance =  2.57872270989618 Angstroms
sigma value = 85


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

Energy: 0.6848322698274018
Energy: 0.1968790901258688
Energy: 0.1968653262138757
Energy: 0.19687909014103583
Energy: 0.6088892704815595
Energy: 0.19727595823531308
Energy: 0.24968873160823926
Energy: 0.19727595823807076
Energy: 0.5659220522121468
Energy: 0.1976080862681968
Energy: 0.2500340444294875
Energy: 0.19760808626957557
Energy: 0.49622845290929635
Energy: 0.19718674942291933
Energy: 0.341132821309306
Energy: 0.19718674942245976
Energy: 0.5691836744909612
Energy: 0.19759245580922077
Energy: 0.3427781574174268
Energy: 0.19759245580600351
Energy: 0.49850293503412757
Energy: 0.19732359269839028
Energy: 0.34264548843864573
Energy: 0.19732359269793065
Energy: 0.4967362615668744
Energy: 0.19690691617322484
Energy: 0.43207000998182205
Energy: 0.19690691617828052
Energy: 0.5219781459804912
Energy: 0.19696573530507425
Energy: 0.3666187838326773
Energy: 0.19696573530599346
Energy: 0.49803147569973
Energy: 0.27611354255711756
Energy: 0.4321670194036845
Energy: 0.2761135425584964
Energy: 0.4983144512440652
Energy: 0.2757098286500984
Energy: 0.5212825411167759
Energy: 0.27570982865055804
Energy: 0.4320592111748089
Energy: 0.2743643756357705
Energy: 0.4966952123864782
Energy: 0.27436437563347243
Energy: 0.40812665598564457
Energy: 0.2756276499534993
Energy: 0.5213111608998756
Energy: 0.2756276499544185
Energy: 0.43201541683542716
Energy: 0.2745097050708556
Energy: 0.5430610774104255
Energy: 0.2745097050713152
Energy: 0.34022172922690286
Energy: 0.1968412096104525
Energy: 0.4517882189580208
Energy: 0.19684120960907367
Energy: 0.3244007183029255
Energy: 0.19676225441385514
Energy: 0.5491699651852329
Energy: 0.19676225441523396
Energy: 0.34182530339149586
Energy: 0.19659438333179155
Energy: 0.5407340618575301
Energy: 0.19659438333133192
Energy: 0.24576141240285426
Energy: 0.1965503899177094
Energy: 0.540717168281697
Energy: 0.1965503899186286
Energy: 0.24884200141633728
Energy: 0.19694765886771767
Energy: 0.5666070656778026
Energy: 0.1969476588645004
Energy: 0.24363294709179803
Energy: 0.19551832752494486
Energy: 0.5658872045301979
Energy: 0.19551832752770248
Energy: 0.22110075361094478
Energy: 0.19554426579772438
Energy: 0.5655843652856456
Energy: 0.1955442657986436
Energy: 0.22131233000801565
Energy: 0.19558660838135225
Energy: 0.5656963363340436
Energy: 0.19558660838365027
Energy: 0.2205730879118237
Energy: 0.19681909767288167
Energy: 0.5619519648373783
Energy: 0.19681909767150282
Energy: 0.2713982504166362
Energy: 0.1957495607717011
Energy: 0.5642319698011824
Energy: 0.1957495607703223
Energy: 0.274567055842769
Energy: 0.1973382366581965
Energy: 0.5643868246207929
Energy: 0.19733823665865607
Energy: 0.26976166089968856
Energy: 0.19588679377250856
Energy: 0.4961679991459898
Energy: 0.19588679377296817
Energy: 0.3420732061644316
Energy: 0.19724291777937822
Energy: 0.6289070611049192
Energy: 0.19724291777845898
Energy: 0.3402255630563294
Energy: 0.19727551254283965
Energy: 0.5869812833964765
Energy: 0.19727551254329923
Energy: 0.389656656331111
Energy: 0.19543442400747466
Energy: 0.49691212273754765
Energy: 0.19543442400747466
Energy: 0.43104517022846817
Energy: 0.19665706929057708
Energy: 0.5644054914279306
Energy: 0.19665706929011748
Energy: 0.4326426198434965
Energy: 0.27367649925073745
Energy: 0.49889117030190927
Energy: 0.2736764992516566
Energy: 0.4847760418578284
Energy: 0.19705337443816207
Energy: 0.40702628855436146
Energy: 0.1970533744390813
Energy: 0.45262189769170413
Energy: 0.27479722893942077
Energy: 0.5041425751161016
Energy: 0.2747972289412592
Energy: 0.5221243074622983
Energy: 0.2746642982216257
Energy: 0.4081964353364834
Energy: 0.2746642982225449
Energy: 0.5697322051229695
Energy: 0.27455409669126724
Energy: 0.40915566613628246
Energy: 0.2745540966880709
Energy: 0.49484122228790567
Energy: 0.19749710196757392
Energy: 0.34124228607439955
Energy: 0.19749710196757392
Energy: 0.5683664093568983
Energy: 0.1978272962084514
Energy: 0.34240640499040165
Energy: 0.197827296206613
Energy: 0.5675546791974455
Energy: 0.19734348622163586
Energy: 0.34246579018135664
Energy: 0.19734348622255507
Energy: 0.5406656870698643
Energy: 0.19715282410048993
Energy: 0.24688404495108796
Energy: 0.1971528240977323
Energy: 0.5688044146804733
Energy: 0.19721421827891433
Energy: 0.24853389238639187
Energy: 0.19721421827891433
Energy: 0.5658515434668984
Energy: 0.1973489008047326
Energy: 0.24659756815803485
Energy: 0.19734890080565182
Energy: 0.5402320681627946
Energy: 0.19776077902184175
Energy: 0.19720508256883446
Energy: 0.1977607790209225
Energy: 0.5686431205798664
Energy: 0.19711414972114152
Energy: 0.19714394844755684
Energy: 0.19711414972114152
Energy: 0.5657630098145354
Energy: 0.19778457983433598
Energy: 0.19711086491711513
Energy: 0.19778457983479555

minimum gb energy = 0.19543442400747466 eV
minimum distance =  2.57350545931163 Angstroms
sigma value = 113


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

Energy: 0.012444894134974273
Energy: 0.1838214220143126
Energy: 0.513520154245558
Energy: 0.18382142201464632
Energy: 0.38341631601754655
Energy: 0.05676960671117695
Energy: 0.3847637734715389
Energy: 0.05676960671082362
Energy: 0.013347193608373664
Energy: 0.05691733316834254
Energy: 0.3828525838467376
Energy: 0.056917333169029555
Energy: 0.01427443101056366
Energy: 0.056350069716745554
Energy: 0.382401880271208
Energy: 0.056350069716745554
Energy: 0.38265825200929704
Energy: 0.056044577168705395
Energy: 0.38317441611885134
Energy: 0.05604457716903909
Energy: 0.01356642398191502
Energy: 0.05651379976712098
Energy: 0.38279246487694407
Energy: 0.05651379976676766

minimum gb energy = 0.012444894134974273 eV
minimum distance =  2.82572942031667 Angstroms
sigma value = 1