Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324625968933
cohesive_energy=4.122759316665687
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19]
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: 0.012742794233755106
Energy: 0.2150838135845073
Energy: 0.21445158354889454
Energy: 0.2144023702761875
Energy: 0.21549703441191204
Energy: 0.012909904134868718
Energy: 0.21508381358696485
Energy: 0.9278143696004195
Energy: 0.9278344814443352
Energy: 0.21444227310567535
Energy: 0.9274137497941962
Energy: 0.21441213107812132
Energy: 0.21445158354889454
Energy: 0.9278344822422027
Energy: 0.9279255014994287
Energy: 0.0129518689562874
Energy: 0.21441227881081146
Energy: 0.9278054142793023
Energy: 0.21440237226247816
Energy: 0.21444227311941533
Energy: 0.012951868952852408
Energy: 0.012868737948105818
Energy: 0.2148917875910941
Energy: 0.21446828421970573
Energy: 0.21549703441288948
Energy: 0.9274135466313875
Energy: 0.2144122788117889
Energy: 0.21489178759011668
Energy: 0.9273165441225042
Energy: 0.21447059842114946
Energy: 0.012909904133891283
Energy: 0.21441213107761864
Energy: 0.9278054142797771
Energy: 0.21446746699747452
Energy: 0.21447059843885505
Energy: 0.012886293255045006

minimum gb energy = 0.012742794233755106 eV
minimum distance =  2.47172497518812 Angstroms
sigma value = 1


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

Energy: 1.8118346116383857
Energy: 1.2371594596499647
Energy: 1.3199010217992713
Energy: 1.2262416399251792
Energy: 1.269407544361232
Energy: 1.2597596639085025
Energy: 1.1986250139835732
Energy: 1.3205513115899823
Energy: 1.2140273258727468
Energy: 1.200715560296508
Energy: 1.2331117153147835
Energy: 1.3207485743429197
Energy: 1.1342501205462534
Energy: 1.230518545792798
Energy: 1.3323246939046047
Energy: 1.2617999944314504
Energy: 1.2368732793852488
Energy: 1.221577391661187
Energy: 1.1920745238956212
Energy: 1.2153134684213271
Energy: 1.2853554779958112
Energy: 1.3851445268801572
Energy: 1.2247306519005148
Energy: 1.2056592261620023
Energy: 1.242366078888322
Energy: 1.2171818166481574
Energy: 1.3092418830580086
Energy: 1.2007618565927427
Energy: 1.292323279561453
Energy: 1.2776543105143514
Energy: 1.271152793463154
Energy: 1.2867106523082301
Energy: 1.2862355263871459
Energy: 1.1991606217517568
Energy: 1.2846093231700333
Energy: 1.287239082518302
Energy: 1.2626393123713908
Energy: 1.2849850149108017
Energy: 1.2845855782497988
Energy: 1.3254671409401018
Energy: 1.2846267718324553
Energy: 1.2857242219254723
Energy: 1.1548953782231266
Energy: 1.1555805301525628
Energy: 1.2003095910986357
Energy: 1.130250015603615
Energy: 1.3590740629978864
Energy: 1.1561353596564579
Energy: 1.1155569663467035
Energy: 1.285312267503101
Energy: 1.287194529361974
Energy: 1.2007786868158905
Energy: 1.2878958901579347
Energy: 1.2851654002382955
Energy: 1.1205956352905608
Energy: 1.2839666588352514
Energy: 1.2855301725891077
Energy: 1.1998847090128009
Energy: 1.2845570958592403
Energy: 1.298383219537784
Energy: 1.1550132868928202
Energy: 1.1562360184923972
Energy: 1.2073716535998802
Energy: 1.131635537976104
Energy: 1.2042294631311687
Energy: 1.158168281382395
Energy: 1.1940264739785191
Energy: 1.2121424396692042
Energy: 1.2747794024692765
Energy: 1.1163272556771529
Energy: 1.2356170790140422
Energy: 1.1930672160382423
Energy: 1.2001578257846637
Energy: 1.2118961659768517
Energy: 1.2681998694589123
Energy: 1.353126507468989
Energy: 1.217022815595355
Energy: 1.268531974376172
Energy: 1.1981309837581076
Energy: 1.2021837218860951
Energy: 1.2050125694638114
Energy: 1.132245545512167
Energy: 1.2141592047248697
Energy: 1.2020835558681227
Energy: 1.1284980095856714
Energy: 1.207154095599293
Energy: 1.2097685154135052
Energy: 1.200103296882403
Energy: 1.2098804763004547
Energy: 1.2859395588153604
Energy: 1.1301203315807469
Energy: 1.1984394237076197
Energy: 1.2062881120469924
Energy: 1.194226790690322
Energy: 1.2330013605821255
Energy: 1.3041023283025304
Energy: 1.199039213177357
Energy: 1.2222957258777492
Energy: 1.2501933730534744
Energy: 1.246015619622842
Energy: 1.2884216359642884
Energy: 1.2130280162214018
Energy: 1.1981935548266593
Energy: 1.287544126598879
Energy: 1.2846595113655985
Energy: 1.2846539773916525
Energy: 1.2888487476160306
Energy: 1.370316973201752
Energy: 1.2000677666831203
Energy: 1.288823164828224
Energy: 1.374614555126364
Energy: 1.2555399056953382
Energy: 1.2882678271931103
Energy: 1.3192885785428643
Energy: 1.224510488388062
Energy: 1.2850644597957588
Energy: 1.2414267166744937
Energy: 1.244312651155542
Energy: 1.286375553513099
Energy: 1.3811930046442464
Energy: 1.1981121089420432
Energy: 1.284766222377998
Energy: 1.3007548662911848
Energy: 1.3000810844302497
Energy: 1.2883563887321745
Energy: 1.2852517073918728
Energy: 1.1306722127971047
Energy: 1.2853657221714838
Energy: 1.2847760675594873
Energy: 1.118592907697036
Energy: 1.2881172014043403
Energy: 1.2093405684495628
Energy: 1.1206573659078636
Energy: 1.323029082043628
Energy: 1.1946669668835064
Energy: 1.1930458944109343
Energy: 1.2264079871652294
Energy: 1.3084058763963042

minimum gb energy = 1.1155569663467035 eV
minimum distance =  2.19552903983322 Angstroms
sigma value = 33


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

Energy: 2.322264469144751
Energy: 1.2833555036228779
Energy: 1.2052817324817753
Energy: 1.247387229176521
Energy: 1.2781386747270473
Energy: 1.3471422988159572
Energy: 1.3684329934553927
Energy: 1.490509355909812
Energy: 1.255297186470581
Energy: 1.2283206555835875
Energy: 1.225396310743337
Energy: 1.3197283864948608
Energy: 1.3658889191390515
Energy: 1.3039380900271678
Energy: 1.2993934849887243
Energy: 1.245741229490859
Energy: 1.2990934628032198
Energy: 1.3741564933342432
Energy: 1.3015041977111899
Energy: 1.2937410527184556
Energy: 1.295762581874942
Energy: 1.4472662465938135
Energy: 1.2960642938594873
Energy: 1.3043703973904723
Energy: 1.351867962585047
Energy: 1.2929468824466972
Energy: 1.3379213535726986
Energy: 1.4179860313363544
Energy: 1.5037865531894783
Energy: 1.3426056994982216
Energy: 1.2265266019142906
Energy: 1.3633800314529718
Energy: 1.3605616918882482
Energy: 1.2277694597294075
Energy: 1.3615148494795637
Energy: 1.3652490564100856
Energy: 1.2263282530778348
Energy: 1.3632326427260373
Energy: 1.3607339683313942
Energy: 1.4868889372769745
Energy: 1.361832342051865
Energy: 1.3630865917609654
Energy: 1.2278444912820954
Energy: 1.2246667212987514
Energy: 1.260314664038521
Energy: 1.228659299659238
Energy: 1.3596516198747428
Energy: 1.2240879082956246
Energy: 1.3246450966207686
Energy: 1.2976863079940784
Energy: 1.3118245133610023
Energy: 1.3026629370302787
Energy: 1.2964336266165961
Energy: 1.439690678976025
Energy: 1.1675048932103156
Energy: 1.2987158499261338
Energy: 1.3337338606856326
Energy: 1.3598183295492092
Energy: 1.2954355551962053
Energy: 1.3340737969397127
Energy: 1.3187966239512827
Energy: 1.342526986710727
Energy: 1.310686996323354
Energy: 1.3177616385547928
Energy: 1.3042116045522818
Energy: 1.239105462650209
Energy: 1.2277406984207213
Energy: 1.2196227841655085
Energy: 1.2259050726922955
Energy: 1.197805990445575
Energy: 1.2406628012630259
Energy: 1.221754183897456
Energy: 1.2018142179763214
Energy: 1.2208041753991936
Energy: 1.241043062654444
Energy: 1.1981558629375746
Energy: 1.2219803637595077
Energy: 1.2224922145813857
Energy: 1.2880941001950041
Energy: 1.2872973373087584
Energy: 1.3072437422416023
Energy: 1.3666552184182383
Energy: 1.31761776705395
Energy: 1.2007649980410338
Energy: 1.2263330501748908
Energy: 1.3455693035018914
Energy: 1.3841681925487432
Energy: 1.3289290331611974
Energy: 1.3475719878950034
Energy: 1.344581973816989
Energy: 1.2479305121191557
Energy: 1.3467873609811456
Energy: 1.3568446361850959
Energy: 1.4387588211751055
Energy: 1.344783988663314
Energy: 1.4176680072930026
Energy: 1.2836869118772245
Energy: 1.1989813099011364
Energy: 1.4851160144733861
Energy: 1.3662953148163368
Energy: 1.3843770867701823
Energy: 1.2880460317699802
Energy: 1.165385806596688
Energy: 1.3474310144710269
Energy: 1.3450973078115775
Energy: 1.4376312284111623
Energy: 1.3479025529397726
Energy: 1.3599709879024215
Energy: 1.1653279085512331
Energy: 1.3450241125907454
Energy: 1.3457921851802765
Energy: 1.3630872075667828
Energy: 1.3456481384158736
Energy: 1.3471896971605033
Energy: 1.2021253067584479
Energy: 1.2034579377270211
Energy: 1.3236460855151884
Energy: 1.367830043887979
Energy: 1.5010102993618117
Energy: 1.2030692605881486
Energy: 1.2034669283783572
Energy: 1.2246640615234121
Energy: 1.2639763465064928
Energy: 1.426243393398314
Energy: 1.2504614304661794
Energy: 1.2022099530594221
Energy: 1.229154161770298
Energy: 1.2468709495418215
Energy: 1.3592740617472743
Energy: 1.266906288424833
Energy: 1.2248863213097274
Energy: 1.2535094725724498
Energy: 1.4172565250295386
Energy: 1.50206785760505
Energy: 1.3121401663248007
Energy: 1.3202454977066613
Energy: 1.300166622907584
Energy: 1.350268136562597
Energy: 1.1978755133028056
Energy: 1.2979396536386651
Energy: 1.3773936302091925
Energy: 1.3042906150559312
Energy: 1.299206751332632
Energy: 1.3498070176984744
Energy: 1.41759158737096
Energy: 1.5009898134042605
Energy: 1.2993410649096697
Energy: 1.340216647477275
Energy: 1.3032530279152161
Energy: 1.3466940202934017
Energy: 1.2268565209124696
Energy: 1.3622966846656257
Energy: 1.3628446941523777
Energy: 1.2271677654135547
Energy: 1.3624661374877702
Energy: 1.2621947819379244
Energy: 1.284305192245429
Energy: 1.360051401482453
Energy: 1.361231763811025
Energy: 1.435246330207803
Energy: 1.3642582212767276
Energy: 1.3620217525161813
Energy: 1.22671230133841
Energy: 1.3686196258621188
Energy: 1.2279217760201044
Energy: 1.2267117592688892
Energy: 1.3620541841117282
Energy: 1.3975801907281347
Energy: 1.3045356240229762
Energy: 1.3234457995681195
Energy: 1.4225120308114338
Energy: 1.357281735307773
Energy: 1.301053302040306
Energy: 1.3916152060978846
Energy: 1.327968407506462
Energy: 1.3376591379125076
Energy: 1.3325187758958434
Energy: 1.401823640313345
Energy: 1.2995567389209906
Energy: 1.3897952423819242
Energy: 1.319118593698472
Energy: 1.2997873082583888
Energy: 1.3510735045703262
Energy: 1.3222097441467702
Energy: 1.2984198714529118
Energy: 1.3436655351342963
Energy: 1.3922229509819375
Energy: 1.240566397906969
Energy: 1.251672396220904
Energy: 1.2488631469153988
Energy: 1.2242313518401984
Energy: 1.5516237175561916
Energy: 1.294219478469936
Energy: 1.2325689393446073
Energy: 1.2332592347000944
Energy: 1.2015859094845625
Energy: 1.2205050966909654
Energy: 1.2977018202195758
Energy: 1.3686030121067092
Energy: 1.3053741410239976
Energy: 1.2687921200669632
Energy: 1.2014219104268085
Energy: 1.2240276381256292
Energy: 1.3213491998440738
Energy: 1.328905226991911
Energy: 1.3851229228993018
Energy: 1.3438904104794824
Energy: 1.2256220017394501
Energy: 1.3469096037660437
Energy: 1.4247779915634153
Energy: 1.3265436003717541
Energy: 1.346180187525984
Energy: 1.3448136966977369
Energy: 1.245925726923124
Energy: 1.3441359705605371
Energy: 1.3563223697643525
Energy: 1.319493133367245
Energy: 1.3355804171713468
Energy: 1.1990629985359258
Energy: 1.3812496107134895
Energy: 1.199649236100786
Energy: 1.3424773415996638
Energy: 1.329147540975159
Energy: 1.345878077955991
Energy: 1.346504384330941
Energy: 1.166985580605482
Energy: 1.345081549210595
Energy: 1.4149346776699705
Energy: 1.3304669971301422
Energy: 1.3441922188131261
Energy: 1.3445147852466839
Energy: 1.2987139997705603
Energy: 1.3475353402088954
Energy: 1.4468885657545607
Energy: 1.3679155494861945
Energy: 1.3023508321181714
Energy: 1.2031217699655565
Energy: 1.2043440450894465
Energy: 1.2025862902577553
Energy: 1.3133510361473206
Energy: 1.1639017155215339
Energy: 1.248694142262794
Energy: 1.2422425578270964
Energy: 1.2026982750188082
Energy: 1.2476660569190412
Energy: 1.335267791784094

minimum gb energy = 1.1639017155215339 eV
minimum distance =  2.19995592131857 Angstroms
sigma value = 51


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

Energy: 2.165129047465603
Energy: 1.2750729010802206
Energy: 1.4220572849555277
Energy: 1.3184165134019634
Energy: 1.3453392032067923
Energy: 1.359206678447228
Energy: 1.3369493108839117
Energy: 1.38128375386247
Energy: 1.2907359698639345
Energy: 1.363721743532027
Energy: 1.2801568130808019
Energy: 1.2800157138454722
Energy: 1.3191622790137016
Energy: 1.2799455892304397
Energy: 1.2740554593811582
Energy: 1.3087798402745654
Energy: 1.29578531537467
Energy: 1.2819172735196294
Energy: 1.3277778450132538
Energy: 1.2736206062230346
Energy: 1.2725269140706887
Energy: 1.3074525960432979
Energy: 1.2754873329124898
Energy: 1.279496752588864
Energy: 1.3325985432993412
Energy: 1.2828103354296356
Energy: 1.305241567958174
Energy: 1.3102455897777279
Energy: 1.4183608770663279
Energy: 1.2852107028125699
Energy: 1.3355805279778588
Energy: 1.3704804034716018
Energy: 1.3646348213430988
Energy: 1.3589130766525623
Energy: 1.3704300781267973
Energy: 1.369954511421689
Energy: 1.3956574712771612
Energy: 1.3714291203190925
Energy: 1.3702262157381155
Energy: 1.4472874774509117
Energy: 1.3720748404979926
Energy: 1.370451379414846
Energy: 1.4349636072537264
Energy: 1.4330334914373288
Energy: 1.370233535378977
Energy: 1.3273606975379817
Energy: 1.37008844336087
Energy: 1.2818095486006016
Energy: 1.18511644300981
Energy: 1.2815365172198203
Energy: 1.2764383759672464
Energy: 1.3096196441546106
Energy: 1.3049038581279608
Energy: 1.3467827607560188
Energy: 1.1582698727093754
Energy: 1.2756732185519741
Energy: 1.37336171258185
Energy: 1.354285547062144
Energy: 1.2801378593049466
Energy: 1.3470830189082468
Energy: 1.3367767918701592
Energy: 1.3067474513441526
Energy: 1.3035375621390293
Energy: 1.3337987764507226
Energy: 1.3039911431939428
Energy: 1.291823151916315
Energy: 1.3490282491050982
Energy: 1.2775166012692778
Energy: 1.2830375912830378
Energy: 1.371099614811259
Energy: 1.2801109875077206
Energy: 1.2785411754443166
Energy: 1.3407901661777961
Energy: 1.279421516609198
Energy: 1.2863789783374309
Energy: 1.3713206861206961
Energy: 1.2845972511102701
Energy: 1.2789477013678008
Energy: 1.3097520003343837
Energy: 1.290773649582418
Energy: 1.3088623470065788
Energy: 1.4355654796501713
Energy: 1.305046274431878
Energy: 1.3880604382283492
Energy: 1.3822280349294922
Energy: 1.371105543938845
Energy: 1.3722461523373743
Energy: 1.5041962106102749
Energy: 1.3704766843134957
Energy: 1.3707903183921988
Energy: 1.3294322915738206
Energy: 1.370354387741446
Energy: 1.3697215375234197
Energy: 1.4477396817592085
Energy: 1.3732012349832812
Energy: 1.3708734321137033
Energy: 1.318551782088819
Energy: 1.3066082756823745
Energy: 1.3781324136820736
Energy: 1.309424997046145
Energy: 1.3081163030632412
Energy: 1.3105075003405184
Energy: 1.1578719429226056
Energy: 1.2728743827451365
Energy: 1.2780480863685864
Energy: 1.309592921138006
Energy: 1.272818226332212
Energy: 1.3466781539527182

minimum gb energy = 1.1578719429226056 eV
minimum distance =  2.20225124535532 Angstroms
sigma value = 19


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

Energy: 2.002573259862495
Energy: 1.3037423058957494
Energy: 1.429704724649636
Energy: 1.3006120124768312
Energy: 1.3876963963662632
Energy: 1.3861372817469066
Energy: 1.3655757427555761
Energy: 1.5436597664992004
Energy: 1.3018875199082125
Energy: 1.340890613615663
Energy: 1.3618076031441775
Energy: 1.4775812532009094
Energy: 1.4419046872166255
Energy: 1.4132020147553104
Energy: 1.4649057340984968
Energy: 1.4143875230451435
Energy: 1.413163247546789
Energy: 1.4915164162473609
Energy: 1.4729427061995932
Energy: 1.4168832314660835
Energy: 1.4142945758810415
Energy: 1.4500822719410997
Energy: 1.413566764475094
Energy: 1.5003529943066791
Energy: 1.4911880603947563
Energy: 1.429327129562975
Energy: 1.4819814445463786
Energy: 1.3378964470267407
Energy: 1.519195719400218
Energy: 1.5307515544165222
Energy: 1.4803324758904586
Energy: 1.4491253364547543
Energy: 1.489554105621064
Energy: 1.279292258228008
Energy: 1.464802253018745
Energy: 1.4811822827959849
Energy: 1.5190726763375508
Energy: 1.4393269813317229
Energy: 1.4705688314890788
Energy: 1.4574043042822724
Energy: 1.4162970042962817
Energy: 1.5248064868215492
Energy: 1.364922874595008
Energy: 1.4150371385972207
Energy: 1.478164912097028
Energy: 1.3377667475977217
Energy: 1.464707440411532
Energy: 1.450659636563815
Energy: 1.333822003354456
Energy: 1.3623893945463592
Energy: 1.297914455091972
Energy: 1.337307303288129
Energy: 1.306853912495486
Energy: 1.476953434622829
Energy: 1.339176527458127
Energy: 1.3093180008401284
Energy: 1.2969574122455478
Energy: 1.3004476947499035
Energy: 1.2969261708884725
Energy: 1.4179186039449116
Energy: 1.3658094421009468
Energy: 1.469737693399726
Energy: 1.361662836948662
Energy: 1.3420331887344052
Energy: 1.3618440534809373
Energy: 1.4417657407573534
Energy: 1.4430028265551729
Energy: 1.5030944511359747
Energy: 1.4649165034911458
Energy: 1.4841865111911905
Energy: 1.459450219449371
Energy: 1.4754313241356358
Energy: 1.5604612124354649
Energy: 1.4667040670700398
Energy: 1.4930778895139851
Energy: 1.480829129653521
Energy: 1.4732563295875463
Energy: 1.527897771089673
Energy: 1.3643954774397224
Energy: 1.4703643951876268
Energy: 1.4697732557443195
Energy: 1.3655070848148807
Energy: 1.4695581213885023
Energy: 1.4835064112212772
Energy: 1.2988573564382513
Energy: 1.3192993725255493
Energy: 1.4339403090833631
Energy: 1.4447217631978497
Energy: 1.3660994199857102
Energy: 1.3500736093237304
Energy: 1.340327016676475
Energy: 1.2983255334364276
Energy: 1.3602231683771553
Energy: 1.3289144284012637
Energy: 1.2956036314667183
Energy: 1.3440957932591708
Energy: 1.2788946007674626
Energy: 1.3630398382238822
Energy: 1.4690151978075927
Energy: 1.365492787592004
Energy: 1.469348553897659
Energy: 1.2999855094637645
Energy: 1.4846727947609015
Energy: 1.418911031207583
Energy: 1.4910943547975601
Energy: 1.5073976208624422
Energy: 1.4160682902883686
Energy: 1.4134561917380501
Energy: 1.4490804900541114
Energy: 1.4135281333627654
Energy: 1.4127866330955114
Energy: 1.4696431044839273
Energy: 1.4151586019296805
Energy: 1.4651006588831923
Energy: 1.3371312885970752
Energy: 1.471083081234122
Energy: 1.4329552062303015
Energy: 1.4718018471738477
Energy: 1.4706274541683537
Energy: 1.3774297894102616
Energy: 1.3309154106942216
Energy: 1.4135971156937257
Energy: 1.4493692088294896
Energy: 1.4699962693117523
Energy: 1.4130769871381574
Energy: 1.4892955028834967
Energy: 1.2145274346428991
Energy: 1.413493813740513
Energy: 1.4385614226652863
Energy: 1.5293681580629555
Energy: 1.4427415133757837
Energy: 1.4572545614714796
Energy: 1.3441684806360457
Energy: 1.3622816406576328
Energy: 1.5089589713993161
Energy: 1.3644408377469086
Energy: 1.4653010342400514
Energy: 1.3674409758738448
Energy: 1.3406550083175004
Energy: 1.2971188744702344
Energy: 1.4170094936201598
Energy: 1.3323085353065927
Energy: 1.3045550685916707
Energy: 1.340411317199501
Energy: 1.2993424938935474
Energy: 1.2957480815204616
Energy: 1.3012491866741573
Energy: 1.3322233571767108
Energy: 1.3015415166294686
Energy: 1.2999717270808961
Energy: 1.300158556576626
Energy: 1.4894248446834613
Energy: 1.5048914286124102
Energy: 1.3639326184650509
Energy: 1.4653799541214854
Energy: 1.3685549369949785
Energy: 1.4774041173997114
Energy: 1.4610218983894927
Energy: 1.4888435628747376
Energy: 1.48079245765246
Energy: 1.4886252212297997
Energy: 1.4649872081922264
Energy: 1.4412490189597178
Energy: 1.459123798858917
Energy: 1.4703659508757934
Energy: 1.5617101633420472
Energy: 1.4530216400566218
Energy: 1.4910325392603614
Energy: 1.3641990433962385
Energy: 1.4691202736858424
Energy: 1.4048086083389577
Energy: 1.3020221724730503
Energy: 1.4810981666763179
Energy: 1.4127484293953323
Energy: 1.211772305360151
Energy: 1.3091997383579361
Energy: 1.3082233741500304
Energy: 1.2994531093290727
Energy: 1.2980170310642245
Energy: 1.3589085239103886

minimum gb energy = 1.211772305360151 eV
minimum distance =  2.18540794018303 Angstroms
sigma value = 27


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

Energy: 1.6379278042297758
Energy: 1.309642943004135
Energy: 1.4930970939201278
Energy: 1.2249556315822152
Energy: 1.4323230548605101
Energy: 1.5458562238717735
Energy: 1.1887017899925376
Energy: 1.4512567069078197
Energy: 1.3642197833383123
Energy: 1.1889454490964189
Energy: 1.3114894739962055
Energy: 1.4612402739028323
Energy: 1.190371135051036
Energy: 1.3336282751467865
Energy: 1.3567140189154498
Energy: 1.1844935376225736
Energy: 1.3158945379783933
Energy: 1.364367468974462
Energy: 1.3199005996248265
Energy: 1.3124481723580752
Energy: 1.3162542064060438
Energy: 1.3707381377591337
Energy: 1.315030364395088
Energy: 1.309352620889072
Energy: 1.1874840468865189
Energy: 1.3056529430587918
Energy: 1.482654212027801
Energy: 1.1871113420108952
Energy: 1.373715178659686
Energy: 1.3068243552527976
Energy: 1.2231927439601138
Energy: 1.313923846806444
Energy: 1.4507652286115296
Energy: 1.1892956921163962
Energy: 1.378731492190852
Energy: 1.3738386991680662
Energy: 1.2268906314797219
Energy: 1.3094245717794106
Energy: 1.357828892372818
Energy: 1.635714382944805
Energy: 1.3109785645361867
Energy: 1.4910535992882223
Energy: 1.1878837650673588
Energy: 1.3644823741547887
Energy: 1.4534794629522318
Energy: 1.1889115551713663
Energy: 1.3807271595395936
Energy: 1.3654181029224002
Energy: 1.1881368365464458
Energy: 1.3147056985917172
Energy: 1.3317739912754876
Energy: 1.1891822604499416
Energy: 1.3169195528199367
Energy: 1.379562356689817
Energy: 1.3360138005589146
Energy: 1.314551539577209
Energy: 1.3109847373925712
Energy: 1.3712311250991422
Energy: 1.3146343178062037
Energy: 1.3134112352635574
Energy: 1.1879272458616177
Energy: 1.37935250170949
Energy: 1.3048268025938696
Energy: 1.187660082286236
Energy: 1.4492416910826154
Energy: 1.5419474048638389
Energy: 1.1892027148628925
Energy: 1.3829850940849062
Energy: 1.3079828911772693
Energy: 1.219980154608281
Energy: 1.310137508782367
Energy: 1.451165969989933

minimum gb energy = 1.1844935376225736 eV
minimum distance =  2.2300029723641 Angstroms
sigma value = 9


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

Energy: 1.353127995131341
Energy: 1.2981779425770543
Energy: 1.2588959095164685
Energy: 1.3831506653163064
Energy: 1.2986731656662163
Energy: 1.4430246959864343
Energy: 1.3792665087270957
Energy: 1.5050581972305603
Energy: 1.2968948334978292
Energy: 1.2976469651692386
Energy: 1.2960546318239645
Energy: 1.3709825107691864
Energy: 1.420775352221128
Energy: 1.4862369747317687
Energy: 1.483537557783921
Energy: 1.3002912776553024
Energy: 1.4931830122266043
Energy: 1.5440481693542047
Energy: 1.2210482121148514
Energy: 1.4855643450728044
Energy: 1.4849864420893806
Energy: 1.3031406898807654
Energy: 1.4804928239417035
Energy: 1.484194932998959
Energy: 1.3431437287823786
Energy: 1.4840494476577435
Energy: 1.4842242095336666
Energy: 1.4180775038725875
Energy: 1.484267369998082
Energy: 1.5101315221092215
Energy: 1.341425399148443
Energy: 1.2964383037054648
Energy: 1.5333584526402493
Energy: 1.3696067087050754
Energy: 1.301145777347075
Energy: 1.2975884432862101
Energy: 1.2730513928911453
Energy: 1.2992896922106316
Energy: 1.3973170706688636
Energy: 1.4489078652933418
Energy: 1.2995236726769739
Energy: 1.2716485408258023
Energy: 1.2540034654384968
Energy: 1.2965429623213633
Energy: 1.5345979772457845
Energy: 1.3738419295278823
Energy: 1.301046835072783
Energy: 1.2587655772753306
Energy: 1.2734081929675092
Energy: 1.4634079302525207
Energy: 1.52063382915668
Energy: 1.371079897615
Energy: 1.4518897744279085
Energy: 1.4956452677034577
Energy: 1.2750224969048103
Energy: 1.4642905678880198
Energy: 1.4493724231212324
Energy: 1.3618924217776
Energy: 1.4527998153073036
Energy: 1.4721525220464902
Energy: 1.3742689528255774
Energy: 1.4857668642773265
Energy: 1.4495150526108669
Energy: 1.3680429254895003
Energy: 1.4501201863483895
Energy: 1.4764773218086389
Energy: 1.3749761694387517
Energy: 1.542605400961261
Energy: 1.3995427771377167
Energy: 1.3712112656163367
Energy: 1.3992054167499457
Energy: 1.3729219649021596
Energy: 1.3383551650823335
Energy: 1.3993421153428238
Energy: 1.3900259340893273
Energy: 1.3257927059182262
Energy: 1.4009733602635661
Energy: 1.4888697668618815
Energy: 1.3775615917548294
Energy: 1.3980179224343063
Energy: 1.3721025440895087
Energy: 1.3543332937674044
Energy: 1.3989636905592449
Energy: 1.464311679591735
Energy: 1.3787667586783408
Energy: 1.5732779043382443
Energy: 1.3842530030032274
Energy: 1.3263749454085905
Energy: 1.399661302082939
Energy: 1.4948602650272502
Energy: 1.4586351773223776
Energy: 1.3955617223368644
Energy: 1.4072659285024878
Energy: 1.3550357863574984
Energy: 1.398398568885799
Energy: 1.4258384510078572
Energy: 1.3762288761048855
Energy: 1.4012244281816146
Energy: 1.3982846966198266
Energy: 1.3690996641606803
Energy: 1.3977063943660875
Energy: 1.4243992359235371
Energy: 1.3737256730330554
Energy: 1.4538744898924114
Energy: 1.5188177684944233
Energy: 1.3710558791203278
Energy: 1.449308775395288
Energy: 1.299026925805106
Energy: 1.2719132896266154
Energy: 1.4730618808580302
Energy: 1.4927388175996275
Energy: 1.3955950161781217
Energy: 1.4603775147935454
Energy: 1.5023014119288722
Energy: 1.2771560561193969
Energy: 1.4580264143313904
Energy: 1.5202438879392925
Energy: 1.3703496671154396
Energy: 1.4491913626707151
Energy: 1.4862800639337606
Energy: 1.2715688160238423
Energy: 1.2583050126279374
Energy: 1.540109819494848
Energy: 1.3689470988536732
Energy: 1.5187286046323625
Energy: 1.2583237205957776
Energy: 1.2568783032466535
Energy: 1.296397737892898
Energy: 1.3655556902576433
Energy: 1.3687212705456746
Energy: 1.2968254679947748
Energy: 1.2579606297588017
Energy: 1.3418659641924202
Energy: 1.2955526888664357
Energy: 1.4499218340463103
Energy: 1.3667353359372365
Energy: 1.2948786230368703
Energy: 1.2946453550445505
Energy: 1.343431769148487
Energy: 1.488813046124337
Energy: 1.520392538042217
Energy: 1.3693016483955942
Energy: 1.500736306693748
Energy: 1.296766042480991
Energy: 1.3438729054931915
Energy: 1.5043240527587398
Energy: 1.487536034500943
Energy: 1.2962368569077993
Energy: 1.4845780806010491
Energy: 1.5364800407978376
Energy: 1.3438747604873214
Energy: 1.483937698498364
Energy: 1.4850633270172038
Energy: 1.2230352575279648
Energy: 1.4844191354428544
Energy: 1.4838908565341522
Energy: 1.421023770858935
Energy: 1.4755760288411504
Energy: 1.2956350505886263
Energy: 1.2963863002465883
Energy: 1.2960966102167237
Energy: 1.3721782090899513
Energy: 1.4144908198668105
Energy: 1.2961523481554906
Energy: 1.2958450668313963
Energy: 1.3346334893187797
Energy: 1.2984123500062703
Energy: 1.397275262410918
Energy: 1.3715260852180318
Energy: 1.2980135391684147
Energy: 1.2949206767383326
Energy: 1.2575209328324999
Energy: 1.2962815902364568
Energy: 1.3962407535507633
Energy: 1.4192613153427076
Energy: 1.5230701987208912
Energy: 1.3631432888259782
Energy: 1.2721087257763053
Energy: 1.4929277539341603
Energy: 1.612942381288354
Energy: 1.4630948561763804
Energy: 1.4497894610007103
Energy: 1.471536234343902
Energy: 1.272128416524221
Energy: 1.4495606943030632
Energy: 1.4507339635037635
Energy: 1.460685367067496
Energy: 1.458570839872291
Energy: 1.50816849680135
Energy: 1.2768411024274393
Energy: 1.4641635818863707
Energy: 1.4720816036423143
Energy: 1.4254720154261986
Energy: 1.3967535144369123
Energy: 1.4120098007952333
Energy: 1.3714419204089205
Energy: 1.4558056400845716
Energy: 1.369101179852808
Energy: 1.3758203064451797
Energy: 1.3987197981125288
Energy: 1.3966943277076656
Energy: 1.3650847903486507
Energy: 1.3995790952137643
Energy: 1.465474372329557
Energy: 1.3577898465528868
Energy: 1.397157896729324
Energy: 1.3959383429485641
Energy: 1.3673997913921465
Energy: 1.3960405611421878
Energy: 1.3762214106786756
Energy: 1.3226190135474432
Energy: 1.4706057672247927
Energy: 1.5729049030533413
Energy: 1.3711647040536372
Energy: 1.5640197641163667
Energy: 1.3969747903251142
Energy: 1.3591434313769446
Energy: 1.3959314552086621
Energy: 1.3974453199981074
Energy: 1.3704359028307085
Energy: 1.3983983571717395
Energy: 1.4062061268553732
Energy: 1.3371143663291865
Energy: 1.4226947356925643
Energy: 1.4245424534936992
Energy: 1.3600953005832859
Energy: 1.397537662635454
Energy: 1.4825194983518395
Energy: 1.4197617561238605
Energy: 1.3960938531658578
Energy: 1.4400470708673954
Energy: 1.3729167673048255
Energy: 1.4497008688388977
Energy: 1.3715115814248657
Energy: 1.3401451737408103
Energy: 1.4556834603944324
Energy: 1.5131091062915736
Energy: 1.2995370672182998
Energy: 1.4650937341723234
Energy: 1.4496226991634904
Energy: 1.4200056658326063
Energy: 1.4506013896653553
Energy: 1.4865892136180316
Energy: 1.3604796818669607
Energy: 1.44856955167107
Energy: 1.449382816865394
Energy: 1.4181575506390893
Energy: 1.5218766326879074
Energy: 1.4939000412215764
Energy: 1.272489816064189
Energy: 1.4842907493394504
Energy: 1.5450388933942854
Energy: 1.3786692777798306
Energy: 1.2952202884965924
Energy: 1.2950372374007686
Energy: 1.2564122524310617
Energy: 1.2954539676350845
Energy: 1.5912558582338157

minimum gb energy = 1.2210482121148514 eV
minimum distance =  2.21009510100815 Angstroms
sigma value = 57


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

Energy: 2.363089441101807
Energy: 1.2850756625768238
Energy: 1.1543270043230682
Energy: 1.1544842032689084
Energy: 1.423309752184484
Energy: 1.416301355677429
Energy: 1.431607003017416
Energy: 1.4312560918156154
Energy: 1.2759332660557998
Energy: 1.122572091490385
Energy: 1.2769769721648574
Energy: 1.3984571971159137
Energy: 1.1254920881134565
Energy: 1.3207476906610696
Energy: 1.4100134261568618
Energy: 1.1237618588953247
Energy: 1.4096996181157366
Energy: 1.277036052243462
Energy: 1.1287732667219221
Energy: 1.4093113404145736
Energy: 1.4098422683774952
Energy: 1.328792075836372
Energy: 1.4097353469795082
Energy: 1.1178296243192587
Energy: 1.1190252398444454
Energy: 1.328821706864744
Energy: 1.4152105086271787
Energy: 1.122815369545729
Energy: 1.409091720919354
Energy: 1.3290413064038396
Energy: 1.1204587757155828
Energy: 1.2757224321600928
Energy: 1.4166248656821054
Energy: 1.1330821582836208
Energy: 1.2775849832304944
Energy: 1.2749647437535003
Energy: 1.1498679694455856
Energy: 1.3027634030721036
Energy: 1.2822888796069234
Energy: 1.2709057922203986
Energy: 1.3015590409619542
Energy: 1.1515707452652495
Energy: 1.155535257848079
Energy: 1.2754550283860118
Energy: 1.4319611793923475
Energy: 1.2771608533677983
Energy: 1.2763729763273304
Energy: 1.2740036118910965
Energy: 1.151155269044598
Energy: 1.1526198294962682
Energy: 1.4309343103513805
Energy: 1.1241557958846589
Energy: 1.4174826857582337
Energy: 1.1514575318551954
Energy: 1.1518443818317883
Energy: 1.279616142006248
Energy: 1.393134230338772
Energy: 1.3934440989915249
Energy: 1.277454450163018
Energy: 1.151931828000566
Energy: 1.1248012478940288
Energy: 1.1269546775236863
Energy: 1.4253887821160125
Energy: 1.118712852414678
Energy: 1.2749750244990732
Energy: 1.1267424640309427
Energy: 1.1336476519006038
Energy: 1.4300843087155277
Energy: 1.3207141957922846
Energy: 1.124933386669083
Energy: 1.4103836236831795
Energy: 1.2775372190603314
Energy: 1.1269622906819814
Energy: 1.4102959105835746
Energy: 1.3294683073655913
Energy: 1.2798970366582851
Energy: 1.4303995186591263
Energy: 1.4100251022397858
Energy: 1.1332140407206373
Energy: 1.43217881756145
Energy: 1.3298340142173184
Energy: 1.1233444421419985
Energy: 1.4096687922162932
Energy: 1.3275461102046564
Energy: 1.1272511106932852
Energy: 1.410765590688617
Energy: 1.2785649893884694
Energy: 1.130260519193872
Energy: 1.2807820201543905
Energy: 1.2855444430656742
Energy: 1.4006914777146655
Energy: 1.280090096426813
Energy: 1.2796989632424587
Energy: 1.1331588526168057
Energy: 1.279974808567026
Energy: 1.3225043630876325
Energy: 1.399442775155884
Energy: 1.275918289606903
Energy: 1.2754860658200322
Energy: 1.1526695702182752
Energy: 1.2756111312177691
Energy: 1.2786449649536549
Energy: 1.4083420876401336
Energy: 1.416592186035255
Energy: 1.1516193417589775
Energy: 1.14954616130753
Energy: 1.2865529908778643
Energy: 1.3970656347739066
Energy: 1.411038746298036
Energy: 1.2763263945053294
Energy: 1.2744134353354153
Energy: 1.1511107016469713
Energy: 1.274908410739991
Energy: 1.41802715996579

minimum gb energy = 1.1178296243192587 eV
minimum distance =  2.18398236104019 Angstroms
sigma value = 11


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

Energy: 1.8060557835725648
Energy: 1.1825274805981114
Energy: 1.074507757989408
Energy: 1.1828124319767146
Energy: 1.184222352304324
Energy: 1.297126721068697
Energy: 1.7240478136326718
Energy: 1.323016895615376
Energy: 1.23662337628385
Energy: 1.2343268635247133
Energy: 1.184078341587788
Energy: 1.3532268390016289
Energy: 1.4583897769271756
Energy: 1.3202240343014475
Energy: 1.3239274088279949
Energy: 1.2383178599184501
Energy: 1.3204317404642263
Energy: 1.3503822652908017
Energy: 1.5299842038310365
Energy: 1.3206970726367342
Energy: 1.323195681044452
Energy: 1.237940019574122
Energy: 1.3200170894304626
Energy: 1.344813957859099
Energy: 1.5205712137167513
Energy: 1.3207070029141432
Energy: 1.321143490958478
Energy: 1.346263602475821
Energy: 1.3197027593355952
Energy: 1.3467424201229838
Energy: 1.4611844017827598
Energy: 1.3239408955250032
Energy: 1.321856429001367
Energy: 1.3470033404977912
Energy: 1.3213571456478166
Energy: 1.3854576736774074
Energy: 1.2589749047677639
Energy: 1.2348056256613067
Energy: 1.3223316089812678
Energy: 1.2333075671502085
Energy: 1.3219445782209178
Energy: 1.23312696767243
Energy: 1.0636674989730908
Energy: 1.3219001118789513
Energy: 1.321195915029498
Energy: 1.3214477994248603
Energy: 1.325888273558828
Energy: 1.2370611510914422
Energy: 1.2732930655600272
Energy: 1.1829203257350096
Energy: 1.3509345547957514
Energy: 1.392843528486595
Energy: 1.32173377673638
Energy: 1.1888066234367216
Energy: 1.2550086805881249
Energy: 1.182849625644435
Energy: 1.1808128303780445
Energy: 1.3222557365396799
Energy: 1.1830134730472515
Energy: 1.1843067864845689
Energy: 1.0742263496111297
Energy: 1.1789576614591433
Energy: 1.1791932622707293
Energy: 1.3229509317126382
Energy: 1.1796040143770055
Energy: 1.1792444345051492
Energy: 1.068880965472881
Energy: 1.181719169909068
Energy: 1.3509935111816018
Energy: 1.351165532014019
Energy: 1.2921097357832125
Energy: 1.0751160861443767
Energy: 1.0762628840656334
Energy: 1.1772730514377723
Energy: 1.325726100454909
Energy: 1.3864960038101533
Energy: 1.1822890387422358
Energy: 1.0735886025300359
Energy: 1.066049024946013
Energy: 1.235408575805214
Energy: 1.283917008714698
Energy: 1.4795977896170847
Energy: 1.1843362619197366
Energy: 1.2348224761884765
Energy: 1.258302118808239
Energy: 1.1807876567327655
Energy: 1.350187094313689
Energy: 1.3248444675391997
Energy: 1.3219318843894419
Energy: 1.2396929228023812
Energy: 1.262137802430541
Energy: 1.3203427610327099
Energy: 1.324692576612008
Energy: 1.3862968555475188
Energy: 1.3217965256973525
Energy: 1.3212405715129014
Energy: 1.2746875946857512
Energy: 1.3242631101946498
Energy: 1.3452936534371462
Energy: 1.3447524705503657
Energy: 1.3203880652429423
Energy: 1.234310053271551
Energy: 1.4509117667647373
Energy: 1.3215313861250395
Energy: 1.3704970087074713
Energy: 1.427132777264585
Energy: 1.3207155533997237
Energy: 1.3220572162403552
Energy: 1.7323267374213553
Energy: 1.3207860058849146
Energy: 1.3848923715422508
Energy: 1.3467529583080666
Energy: 1.3211516195568154
Energy: 1.3673722069804572
Energy: 1.2627656057332868
Energy: 1.320810703930227
Energy: 1.2348389742716706
Energy: 1.1889417801718754
Energy: 1.3227329290731678
Energy: 1.3219371855906343
Energy: 1.7223107919439093
Energy: 1.3202772135443335
Energy: 1.2370923569579577
Energy: 1.0658484415149492
Energy: 1.319827573799946
Energy: 1.3174962744162537
Energy: 1.4691772927198472
Energy: 1.3226013322114403
Energy: 1.182768325795865
Energy: 1.2429131392442447
Energy: 1.182879582166859
Energy: 1.3505231985797042
Energy: 1.7586365564096798
Energy: 1.1818877227085767
Energy: 1.1819825504482788
Energy: 1.0671096280491106
Energy: 1.1825245546699075
Energy: 1.3200306802875847
Energy: 1.756799284664008
Energy: 1.178536243445903
Energy: 1.1794930553874607
Energy: 1.076691808810046
Energy: 1.1779122699602027
Energy: 1.3252809127964902
Energy: 1.447181838614414
Energy: 1.29401975636345
Energy: 1.0732864003236986
Energy: 1.0703895332120315
Energy: 1.188444464287366
Energy: 1.3496589230188205
Energy: 1.9947427677408618
Energy: 1.1789371563719215
Energy: 1.0715027504082726
Energy: 1.0741456501949265
Energy: 1.181352351554004
Energy: 1.2846175043346768

minimum gb energy = 1.0636674989730908 eV
minimum distance =  2.16806448808688 Angstroms
sigma value = 41


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

Energy: 1.8746924530213196
Energy: 1.085668754813226
Energy: 0.996810871813845
Energy: 0.9957264388939274
Energy: 1.0852473132987333
Energy: 1.2447468471765926
Energy: 1.7221608705152223
Energy: 1.2041193656899312
Energy: 1.1257966440044904
Energy: 1.1228650268035472
Energy: 1.089341447775859
Energy: 1.2350568286624786
Energy: 1.7172111610692762
Energy: 1.2487658798700751
Energy: 1.204319930567897
Energy: 1.1541743681761227
Energy: 1.2040634311594531
Energy: 1.282779739186698
Energy: 1.7455437493118702
Energy: 1.2035484157150975
Energy: 1.2045165069108228
Energy: 1.1533908046736372
Energy: 1.2034738009807837
Energy: 1.2311577294919178
Energy: 1.7288140713388063
Energy: 1.2030795886373793
Energy: 1.2040244437118026
Energy: 1.2475786022219901
Energy: 1.2032587547848694
Energy: 1.2296939170139691
Energy: 1.7135959839734474
Energy: 1.2388242463852785
Energy: 1.2594374618181816
Energy: 1.2766838215117875
Energy: 1.2388021816455066
Energy: 1.2393206267246895
Energy: 1.496743013267857
Energy: 1.2391947860599697
Energy: 1.2386775072950393
Energy: 1.2393352185512974
Energy: 1.2384137159522899
Energy: 1.2389131433842941
Energy: 1.2766999646116326
Energy: 1.2391901707117048
Energy: 1.238885844628213
Energy: 1.2044112147941555
Energy: 1.2516535776840434
Energy: 1.229341666555535
Energy: 1.4948638115645732
Energy: 1.259459400014566
Energy: 1.2398332462731432
Energy: 1.2392810195416595
Energy: 1.2390651087141966
Energy: 1.2039812188586694
Energy: 1.494525233793077
Energy: 1.2459509732979406
Energy: 1.2034612195906775
Energy: 1.2377689405859251
Energy: 1.2044563669288892
Energy: 1.247284285331156
Energy: 1.1404885159975862
Energy: 1.2041227840339643
Energy: 1.2039305845607589
Energy: 1.2742481386026479
Energy: 1.203622789078475
Energy: 1.1361007384899293
Energy: 1.1448133324211551
Energy: 1.1356226394285358
Energy: 1.2346274084914868
Energy: 1.2386079486060357
Energy: 1.2040295006482704
Energy: 1.1349496609117045
Energy: 1.1325601956559406
Energy: 1.0832961883847
Energy: 1.204317853321615
Energy: 1.2376219759764546
Energy: 1.088484061352846
Energy: 1.0828048256915679
Energy: 0.9932020560568412
Energy: 1.085510313044943
Energy: 1.2027916580142501
Energy: 1.2024186063452151
Energy: 1.0844032075726924
Energy: 0.9944338115610798
Energy: 0.9945121304969491
Energy: 1.0831360413852855
Energy: 1.2350208585351239
Energy: 1.2357615492060652
Energy: 1.190560198288096
Energy: 1.0827047239197103
Energy: 0.9975315190334987
Energy: 1.084420316788464
Energy: 1.2127408503126504
Energy: 1.2344149547765177
Energy: 1.190400993044087
Energy: 0.9951959790741167
Energy: 0.9933554065426136
Energy: 0.9956989440676473
Energy: 1.1662011036108577
Energy: 1.2307078931701163
Energy: 1.0845709711803098
Energy: 0.9952741535777225
Energy: 1.1316843891936739
Energy: 1.1186683483162176
Energy: 1.2123063966077385
Energy: 1.2297840424623108
Energy: 1.0873883294649678
Energy: 1.1179186997622887
Energy: 1.1408793991564956
Energy: 1.2042311308839067
Energy: 1.2345344643929381
Energy: 1.2383873855253666
Energy: 1.204329258277538
Energy: 1.1491292169949379
Energy: 1.1436866180917469
Energy: 1.2041664482251997
Energy: 1.2035614556577563
Energy: 1.2303778054440455
Energy: 1.2042639212475126
Energy: 1.2044500557587212
Energy: 1.491279583116645
Energy: 1.2057709789929607
Energy: 1.2303126183333932
Energy: 1.2301915001987886
Energy: 1.2034118381418164
Energy: 1.203831739060549
Energy: 1.5056030938594396
Energy: 1.20456593189693
Energy: 1.2407352347369731
Energy: 1.2341714004835898
Energy: 1.238887544814353
Energy: 1.2042478195159407
Energy: 1.503900174752565
Energy: 1.2384924593828153
Energy: 1.2511284872849062
Energy: 1.2041623235348802
Energy: 1.2509338069656712
Energy: 1.2383857924500616
Energy: 1.5043768269540483
Energy: 1.2388561513044103
Energy: 1.2384545302252186
Energy: 1.283531267469522
Energy: 1.2389806837498543
Energy: 1.2388481001594034
Energy: 1.7174343514559192
Energy: 1.2387989250101896
Energy: 1.239795001231727
Energy: 1.2463668685359723
Energy: 1.238852655841654
Energy: 1.2388496556028488
Energy: 1.4950138114616982
Energy: 1.2043992235270529
Energy: 1.2459962759584031
Energy: 1.2463615317774215
Energy: 1.2035690888403445
Energy: 1.20378201161181
Energy: 1.4853817456284004
Energy: 1.2045540866339643
Energy: 1.1361191809943318
Energy: 1.1493548216110425
Energy: 1.2038672055560997
Energy: 1.2037653129598742
Energy: 1.7196327577811907
Energy: 1.2129025367994593
Energy: 1.135842618812421
Energy: 1.1600234700052825
Energy: 1.2033531982074337
Energy: 1.2383714977742597
Energy: 1.7227527102127695
Energy: 1.2059863465479026
Energy: 1.0881157193332514
Energy: 1.1250842806544061
Energy: 1.0889772014098005
Energy: 1.2358446441786388
Energy: 1.6990515599310507
Energy: 1.0852413660242026
Energy: 1.0870553187015362
Energy: 0.9916538090984092
Energy: 1.0849896784567388
Energy: 1.2030844104458354
Energy: 1.7183193150810796
Energy: 1.0890181764772644
Energy: 1.0858206492042872
Energy: 0.995414544200361
Energy: 1.0881377368796747
Energy: 1.235214203343785
Energy: 1.7189669619019008
Energy: 1.1924372754584875
Energy: 0.9945192690114226
Energy: 0.9945405964815031
Energy: 1.1741729381141475
Energy: 1.234259075308095
Energy: 1.7147815988796402
Energy: 1.0840515495532053
Energy: 0.9951778756695971
Energy: 0.9949847931858574
Energy: 1.084153999437517
Energy: 1.1665893520925508

minimum gb energy = 0.9916538090984092 eV
minimum distance =  2.1671120542398 Angstroms
sigma value = 33


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

Energy: 1.9406073191588813
Energy: 0.9542091399426544
Energy: 0.8904701630120955
Energy: 1.0265983532188998
Energy: 0.89111027034818
Energy: 1.0764014108812432
Energy: 2.014445702766459
Energy: 1.0690842390094726
Energy: 0.9599258194486665
Energy: 0.9772444125401977
Energy: 0.9600746698315021
Energy: 1.0698646837834784
Energy: 2.031043826782565
Energy: 1.0681432072084482
Energy: 1.0583429987406
Energy: 0.9961544317453724
Energy: 1.0428853671214313
Energy: 1.0839040630490493
Energy: 1.7062576601207333
Energy: 1.0434561852208457
Energy: 0.985205147496431
Energy: 0.9923821434745876
Energy: 1.0429224143928217
Energy: 1.0669127900346955
Energy: 1.7068806623423987
Energy: 1.0414351281089251
Energy: 1.065866442832257
Energy: 1.06581789062516
Energy: 1.0434008757502844
Energy: 1.0675024602949132
Energy: 2.020909528028135
Energy: 1.0826282864418524
Energy: 1.0841939684324098
Energy: 1.066943241610238
Energy: 1.086668715550295
Energy: 1.0840948815888782
Energy: 1.8434875889637905
Energy: 1.1123015466261579
Energy: 1.0840032362195484
Energy: 1.0967090801074593
Energy: 1.0829284640504493
Energy: 1.1098254020966825
Energy: 1.3813666600068273
Energy: 1.0824314399947326
Energy: 1.0930370631205788
Energy: 1.0682090013616197
Energy: 1.0819467994639138
Energy: 1.0934774438280181
Energy: 1.8612191203369999
Energy: 1.0974533992018771
Energy: 1.0825525756828571
Energy: 1.0831300958479997
Energy: 1.113692841797001
Energy: 1.0979997133023724
Energy: 1.683842776053243
Energy: 1.096579040397708
Energy: 1.0952333820383295
Energy: 1.0967340439245676
Energy: 1.0961536631461084
Energy: 1.095035743183671
Energy: 1.4428080730242887
Energy: 1.097118903641743
Energy: 1.0976802865634596
Energy: 1.1110029302697668
Energy: 1.0969201762998042
Energy: 1.0952180828849234
Energy: 1.4305890911688681
Energy: 1.096530148904697
Energy: 1.0962862240734843
Energy: 1.0961788886455535
Energy: 1.0969325494440518
Energy: 1.0945094159191233
Energy: 1.530599547879162
Energy: 1.0838208405769516
Energy: 1.1123591990250483
Energy: 1.096685373689236
Energy: 1.082082409934394
Energy: 1.0832136532922996
Energy: 1.2837049207113453
Energy: 1.0849729615533201
Energy: 1.0832483648564692
Energy: 1.0959484197947873
Energy: 1.082928994548671
Energy: 1.101404954629023
Energy: 1.1152661527508414
Energy: 1.0834265073586513
Energy: 1.1165727864087294
Energy: 1.0980459603235255
Energy: 1.1099783426587748
Energy: 1.1020274348345207
Energy: 1.2452875568559556
Energy: 1.0896457117086558
Energy: 1.0844539497921308
Energy: 1.095589141200236
Energy: 1.083837609984022
Energy: 1.0674248663561776
Energy: 1.2244165848377135
Energy: 1.0650987819187676
Energy: 1.0828061150894877
Energy: 1.0816566338415428
Energy: 1.0431636412807546
Energy: 1.0671785363734918
Energy: 1.0001477022127494
Energy: 1.0429579300440102
Energy: 1.0453438327054476
Energy: 1.0971218734120227
Energy: 1.0429945454880811
Energy: 0.985614032752498
Energy: 1.0330142215427198
Energy: 0.9853952874626848
Energy: 1.0678182347093594
Energy: 1.08292219936044
Energy: 1.0437637010231042
Energy: 0.9944879697681192
Energy: 0.9830371007600704
Energy: 0.9727408114791315
Energy: 0.9692140751453012
Energy: 1.085180150793365
Energy: 0.95290936750518
Energy: 0.9727835423020232
Energy: 0.8865566973010165
Energy: 0.9524997865407857
Energy: 1.0433417056366374
Energy: 1.083292067183126
Energy: 0.954125304156024
Energy: 0.8905519216198137
Energy: 0.8914527139449374
Energy: 0.9546013883995572
Energy: 1.0688265123136484
Energy: 1.0678831254852459
Energy: 1.019067778172161
Energy: 0.8921205060738754
Energy: 0.8916759064066541
Energy: 0.9525957359897445
Energy: 1.0690995116774569
Energy: 1.0845267361355773
Energy: 1.0346913108592393
Energy: 0.8913527795454794
Energy: 0.8872585625854186
Energy: 0.8957666471171518
Energy: 1.0664036048033714
Energy: 1.065905742232061
Energy: 0.9525916660567436
Energy: 0.8896469161336523
Energy: 0.9849090822713353
Energy: 0.9548346194645351
Energy: 1.068538525328666
Energy: 1.0950031237325835
Energy: 0.9703573583985092
Energy: 0.9735914669729782
Energy: 0.9925039465435203
Energy: 1.041907115199981
Energy: 1.0686919729598183
Energy: 1.0830490103194996
Energy: 1.0436707605821052
Energy: 0.9963871293008496
Energy: 0.9972664322361469
Energy: 1.042605622797915
Energy: 1.041120391330324
Energy: 1.1119984035203787
Energy: 1.0427085684422703
Energy: 0.9869705225577485
Energy: 1.224469654368054
Energy: 1.042688639869872
Energy: 1.0676457694443444
Energy: 1.094242432613081
Energy: 1.0424939634493124
Energy: 1.0650690951874329
Energy: 1.279254853486004
Energy: 1.0821460833580263
Energy: 1.0842800228776204
Energy: 1.0944586242250012
Energy: 1.082813625820156
Energy: 1.1171155084024758
Energy: 1.3250223066179163
Energy: 1.0823321843554887
Energy: 1.1099637238891615
Energy: 1.0978382482551412
Energy: 1.1130380012168497
Energy: 1.0815988378108774
Energy: 1.2790943599566216
Energy: 1.0825476051605274
Energy: 1.0927488170045192
Energy: 1.0941054454058425
Energy: 1.0826963975475168
Energy: 1.0823902913854913
Energy: 1.5371737892500577
Energy: 1.081647874429157
Energy: 1.1173266720655808
Energy: 1.0981607567617682
Energy: 1.1123081822204823
Energy: 1.0818440631131863
Energy: 1.5339137651199353
Energy: 1.0959447633019244
Energy: 1.0956725900029995
Energy: 1.0969633226243778
Energy: 1.0960168421939132
Energy: 1.0959519296669773
Energy: 1.535052909701777
Energy: 1.0960760581117739
Energy: 1.0946258167302254
Energy: 1.0943982255021916
Energy: 1.0968282860941694
Energy: 1.0949472242148497
Energy: 1.8546623975169498
Energy: 1.096118613346967
Energy: 1.0951057267505757
Energy: 1.0964693072464136
Energy: 1.0964818357334143
Energy: 1.0950584825952048
Energy: 1.8662442437909756
Energy: 1.123183318754586
Energy: 1.0816391112178314
Energy: 1.0829896265758587
Energy: 1.08198299765122
Energy: 1.0992998572437653
Energy: 1.5813058568905876
Energy: 1.0835387664066989
Energy: 1.0820984388370132
Energy: 1.0506001098647455
Energy: 1.0835305644411966
Energy: 1.0946234856661052
Energy: 1.8430843133176242
Energy: 1.1131990360524795
Energy: 1.0975176882874673
Energy: 1.1063555058373915
Energy: 1.0912329034733501
Energy: 1.121334937768988
Energy: 2.018482118155097
Energy: 1.0825365300073004
Energy: 1.109503337541644
Energy: 1.0659185745231656
Energy: 1.0828150312757796
Energy: 1.0839694083744924
Energy: 1.862079712864707
Energy: 1.0419667606704481
Energy: 1.0664878171336076
Energy: 1.067639689132787
Energy: 1.042740962439387
Energy: 1.0827574979396901
Energy: 1.8648279753795332
Energy: 1.0430769654283385
Energy: 0.9853488453182137
Energy: 0.9962324771384827
Energy: 1.0424588559058148
Energy: 1.0419474495258447
Energy: 2.0250104661249932
Energy: 1.068362394583188
Energy: 0.9851209990671786
Energy: 0.9916975427214797
Energy: 1.0426359252584612
Energy: 1.0686310678114954
Energy: 2.1880523390496855
Energy: 0.9864201933624126
Energy: 0.9726785606764992
Energy: 0.9733259331121351
Energy: 0.9541282001204656
Energy: 1.0701189435468372
Energy: 1.841530448558102
Energy: 0.9531973034225557
Energy: 0.8893824366472012
Energy: 0.8886494829361862
Energy: 0.9532036779503589
Energy: 1.0841372279928099
Energy: 2.007223046610126
Energy: 1.071636268551439
Energy: 0.9532787653191039
Energy: 0.8888092283583247
Energy: 0.9558549135079981
Energy: 1.0692473442698578
Energy: 2.0206032238401987
Energy: 1.0691323028416433
Energy: 0.8903199055200883
Energy: 0.8884975666683408
Energy: 0.9532798076508914
Energy: 1.0682963456578505
Energy: 2.037653524968846
Energy: 0.9537297621888189
Energy: 0.8884805695933988
Energy: 0.8865888841693856
Energy: 0.9538211663693548
Energy: 1.0664479317162634

minimum gb energy = 0.8865566973010165 eV
minimum distance =  2.2311604550622 Angstroms
sigma value = 67


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

Energy: 0.33731427989256224
Energy: 0.4096972114480863
Energy: 0.4226272920078365
Energy: 0.422653844137126
Energy: 0.4213191485261762
Energy: 0.2942494982334207
Energy: 1.4872440506891085
Energy: 0.42134638577051664
Energy: 0.40588307802993795
Energy: 0.4060352016488604
Energy: 0.406628858390784
Energy: 0.42161001774677503
Energy: 1.4713541397466672
Energy: 0.40593649686798805
Energy: 0.40602444919633296
Energy: 0.40609125893262804
Energy: 0.4053518995966086
Energy: 0.40635436647765255
Energy: 0.27872737536637193
Energy: 0.40565542782964076
Energy: 0.4060996821950056
Energy: 0.4061621506508569
Energy: 0.4050398880214666
Energy: 0.2780490377862414
Energy: 0.2780203722421863
Energy: 0.4050869749825654
Energy: 0.4058197653433192
Energy: 0.40606824692413424
Energy: 0.4043553637433194
Energy: 0.2781605548518828
Energy: 1.471264406438921
Energy: 0.40556138949636067
Energy: 0.40617438498081165
Energy: 0.4067896923454928
Energy: 0.40526250458568963
Energy: 0.4061953229439432
Energy: 0.278022300072874
Energy: 0.4215490223104183
Energy: 0.40601511564686504
Energy: 0.4062629979880379
Energy: 0.40616250702459816
Energy: 0.421590856572748

minimum gb energy = 0.2780203722421863 eV
minimum distance =  2.40336232918303 Angstroms
sigma value = 3


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

Energy: 2.007936465111176
Energy: 0.9515763387418077
Energy: 0.8722255398058971
Energy: 1.0418609717416611
Energy: 0.9607289649639753
Energy: 1.068804500206472
Energy: 1.9746772359691
Energy: 1.0431207277385692
Energy: 0.8587447039075389
Energy: 0.8600009169065466
Energy: 0.8558019871655543
Energy: 1.049013205392346
Energy: 1.6485166818579247
Energy: 1.0286507909699376
Energy: 0.865008871385041
Energy: 0.8670178320792458
Energy: 0.8652794236136613
Energy: 1.0301468836836039
Energy: 2.123884270512689
Energy: 0.9555819254452463
Energy: 0.8569799138752728
Energy: 0.8602279142643073
Energy: 0.8584713675683041
Energy: 1.0479622857877675
Energy: 2.1183121330378345
Energy: 0.951939790528205
Energy: 0.9571539222713066
Energy: 0.9514629581483817
Energy: 0.9480647348396066
Energy: 1.046499848730126
Energy: 1.6491945112643251
Energy: 1.037881577785762
Energy: 0.9531842962049728
Energy: 0.9556626376272086
Energy: 0.9483423768682229
Energy: 1.0518823809155664
Energy: 1.9709792237888175
Energy: 1.0498773059259123
Energy: 0.9579572295471337
Energy: 0.9640258849913916
Energy: 0.9610902037031872
Energy: 1.0538127123135628
Energy: 1.837658479105863
Energy: 1.0483380792760748
Energy: 1.059520640660152
Energy: 1.0873648944985999
Energy: 1.0447844015933443
Energy: 1.0683839420031478
Energy: 1.9723138645721432
Energy: 1.0554421605210729
Energy: 1.0570146343754334
Energy: 1.045494545702309
Energy: 1.0519390548612493
Energy: 1.051794111225696
Energy: 1.6479767135537973
Energy: 1.071432108299809
Energy: 1.0442304286200053
Energy: 1.0566536348613993
Energy: 1.045974717938113
Energy: 1.0822557600996028
Energy: 1.8238593297160175
Energy: 1.0686517786605674
Energy: 1.083563182634992
Energy: 1.2009052637838737
Energy: 1.082227975963202
Energy: 1.072803867373531
Energy: 1.807335291889507
Energy: 1.079671212319758
Energy: 1.0753840858060333
Energy: 1.1132641521678128
Energy: 1.0760750487967596
Energy: 1.0792323110065296
Energy: 1.7937703913822924
Energy: 1.0833702088399704
Energy: 1.0719303946593561
Energy: 1.095867001992922
Energy: 1.0857049379195902
Energy: 1.0854776448396533
Energy: 1.7957716379788127
Energy: 1.0799859276326031
Energy: 1.0912884947913115
Energy: 1.1262165380817442
Energy: 1.0912767142506226
Energy: 1.0759060350886214
Energy: 1.5222995885804422
Energy: 1.0864047355102642
Energy: 1.0870279375682343
Energy: 1.119620417935151
Energy: 1.087766467920711
Energy: 1.076544291901081
Energy: 1.520061825205804
Energy: 1.1036772662268313
Energy: 1.0757964119816696
Energy: 1.0735587812388763
Energy: 1.0800447743350783
Energy: 1.0864862334570184
Energy: 1.5102278968783585
Energy: 1.091413293715969
Energy: 1.0757165961742219
Energy: 1.0846479747301656
Energy: 1.078104193778768
Energy: 1.1037857026271305
Energy: 1.5206833831674145
Energy: 1.0781902817167988
Energy: 1.0835980915301293
Energy: 1.0891370648436676
Energy: 1.0800179878946476
Energy: 1.0688019153185984
Energy: 1.5080330932388313
Energy: 1.0819883319528154
Energy: 1.0875040178186994
Energy: 1.0806714401393274
Energy: 1.073701267908137
Energy: 1.0848007749033246
Energy: 1.2435672609042865
Energy: 1.0807346105748983
Energy: 1.0677339374063237
Energy: 1.073627132203263
Energy: 1.0677763936309224
Energy: 1.080386376459456
Energy: 1.2161915356111046
Energy: 1.0467123821715032
Energy: 1.0779566432692125
Energy: 1.0973846345327694
Energy: 1.0722070070225416
Energy: 1.0433068448432343
Energy: 1.2317681320707736
Energy: 1.0522275702246782
Energy: 1.0663879857341718
Energy: 1.0866493925597152
Energy: 1.0529049441328944
Energy: 1.0486374385415487
Energy: 0.9749785075002178
Energy: 1.0529820905673473
Energy: 1.0621675603156533
Energy: 1.0727686828710792
Energy: 1.0455076435461432
Energy: 0.9660679940185724
Energy: 0.975722600529332
Energy: 0.9578905541398285
Energy: 1.052485430816846
Energy: 1.082780506509306
Energy: 1.0468367237255678
Energy: 0.9622127545603333
Energy: 0.9772914432069417
Energy: 0.9488319714456108
Energy: 1.0307371043258633
Energy: 1.0761595365583594
Energy: 0.9498246207387249
Energy: 0.9466231781196149
Energy: 0.970436448326999
Energy: 0.946796304146006
Energy: 1.031153051627944
Energy: 1.0584545543403523
Energy: 0.9490433220613854
Energy: 0.9494813873876802
Energy: 0.8574150670721621
Energy: 0.8550745605188707
Energy: 1.0258906376758317
Energy: 1.0617189720973303
Energy: 0.9481001628570342
Energy: 0.8574171533652782
Energy: 0.8669488235785197
Energy: 0.8664004381690035
Energy: 1.027912084950854
Energy: 1.1102393288776136
Energy: 0.8663334370843628
Energy: 0.863101361928805
Energy: 0.8588384346146399
Energy: 0.8580277037900278
Energy: 1.0469491615271787
Energy: 1.0694459476087985
Energy: 0.948887043848512
Energy: 0.857428236420363
Energy: 1.0037731872859097
Energy: 0.9822485452828423
Energy: 1.0442241816477824
Energy: 1.067895511907876
Energy: 0.9482931463354171
Energy: 0.9710592787061816
Energy: 0.9783380572966001
Energy: 0.9521525269917516
Energy: 1.0592119562297722
Energy: 1.0765982325096275
Energy: 0.9644420975048336
Energy: 0.9514690915630583
Energy: 0.9710554210358757
Energy: 0.9497690835270319
Energy: 1.0667123704127168
Energy: 1.0707745623299911
Energy: 0.9771534719518528
Energy: 0.952118444978829
Energy: 0.9770953007883727
Energy: 0.965768343798082
Energy: 1.0453928645966373
Energy: 1.0758005347363384
Energy: 1.0453633351832214
Energy: 0.9599539659055888
Energy: 1.2210419677559352
Energy: 1.052400253037332
Energy: 1.043467205251045
Energy: 1.0663066270790866
Energy: 1.0433957905251836
Energy: 1.0479679980260714
Energy: 1.2239537247954537
Energy: 1.0540288787143859
Energy: 1.0769682524632516
Energy: 1.1274528335049072
Energy: 1.049523390756897
Energy: 1.0478260328182463
Energy: 1.235819120279587
Energy: 1.0747841338907314
Energy: 1.0753998243160419
Energy: 1.076207224531384
Energy: 1.0674634349953165
Energy: 1.0890051430042336
Energy: 1.3783107011927542
Energy: 1.0814620873962104
Energy: 1.0677508056412273
Energy: 1.0753563109974678
Energy: 1.0698820809642497
Energy: 1.075599690371024
Energy: 1.3789584246558149
Energy: 1.0807613651014736
Energy: 1.0829447366546616
Energy: 1.0849895596942085
Energy: 1.0946372372383744
Energy: 1.072822407681746
Energy: 1.5054495115118791
Energy: 1.0689379939481456
Energy: 1.0770500639748737
Energy: 1.1240203602298493
Energy: 1.0988033244362998
Energy: 1.0741939069615505
Energy: 1.5181880315572478
Energy: 1.090386246289258
Energy: 1.0759239200407205
Energy: 1.1158044684082216
Energy: 1.0805255429915097
Energy: 1.0878507160717688
Energy: 1.6621427885659463
Energy: 1.088977164809929
Energy: 1.1015821105009145
Energy: 1.114700191552009
Energy: 1.0885259690376305
Energy: 1.0813440391097846
Energy: 1.6644955639584238
Energy: 1.0760503148594085
Energy: 1.0919130537222854
Energy: 1.1290175384474885
Energy: 1.0892178551406198
Energy: 1.0764182888528573
Energy: 1.6490962723520284
Energy: 1.0771253302315726
Energy: 1.068118192156122
Energy: 1.1051350424280424
Energy: 1.0701117394641828
Energy: 1.089165353792638
Energy: 1.9390480338032074
Energy: 1.0832685393636958
Energy: 1.0807300082920257
Energy: 1.1242772318071728
Energy: 1.077998439705706
Energy: 1.0930133549794752
Energy: 1.6897721844748108
Energy: 1.0687111028509797
Energy: 1.07497444462917
Energy: 1.0915754688848531
Energy: 1.0810856487353482
Energy: 1.0746311403975806
Energy: 1.9440686672072844
Energy: 1.0760191779361687
Energy: 1.0811824178433989
Energy: 1.0828125444977625
Energy: 1.080655543481155
Energy: 1.07989047175054
Energy: 1.6484380923602509
Energy: 1.0551821144688887
Energy: 1.0462962587354334
Energy: 1.0733315609440146
Energy: 1.0528409329039585
Energy: 1.0750398706179418
Energy: 1.9712827730658777
Energy: 1.0444548636547624
Energy: 1.0528321584306441
Energy: 1.0574545416198236
Energy: 1.045316392012715
Energy: 1.0592127589080518
Energy: 1.972786694732115
Energy: 1.045747481837699
Energy: 0.9578352367592845
Energy: 0.9683314953026799
Energy: 0.9659209217328302
Energy: 1.0579129940421603
Energy: 1.6490500960283063
Energy: 1.051732832872026
Energy: 0.9486029752377083
Energy: 0.9491615184567402
Energy: 0.9504224481219053
Energy: 1.0650747312124265
Energy: 1.9827300666433818
Energy: 0.9507540690630619
Energy: 0.9471554474895177
Energy: 0.9864960895143499
Energy: 0.948858916807764
Energy: 1.0761658636793356

minimum gb energy = 0.8550745605188707 eV
minimum distance =  2.19777639922424 Angstroms
sigma value = 81


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

Energy: 2.140476768721567
Energy: 1.0793553438494372
Energy: 0.9783304623960686
Energy: 0.9604087461624251
Energy: 1.106838465262735
Energy: 1.2211442317693355
Energy: 1.7036293230549142
Energy: 1.0987200974334648
Energy: 0.9570749963113647
Energy: 0.9625401496277258
Energy: 0.9584361856729751
Energy: 1.204324773924579
Energy: 1.6817735872995188
Energy: 1.0789437265300081
Energy: 0.9658119575235034
Energy: 0.9657882942173771
Energy: 0.9669577505893013
Energy: 1.1839130174648211
Energy: 1.718208545761589
Energy: 1.0788770346941599
Energy: 0.9591121518163657
Energy: 0.9581232586299305
Energy: 0.9578010375959392
Energy: 1.196127335882354
Energy: 1.713705585528876
Energy: 1.0805086318731014
Energy: 1.0961364506645384
Energy: 1.082845369645356
Energy: 1.0788183548662453
Energy: 1.203376482132969
Energy: 1.678786354703882
Energy: 1.0792559061500742
Energy: 1.079796644127119
Energy: 1.0821499703029254
Energy: 1.0778871701700012
Energy: 1.2265409957641222
Energy: 1.7064894484144246
Energy: 1.2073873520421237
Energy: 1.0884160089668955
Energy: 1.0800580385425311
Energy: 1.1033550033302826
Energy: 1.2078129273603424
Energy: 1.7166057016684664
Energy: 1.1983699256404947
Energy: 1.2224600392465363
Energy: 1.1093029357235216
Energy: 1.2030169532895385
Energy: 1.211526795044421
Energy: 1.6728947831169803
Energy: 1.2320297190314988
Energy: 1.2067481256300925
Energy: 1.2066029392709527
Energy: 1.2182667185566125
Energy: 1.2096759602555553
Energy: 1.6755512587061203
Energy: 1.2211313382389244
Energy: 1.1969621560226984
Energy: 1.2130262827295082
Energy: 1.206957336134027
Energy: 1.2312554762507895
Energy: 1.4713343446134
Energy: 1.220051002573418
Energy: 1.2292076169896422
Energy: 1.3827425979213033
Energy: 1.2317765929647206
Energy: 1.2142894342044337
Energy: 1.4866396321663236
Energy: 1.2313138952329532
Energy: 1.2288895295886584
Energy: 1.2515476044514309
Energy: 1.2302961895120696
Energy: 1.2294190536035365
Energy: 1.4882684009890499
Energy: 1.229322307696609
Energy: 1.220096124468025
Energy: 1.2106616440802207
Energy: 1.2295566398539735
Energy: 1.235558696098017
Energy: 1.459588771133591
Energy: 1.2040253912495036
Energy: 1.222789600928677
Energy: 1.2207168460677793
Energy: 1.2327580500365916
Energy: 1.2108293262836725
Energy: 1.4639592399804202
Energy: 1.2074455182648554
Energy: 1.2409938323184944
Energy: 1.2753503757872917
Energy: 1.208261365369686
Energy: 1.198236541042017
Energy: 1.1289313063670827
Energy: 1.218877509434374
Energy: 1.2087617638447405
Energy: 1.2178479898295842
Energy: 1.2066615987360556
Energy: 1.230496455098301
Energy: 1.1099882577399272
Energy: 1.0881844768506483
Energy: 1.2079261004796145
Energy: 1.2182649543581914
Energy: 1.1987774783490346
Energy: 1.0891341421618108
Energy: 1.1141962998878063
Energy: 1.0801189793638193
Energy: 1.1834881648358193
Energy: 1.2230314728701666
Energy: 1.0790368850262004
Energy: 1.0780233075274799
Energy: 1.1122327242087306
Energy: 1.0783935269867797
Energy: 1.1789729114867167
Energy: 1.2079207143096906
Energy: 1.078024750032627
Energy: 1.0786965378456048
Energy: 0.9589136741980246
Energy: 0.9579234591666363
Energy: 1.1787144225336406
Energy: 1.2082610999549341
Energy: 1.0782991602535432
Energy: 0.9568154540542785
Energy: 0.967259557328754
Energy: 0.9668683847691396
Energy: 1.1839869249004689
Energy: 1.2731446038183523
Energy: 0.9660792085477377
Energy: 0.9658804418135545
Energy: 0.9604067316216232
Energy: 0.9595526813247529
Energy: 1.1873394504333195
Energy: 1.221974845901931
Energy: 1.0961350982673954
Energy: 0.958259689898956
Energy: 0.9756454088844897
Energy: 0.9765194254906052
Energy: 1.208648512471382
Energy: 1.2402598625599852
Energy: 1.1034282935211681
Energy: 0.9764622097122766
Energy: 1.1196029969290686
Energy: 1.0806996303884404
Energy: 1.1870416326767759
Energy: 1.2216447539453266
Energy: 1.0957908051417302
Energy: 1.0786368386036371
Energy: 1.1117495805820616
Energy: 1.0774435142019751
Energy: 1.2285979747219369
Energy: 1.2726301561710223
Energy: 1.0792339446529253
Energy: 1.0855065647224225
Energy: 1.1285137248644022
Energy: 1.1016326269802144
Energy: 1.2068888836653533
Energy: 1.2111670103792838
Energy: 1.2029948154265662
Energy: 1.1007555451005397
Energy: 1.2986848541084672
Energy: 1.2031462628405685
Energy: 1.2077463760613505
Energy: 1.211381969014066
Energy: 1.2068192594328728
Energy: 1.2044130398432913
Energy: 1.2699533126052018
Energy: 1.208136937408865
Energy: 1.2076510646302168
Energy: 1.402598290521826
Energy: 1.2093773261655627
Energy: 1.2085438738623517
Energy: 1.465949346039014
Energy: 1.218376472511708
Energy: 1.221772603784741
Energy: 1.221752954904868
Energy: 1.2193552326792996
Energy: 1.2208310854165596
Energy: 1.4823364291112355
Energy: 1.2466257671439045
Energy: 1.2213280386196195
Energy: 1.1987167419686426
Energy: 1.2275412267211188
Energy: 1.2304565452656007
Energy: 1.691557464170455
Energy: 1.2271813846369555
Energy: 1.2449230522463062
Energy: 1.285810890996126
Energy: 1.229457754467192
Energy: 1.2094251863839487
Energy: 1.6831269860018312
Energy: 1.2199950993340054
Energy: 1.2116463712107595
Energy: 1.2041990277038208
Energy: 1.231339502977427
Energy: 1.221374215488262
Energy: 1.6818909296342668
Energy: 1.2071179682997342
Energy: 1.1981591521599684
Energy: 1.2288576827606614
Energy: 1.2093561156074846
Energy: 1.2211471006366326
Energy: 1.6729061931432065
Energy: 1.2076699203812582
Energy: 1.2031830343947703
Energy: 1.2112203509865576
Energy: 1.2033073300188837
Energy: 1.2175701673966433
Energy: 1.6693471634835804
Energy: 1.1970339644518577
Energy: 1.1015490098895158
Energy: 1.1003841800138021
Energy: 1.2212377891543233
Energy: 1.2091404092491895
Energy: 1.6820757230482346
Energy: 1.220381057203392
Energy: 1.0768613603319908
Energy: 1.0807367967344472
Energy: 1.078042554585715
Energy: 1.229482328008127
Energy: 1.719421593240286
Energy: 1.2011292092556451
Energy: 1.07885366843279
Energy: 1.0875502967780657
Energy: 1.0800395911762644
Energy: 1.2256764796114124
Energy: 1.7470316118433935
Energy: 1.0771198949376677
Energy: 1.0811705163710739
Energy: 0.9769935508274902
Energy: 1.078940652420992
Energy: 1.2074808626252846

minimum gb energy = 0.9568154540542785 eV
minimum distance =  2.27929307750781 Angstroms
sigma value = 43


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

Energy: 1.9648257424423945
Energy: 1.182885285669861
Energy: 1.0318980920150607
Energy: 1.0317882206767477
Energy: 1.1821222860649119
Energy: 1.3267882058515938
Energy: 1.4867043555840258
Energy: 1.1753646827136752
Energy: 1.0304738087283987
Energy: 1.0307108135995995
Energy: 1.031187291161264
Energy: 1.3056855636430285
Energy: 1.4398744835945507
Energy: 1.1758319056757218
Energy: 1.038296300196077
Energy: 1.037710378428207
Energy: 1.0379797220689235
Energy: 1.299694826344425
Energy: 1.6955640468048603
Energy: 1.1756110697466498
Energy: 1.0292506637506655
Energy: 1.0290750076777588
Energy: 1.0311160705566296
Energy: 1.3081406224377676
Energy: 1.6966934086846592
Energy: 1.1759117953988416
Energy: 1.1839598555327586
Energy: 1.183479522470975
Energy: 1.1747532801279301
Energy: 1.3146146108705874
Energy: 1.4608010991199396
Energy: 1.1751523746131518
Energy: 1.179797144599644
Energy: 1.1774682755378403
Energy: 1.177408950864573
Energy: 1.3427878496319698
Energy: 1.4885741244134563
Energy: 1.3309862838061037
Energy: 1.2000715055570244
Energy: 1.1780950152727676
Energy: 1.1826615366976778
Energy: 1.3232618170592556
Energy: 1.6627491809870065
Energy: 1.3094244492019622
Energy: 1.341959770906379
Energy: 1.2455401539765125
Energy: 1.3095538660996062
Energy: 1.3127132314850247
Energy: 1.438826770482076
Energy: 1.3166872351642935
Energy: 1.3572414572487483
Energy: 1.3109122070009684
Energy: 1.3164738377261784
Energy: 1.3184052029356135
Energy: 1.4487613276528248
Energy: 1.3186507643847574
Energy: 1.3154125564697987
Energy: 1.3091089569502923
Energy: 1.3156847315399172
Energy: 1.3267577163817434
Energy: 1.6851075397649147
Energy: 1.3114654302480853
Energy: 1.3360473096092451
Energy: 1.3592340721160776
Energy: 1.315612160758441
Energy: 1.3147532176147583
Energy: 1.6703790306263004
Energy: 1.3090406082956971
Energy: 1.3165636550022803
Energy: 1.316860710958792
Energy: 1.3156448452727603
Energy: 1.3269948637484121
Energy: 1.2214253679004314
Energy: 1.1986666108371296
Energy: 1.3176042893870037
Energy: 1.3398156923216527
Energy: 1.3103867535697742
Energy: 1.1990875211500382
Energy: 1.2222562236855399
Energy: 1.174349209049067
Energy: 1.343583610366928
Energy: 1.336168427750591
Energy: 1.3030014853360747
Energy: 1.1752058626915693
Energy: 1.2244177458988743
Energy: 1.1756189097492664
Energy: 1.2987757484364812
Energy: 1.3167330118697833
Energy: 1.1972899310389067
Energy: 1.1763750774067396
Energy: 1.0293828282424544
Energy: 1.1835106423419377
Energy: 1.3014704327888074
Energy: 1.3292497059039152
Energy: 1.1749169419481438
Energy: 1.183163856363612
Energy: 1.0310087181221061
Energy: 1.0305430817584318
Energy: 1.304175751234129
Energy: 1.3579493747998408
Energy: 1.175661813450074
Energy: 1.0303417189629926
Energy: 1.0385195570702375
Energy: 1.0380512799886172
Energy: 1.2996029234725917
Energy: 1.3763242424910813
Energy: 1.0539275480311512
Energy: 1.0377786236880038
Energy: 1.02973017150564
Energy: 1.0294237354817446
Energy: 1.1754362056398937
Energy: 1.3086046038266048
Energy: 1.1751561070402046
Energy: 1.0293268602274592
Energy: 1.2696804607588672
Energy: 1.1837491636800546
Energy: 1.1758673699993292
Energy: 1.3077525692028156
Energy: 1.175557731480818
Energy: 1.1828920217494467
Energy: 1.2234899500546017
Energy: 1.1786561453334468
Energy: 1.2997459185819709
Energy: 1.3259133416396218
Energy: 1.1758993996501412
Energy: 1.1736514248474705
Energy: 1.222256978628106
Energy: 1.1851979929879488
Energy: 1.3156578214613646
Energy: 1.4351643930144473
Energy: 1.1984951760232543
Energy: 1.1786515703895044
Energy: 1.2203344026744953
Energy: 1.326460881976852
Energy: 1.3247843487608832
Energy: 1.3099459796942063
Energy: 1.201456069334143
Energy: 1.199393147751964
Energy: 1.4169145247517012
Energy: 1.3316234780613232
Energy: 1.3159106018108413
Energy: 1.353872483994961
Energy: 1.3177588488028957
Energy: 1.309587576391759
Energy: 1.4507724981040737
Energy: 1.3314304905707248
Energy: 1.3208082287422656
Energy: 1.332430103135526
Energy: 1.3154295142307388
Energy: 1.3162271935415244
Energy: 1.449333512509301
Energy: 1.315629733272689
Energy: 1.312732683379621
Energy: 1.341156622237647
Energy: 1.317500416666472
Energy: 1.340895186888589
Energy: 1.4068877769334482
Energy: 1.3155161464983642
Energy: 1.308645647298219
Energy: 1.324182784640861
Energy: 1.3105347599653319
Energy: 1.3163445468970896
Energy: 1.9289344813015878
Energy: 1.3094572484359792
Energy: 1.1988245150525028
Energy: 1.1792495781910186
Energy: 1.3257687742679303
Energy: 1.3132291787316512
Energy: 1.4493806447098827
Energy: 1.3103844189465443
Energy: 1.174332094626863
Energy: 1.1761690908071836
Energy: 1.1743052634923061
Energy: 1.33688996973805
Energy: 1.4496361090882008
Energy: 1.173467602129335
Energy: 1.2000404629579273
Energy: 1.1788576139918716
Energy: 1.1783514929343535
Energy: 1.300653954492383
Energy: 1.909486129823454
Energy: 1.175173702251205
Energy: 1.1829735234355625
Energy: 1.182994355788644
Energy: 1.1751855232353297
Energy: 1.288779107863794

minimum gb energy = 1.0290750076777588 eV
minimum distance =  2.23632379528826 Angstroms
sigma value = 57


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

Energy: 1.6858149629083492
Energy: 1.3082796056276957
Energy: 1.1365345341142215
Energy: 1.128254783734304
Energy: 1.3105841833486074
Energy: 1.474787694945395
Energy: 1.6756427828998006
Energy: 1.3120706953499728
Energy: 1.1411745340165675
Energy: 1.1329312002839549
Energy: 1.1407837279871564
Energy: 1.434441248908683
Energy: 1.674878814695875
Energy: 1.3114695839680874
Energy: 1.1542146319373014
Energy: 1.1373563703939382
Energy: 1.1404407260329918
Energy: 1.431578367391691
Energy: 1.6631969085547134
Energy: 1.3051958300030806
Energy: 1.140941204014276
Energy: 1.12776942390135
Energy: 1.1374798144640312
Energy: 1.4288128576169807
Energy: 1.658056815891654
Energy: 1.3049261215227423
Energy: 1.3105473264223342
Energy: 1.3067300380910192
Energy: 1.310225291191587
Energy: 1.4286430378159138
Energy: 1.6740226581826363
Energy: 1.308544500328849
Energy: 1.2983665366263715
Energy: 1.3046736513225128
Energy: 1.29813245178045
Energy: 1.4876131623968956
Energy: 1.6765768789968982
Energy: 1.458197607339293
Energy: 1.3191456346871193
Energy: 1.3165355001542463
Energy: 1.3052616798773686
Energy: 1.4743850073923728
Energy: 1.3805490746299478
Energy: 1.4306431897550338
Energy: 1.4679443729542818
Energy: 1.1370975249765882
Energy: 1.476856349431912
Energy: 1.4327711925550968
Energy: 1.3896271573173036
Energy: 1.4776852110045149
Energy: 1.4280390277300044
Energy: 1.4833063338388481
Energy: 1.4545105231833046
Energy: 1.4679610395966272
Energy: 1.3877334274353808
Energy: 1.305329988015997
Energy: 1.4306864228898124
Energy: 1.566532035797055
Energy: 1.4312711178533597
Energy: 1.3155647238570602
Energy: 1.4092001731255337
Energy: 1.3092265411221007
Energy: 1.4311823559805128
Energy: 1.5216824800521949
Energy: 1.3070846337357303
Energy: 1.323237616005848
Energy: 1.3922175749443848
Energy: 1.3220105373791882
Energy: 1.3046165560090224
Energy: 1.4977393657865632
Energy: 1.3058326330526684
Energy: 1.314760029342285
Energy: 1.1309445759242827
Energy: 1.138288166947296
Energy: 1.4269944398949879
Energy: 1.4280702391373195
Energy: 1.3050573564033445
Energy: 1.1350153036885064
Energy: 1.1282677478688652
Energy: 1.160999411005679
Energy: 1.432200610767555
Energy: 1.5212864773251151
Energy: 1.160536061000771
Energy: 1.157063577792091
Energy: 1.1277645994708214
Energy: 1.144167266704497
Energy: 1.3093408565339653
Energy: 1.5115939125840478
Energy: 1.3321853648698387
Energy: 1.1264741404979384
Energy: 1.1323733689628408
Energy: 1.3099668958502273
Energy: 1.4293262001494116
Energy: 1.4293177906190369
Energy: 1.3095651903425667
Energy: 1.1334966403976547
Energy: 1.389789042304252
Energy: 1.309101501921542
Energy: 1.327700155063761
Energy: 1.3129532588808588
Energy: 1.307687896975871
Energy: 1.307152136918444
Energy: 1.3878543196822932
Energy: 1.2968404707030186
Energy: 1.4698573461683848
Energy: 1.3168079481630095
Energy: 1.3071563841406852
Energy: 1.3167707491220004
Energy: 1.3900890561619497
Energy: 1.3145315142535596
Energy: 1.468429862711351
Energy: 1.4966677968583957
Energy: 1.431316209237711
Energy: 1.3161663044645207
Energy: 1.389204799516235
Energy: 1.454061145542991
Energy: 1.4304550532680569
Energy: 1.4586330840799706
Energy: 1.431949222453675
Energy: 1.4782361983786256
Energy: 1.6481676271565442
Energy: 1.4536917085755077
Energy: 1.3150960683590913
Energy: 1.3248289296582685
Energy: 1.4534263991364647
Energy: 1.437393827143764
Energy: 1.3936256448203237
Energy: 1.430795559917098
Energy: 1.3202022324722196
Energy: 1.3119316124032263
Energy: 1.3042819556399312
Energy: 1.479082533929034
Energy: 1.6728520096489676
Energy: 1.3087603369106322
Energy: 1.3442102498700366
Energy: 1.3057318261549804
Energy: 1.3245495163909868
Energy: 1.4314786184299815
Energy: 1.1265069268064813
Energy: 1.3054025333379589
Energy: 1.3101979390084022
Energy: 1.1351353757382656
Energy: 1.3095846472630917
Energy: 1.4278609926347492

minimum gb energy = 1.1264741404979384 eV
minimum distance =  2.23119247915826 Angstroms
sigma value = 17


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

Energy: 2.620919387347922
Energy: 1.496645796891143
Energy: 1.3163558578882377
Energy: 1.519810265138606
Energy: 1.5047751204585433
Energy: 1.4623335156938138
Energy: 1.4677426764144061
Energy: 1.5264933997525907
Energy: 1.306207513857621
Energy: 1.3039187390720706
Energy: 1.3003261712745091
Energy: 1.5284248847221367
Energy: 1.483135395112712
Energy: 1.5145845508796587
Energy: 1.307231718465781
Energy: 1.3014716127124655
Energy: 1.3224402927401095
Energy: 1.4884732678913952
Energy: 1.4773185494958538
Energy: 1.4288140228362556
Energy: 1.3043913640935119
Energy: 1.3010557779704681
Energy: 1.48911791754829
Energy: 1.4292231333692023
Energy: 1.475558182789591
Energy: 1.4274700160935938
Energy: 1.4585721213922815
Energy: 1.2261591992853382
Energy: 1.4592517384667019
Energy: 1.4493298172387308
Energy: 1.482059398190358
Energy: 1.4610994424931234
Energy: 1.4607266314550347
Energy: 1.2274283603626996
Energy: 1.460724423949344
Energy: 1.5656068710663558
Energy: 1.4677376928805366
Energy: 1.5566335296264446
Energy: 1.4599627609634578
Energy: 1.2485936904474053
Energy: 1.42867432109522
Energy: 1.5548137225550682
Energy: 1.4575925615938603
Energy: 1.5582321934642043
Energy: 1.6052727279193642
Energy: 1.2516137673890226
Energy: 1.5634771889470378
Energy: 1.5590219280442281
Energy: 1.426207848990203
Energy: 1.5561412298364665
Energy: 1.617527062931524
Energy: 1.6069327146390866
Energy: 1.6176029501602172
Energy: 1.5571201573828868
Energy: 1.4553958468764314
Energy: 1.3791194780757186
Energy: 1.604750927627561
Energy: 1.255410420835309
Energy: 1.556741733452262
Energy: 1.3789856188922593
Energy: 1.4526634480915714
Energy: 1.3825538154931023
Energy: 1.3745512853397546
Energy: 1.249516712070487
Energy: 1.3752966193884186
Energy: 1.3604312060419652
Energy: 1.45418860100653
Energy: 1.380252125006465
Energy: 1.4640589020114776
Energy: 1.4532920301823002
Energy: 1.4544991946790011
Energy: 1.380871507188379
Energy: 1.4874686973763218
Energy: 1.522822075227891
Energy: 1.4557485096491272
Energy: 1.451518635225786
Energy: 1.454980609027601
Energy: 1.5255405814088037
Energy: 1.4460713560254455
Energy: 1.3656225792712087
Energy: 1.4866234860680234
Energy: 1.315695212742306
Energy: 1.4861723997939267
Energy: 1.2273627481355356
Energy: 1.4825294648539735
Energy: 1.4555504077052992
Energy: 1.498336236771763
Energy: 1.3187653067291039
Energy: 1.3959028899404968
Energy: 1.381004955724931
Energy: 1.4821480264152969
Energy: 1.5268690564631255
Energy: 1.533654397577208
Energy: 1.4995567986986564
Energy: 1.5297469055826407
Energy: 1.4720516778688029
Energy: 1.2448419662092705
Energy: 1.497308937683155
Energy: 1.4988301076211432
Energy: 1.301108665725696
Energy: 1.4991526479057278
Energy: 1.5946330595802116

minimum gb energy = 1.2261591992853382 eV
minimum distance =  2.19105032830328 Angstroms
sigma value = 17


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

Energy: 1.6692075061364098
Energy: 1.4621517275512887
Energy: 1.3103622315935333
Energy: 1.3083249204782732
Energy: 1.3072292392320806
Energy: 1.7420298821548386
Energy: 1.319685302764926
Energy: 1.4525382036823489
Energy: 1.3017281418575721
Energy: 1.3018579170607532
Energy: 1.3051548590316844
Energy: 1.4571077246883348
Energy: 1.3130460269681625
Energy: 1.4590702380098104
Energy: 1.305647281575727
Energy: 1.3041555210356712
Energy: 1.3030895181050206
Energy: 1.6374886990033448
Energy: 1.8244156845956991
Energy: 1.6048585831855005
Energy: 1.3231189320918566
Energy: 1.32042580112887
Energy: 1.3216907130989028
Energy: 1.6809163010736936
Energy: 1.4229144471747812
Energy: 1.679789489202549
Energy: 1.6021975203846983
Energy: 1.3079589495785575
Energy: 1.6799974734856433
Energy: 1.5997838378091522
Energy: 1.314053331553864
Energy: 1.3235967649236713
Energy: 1.6483812174251304
Energy: 1.518697158712146
Energy: 1.6992969250938454
Energy: 1.3096645166130394
Energy: 1.3180160465046273
Energy: 1.32148298162499
Energy: 1.604724681857418
Energy: 1.3091261257282722
Energy: 1.4738283432381878
Energy: 1.3214504435105123
Energy: 1.2945319642696758
Energy: 1.3039761829214476
Energy: 1.492455808258788
Energy: 1.3248249707789825
Energy: 1.3212642367664613
Energy: 1.3028657197273428
Energy: 1.3079756381764551
Energy: 1.307562865847297
Energy: 1.545955578630817
Energy: 1.6054120381073784
Energy: 1.4475971105015488
Energy: 1.3111605748229838
Energy: 1.48325007103743
Energy: 1.4508457653276385
Energy: 1.448086109031801
Energy: 1.4060563580633034
Energy: 1.4555443916851731
Energy: 1.4450640962721306
Energy: 1.489477968104707
Energy: 1.452138112229035
Energy: 1.4609709638612698
Energy: 1.3106253259451035
Energy: 1.452164898419196
Energy: 1.452063807622613
Energy: 1.4076247178458852
Energy: 1.4505275095887593
Energy: 1.5397784670089816
Energy: 1.4045794411191694
Energy: 1.6124158918326004
Energy: 1.4455034648417702
Energy: 1.3545965548478776
Energy: 1.6062048034924612
Energy: 1.6108336904337321
Energy: 1.4035412714232225
Energy: 1.607484846520264
Energy: 1.631696287559121
Energy: 1.9913254554350746
Energy: 1.537890150432342
Energy: 1.5203304519442868
Energy: 1.2845580473809282
Energy: 1.6525676678993655
Energy: 1.7642697651858594
Energy: 1.5539934408340312
Energy: 1.5369722637178052
Energy: 1.2778449438922135
Energy: 1.2797098769361452
Energy: 1.2775166898981145
Energy: 1.6066464916666205
Energy: 1.3516779265166032
Energy: 1.2814577796809463
Energy: 1.284957997830124
Energy: 1.2833774299366725
Energy: 1.2827209528100902
Energy: 1.595213808178442
Energy: 1.8174737950734763
Energy: 1.6257393169604537
Energy: 1.278995704385599
Energy: 1.296223716266916
Energy: 1.2783016335619164
Energy: 1.6152054732369177
Energy: 1.8176852434743913
Energy: 1.6263578018425506
Energy: 1.5357930114914369
Energy: 1.292757837093114
Energy: 1.5384362836439898
Energy: 1.6035051110064436
Energy: 1.4932327080687353
Energy: 1.6044994242966304
Energy: 1.6018076302394657
Energy: 1.5500867969680892
Energy: 1.6027149560950595
Energy: 1.3068384013383336
Energy: 1.4858690299743589
Energy: 1.4483965193826136
Energy: 1.542561392058653
Energy: 1.475388855525463
Energy: 1.6054039818184085
Energy: 1.4431136077990263
Energy: 1.4840971094070954
Energy: 1.4513088663472593
Energy: 1.455126301606063
Energy: 1.3192957261773794
Energy: 1.4517033791788256
Energy: 1.446116881073247
Energy: 1.444838859054572
Energy: 1.4496445841951975
Energy: 1.5633505561993917
Energy: 1.6726609933722303
Energy: 1.4464320997899291
Energy: 1.303852767420822
Energy: 1.302912027547709
Energy: 1.3050923594572486
Energy: 1.4498146930319749
Energy: 1.4585174480493521
Energy: 1.4444762389638104
Energy: 1.3019729725085223
Energy: 1.302748385923048
Energy: 1.3047477289471
Energy: 1.4586519031814982
Energy: 1.3069090385255029
Energy: 1.3028983173864959
Energy: 1.3046949907571743
Energy: 1.3123051704146733
Energy: 1.3058007420273274
Energy: 1.6007973162584317
Energy: 1.581531867259773
Energy: 1.5989056692616088
Energy: 1.3054879947273152
Energy: 1.3058973304652606
Energy: 1.696808417153579
Energy: 1.6053508401225587
Energy: 1.4028293402478589
Energy: 1.693128980537869
Energy: 1.6820790604498466
Energy: 2.0102895339282214
Energy: 1.6974844725827025
Energy: 1.6939229642394376
Energy: 1.3073267226057177
Energy: 1.6962037535720302
Energy: 1.6483202739683387
Energy: 1.2730911394469062
Energy: 1.673037877014426
Energy: 1.3191650446129375
Energy: 1.308312924619444
Energy: 1.3067149433818905
Energy: 1.6019210681547358
Energy: 1.3093668091699036
Energy: 1.30987077547077
Energy: 1.3068785169678716
Energy: 1.2974453372341594
Energy: 1.3050470816595634
Energy: 1.4068302276976163
Energy: 1.8159150742184642
Energy: 1.444654111705124
Energy: 1.304879612306269
Energy: 1.3023996157058713
Energy: 1.304828558615141
Energy: 1.6039830757425064
Energy: 1.8187954375472442
Energy: 1.4597211159957288
Energy: 1.4461908431038253
Energy: 1.4781759567264419
Energy: 1.4479408777465932
Energy: 1.6050996591706712
Energy: 1.311016657575468
Energy: 1.4520317396712705
Energy: 1.4548419171340148
Energy: 1.2975385539583442
Energy: 1.4570898229814184
Energy: 1.4638601391119634
Energy: 1.4739728526001123
Energy: 1.542427111409764
Energy: 1.4444695079444994
Energy: 1.4394274634114441
Energy: 1.4443906082317641
Energy: 1.5420765409466088
Energy: 1.8227538959014613
Energy: 1.6051828276634768
Energy: 1.5096312572544348
Energy: 1.3518203082994718
Energy: 1.605866164343846
Energy: 1.6058904855283367
Energy: 1.3083987283846545
Energy: 1.5440169578131766
Energy: 1.6654757996928564
Energy: 1.5292406205980127
Energy: 1.6250045200284955
Energy: 1.4033601528680906
Energy: 1.2915367960065083
Energy: 1.2820473704362005
Energy: 1.6112997752221454
Energy: 1.526818733658154
Energy: 1.539466991436703
Energy: 1.2914106929169535
Energy: 1.2781999466541223
Energy: 1.2819967016491634
Energy: 1.567594598627801
Energy: 1.3521569041382842
Energy: 1.2873977627414308
Energy: 1.2818287439258638
Energy: 1.2889847023577627
Energy: 1.279180499171539
Energy: 1.6074175608142292
Energy: 1.3026774543715391
Energy: 1.4006761508596828
Energy: 1.2795702899622103
Energy: 1.309674496817605
Energy: 1.5184584527958018
Energy: 1.6956181844669453
Energy: 1.604421311960383
Energy: 1.5365751325001649
Energy: 1.2893383080627172
Energy: 1.6545663611721535
Energy: 1.604085225611296
Energy: 1.6062961371186593
Energy: 1.3558377646361088
Energy: 1.6060121105888863
Energy: 1.6056454193894478
Energy: 1.4756439714284142
Energy: 1.6251213371994873
Energy: 1.4511856052890029
Energy: 1.4906417547151245
Energy: 1.4857217151555897
Energy: 1.535932380346142
Energy: 1.4704492416888042
Energy: 1.4872229192569137
Energy: 1.447862368987158
Energy: 1.2981297686968392
Energy: 1.44561002728932
Energy: 1.5503220097069972
Energy: 1.6407573130311564
Energy: 1.4532790591835791
Energy: 1.447031058606436
Energy: 1.4862494409678302
Energy: 1.4484514393557293
Energy: 1.5551805221729715

minimum gb energy = 1.2730911394469062 eV
minimum distance =  2.16951720107188 Angstroms
sigma value = 57


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

Energy: 1.9271682998062758
Energy: 1.7788506742963608
Energy: 1.4365497801445717
Energy: 1.5106494338673175
Energy: 1.6701638922213573
Energy: 1.8432387616691392
Energy: 1.3276897794596543
Energy: 1.5076214062255917
Energy: 1.3565148868403918
Energy: 1.3190158578643438
Energy: 1.3356105711524748
Energy: 1.506728565757617
Energy: 1.3432157026820581
Energy: 1.5374753404866244
Energy: 1.350848605949208
Energy: 1.3099356428180495
Energy: 1.3361496327232216
Energy: 1.671776040658051
Energy: 1.6348484827468077
Energy: 1.6609959712277225
Energy: 1.398053516041654
Energy: 1.3449707506982782
Energy: 1.3512251169985443
Energy: 1.6482741206728349
Energy: 1.6423066622565439
Energy: 1.6606276179629278
Energy: 1.6506019594098977
Energy: 1.6325865370593662
Energy: 1.6464349435342431
Energy: 1.6523817231792317
Energy: 1.337494954773085
Energy: 1.362198225900538
Energy: 1.62943687679906
Energy: 1.6266100506126167
Energy: 1.709195443497017
Energy: 1.3334936824495858
Energy: 1.3307441362543433
Energy: 1.33484778685968
Energy: 1.667406912103242
Energy: 1.646868623656112
Energy: 1.5292101498848656
Energy: 1.3420747736199807
Energy: 1.327194608578322
Energy: 1.3397593807095072
Energy: 1.550055970653503
Energy: 1.3462917663476284
Energy: 1.356928539816906
Energy: 1.3383585083895437
Energy: 1.333470496172629
Energy: 1.3475845507922573
Energy: 1.6532070466402764
Energy: 1.4970742099222332
Energy: 1.5048392286303574
Energy: 1.3393829331133875
Energy: 1.6405285275863373
Energy: 1.5028264068275787
Energy: 1.505780654249417
Energy: 1.5220786149235173
Energy: 1.5095486393346749
Energy: 1.5044081986294904
Energy: 1.3493484417037378
Energy: 1.5017927402277325
Energy: 1.5316789979975372
Energy: 1.347031734709798
Energy: 1.5003130597807572
Energy: 1.4986719304553506
Energy: 1.3464619523541392
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Energy: 1.5071367221491958
Energy: 1.3343217950447923
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Energy: 1.5334516145167063
Energy: 1.3559030774415972
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Energy: 1.5033953438792
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Energy: 1.5069786225861013
Energy: 1.5294968983257273
Energy: 1.930381861025885
Energy: 1.6128788042831208
Energy: 1.3601774694447275
Energy: 1.3566886729003254
Energy: 1.6044714646345173
Energy: 1.7746760554275243
Energy: 1.3992486220421507
Energy: 1.513427818841362
Energy: 1.356601753918256
Energy: 1.322933683550714
Energy: 1.3445268254747214
Energy: 1.5132381992171104
Energy: 1.3430049371461068
Energy: 1.5038612861312763
Energy: 1.3396410025798349
Energy: 1.3164121233431065
Energy: 1.3535042532425992
Energy: 1.5021096111420236
Energy: 1.629067565686918
Energy: 1.6594052232392509
Energy: 1.3944496062590397
Energy: 1.3378060456487233
Energy: 1.3400000198053368
Energy: 1.6530423532658394
Energy: 1.6411818499667694
Energy: 1.6591072753809064
Energy: 1.670363041903113
Energy: 1.349189654371491
Energy: 1.660254185382749
Energy: 1.648661994127955
Energy: 1.3458916674012893
Energy: 1.7098837932549475
Energy: 1.630666763313967
Energy: 1.6322790571992485
Energy: 1.709695739580736
Energy: 1.3501239136473098
Energy: 1.3273293132212038
Energy: 1.3412056084946646
Energy: 1.670404153606995
Energy: 1.5252209153926135
Energy: 1.5281126060881314
Energy: 1.330569017497767
Energy: 1.3250610943034253
Energy: 1.3382161621426454
Energy: 1.5459741427765572
Energy: 1.343838127859405
Energy: 1.3437412572665957
Energy: 1.3454922439165018
Energy: 1.3378784875891816
Energy: 1.3371024354567065
Energy: 1.67429243229257
Energy: 1.524097912296481
Energy: 1.537981449941414
Energy: 1.3315472597146891
Energy: 1.3373828864005366
Energy: 1.5089952491132792
Energy: 1.503962893679009
Energy: 1.3301153718980603
Energy: 1.5010098598753852
Energy: 1.5223149064267862
Energy: 1.3549271363353275
Energy: 1.5035461149997238
Energy: 1.5540533233985463
Energy: 1.3493156481674597
Energy: 1.5073945204378223
Energy: 1.5010980907805527
Energy: 1.3440896020859405
Energy: 1.5263244713169182
Energy: 1.5055677590504575
Energy: 1.3323157898301925
Energy: 1.5493439974698386
Energy: 1.5300148258400352
Energy: 1.3562868264184171
Energy: 1.5117766311979408
Energy: 1.4996478611969883
Energy: 1.3304919911329651
Energy: 1.508162446134587
Energy: 1.4771903403260036
Energy: 1.9187076386428656
Energy: 1.507589400671626
Energy: 1.5724883049426372
Energy: 1.3473993549806125
Energy: 1.5080527377858428
Energy: 1.6737941689603717

minimum gb energy = 1.3099356428180495 eV
minimum distance =  2.17617253512485 Angstroms
sigma value = 43


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

Energy: 1.3910741751641995
Energy: 1.3673371656438615
Energy: 1.3662960787213712
Energy: 1.3702756072236035
Energy: 1.368436071922148
Energy: 1.7287545902235129
Energy: 1.402826666312341
Energy: 1.3619522241710176
Energy: 1.3627720031030366
Energy: 1.3604083497485406
Energy: 1.385568998226851
Energy: 1.512319062661901
Energy: 1.4992122245136266
Energy: 1.5436980556010886
Energy: 1.3650491331832562
Energy: 1.3561355123769878
Energy: 1.3753251649054012
Energy: 1.6426418695588645
Energy: 1.495578972635959
Energy: 1.64611780271927
Energy: 1.3809522509788594
Energy: 1.382246692604531
Energy: 1.5310744886475096
Energy: 1.6458034729104898
Energy: 1.5958782052067646
Energy: 1.6428783523081396
Energy: 1.638476383441591
Energy: 1.396521720649154
Energy: 1.6398914624928869
Energy: 1.6442312798568537
Energy: 1.3467830303235528
Energy: 1.3654961284419516
Energy: 1.7287848114207245
Energy: 1.5997199355485194
Energy: 1.564882585266905
Energy: 1.358632972228822
Energy: 1.3302506970073988
Energy: 1.3351610817463095
Energy: 1.6390290703754742
Energy: 1.4368130283339668
Energy: 1.3330516658432128
Energy: 1.3336322138956451
Energy: 1.331455366323814
Energy: 1.3345354362597077
Energy: 1.5268330841932054
Energy: 1.4334710411822522
Energy: 1.333822525187607
Energy: 1.33285318952728
Energy: 1.3488541422544684
Energy: 1.3629745387908523
Energy: 1.6443997428685853
Energy: 1.6460896607112112
Energy: 1.5636859167184798
Energy: 1.3512537126975461
Energy: 1.6990103713598022
Energy: 1.6437704183628339
Energy: 1.6387232040674697
Energy: 1.4307478267252247
Energy: 1.6452017855683785
Energy: 1.6441179435405446
Energy: 1.800358403106702
Energy: 1.6751014436964042
Energy: 1.3917918793684287
Energy: 1.3770247198861272
Energy: 1.5229497707146613
Energy: 1.598553576303239
Energy: 1.5988665029301528
Energy: 1.6704292160872023
Energy: 1.3644743768899525
Energy: 1.363435572615896
Energy: 1.369285335128387
Energy: 1.6442417122754687
Energy: 1.497699623715581
Energy: 1.3617552899068806
Energy: 1.3629950596222733
Energy: 1.3615134920210046
Energy: 1.3633366053039957
Energy: 1.5619887011692708
Energy: 1.5966828437648934
Energy: 1.3788609688915847
Energy: 1.3785289953792175
Energy: 1.3778038139931426
Energy: 1.3813044294173327
Energy: 1.5549141702410667
Energy: 1.5249124802760643
Energy: 1.5124431599389083
Energy: 1.5130200782677325
Energy: 1.364993218449188
Energy: 1.5118526211754435
Energy: 1.5144559987564055
Energy: 1.6028627305774026
Energy: 1.5572169812125625
Energy: 1.5132895475350212
Energy: 1.361710819124881
Energy: 1.5114005693442272
Energy: 1.52975217102545
Energy: 1.598353987316066
Energy: 1.5111015812505955
Energy: 1.53239201147025
Energy: 1.496744122529322
Energy: 1.4723023031476636
Energy: 1.508377039828802
Energy: 1.597959760434457
Energy: 1.5122446867418047
Energy: 1.511334532245123
Energy: 1.394903958499002
Energy: 1.5147984252370437
Energy: 1.511085993626636
Energy: 1.3681891280600846
Energy: 1.3673755530189828
Energy: 1.8115663777261748
Energy: 1.7489624082048132
Energy: 1.3700390546507217
Energy: 1.36981316886788
Energy: 1.3593541553330222
Energy: 1.367500497468461
Energy: 1.513105969305963
Energy: 1.395643629971839
Energy: 1.3636788149011887
Energy: 1.3622613846454636
Energy: 1.3555042317136698
Energy: 1.3647499077113585
Energy: 1.6607101124858044
Energy: 1.4973836415396677
Energy: 1.388307013347652
Energy: 1.3745900754206788
Energy: 1.3740530733725076
Energy: 1.3779108564977194
Energy: 1.643337916126019
Energy: 1.514953874538132
Energy: 1.6389305974866666
Energy: 1.3801792363307566
Energy: 1.3948617064351316
Energy: 1.6395554153283391
Energy: 1.6436968109670076
Energy: 1.3641891753844997
Energy: 1.6452494714879984
Energy: 1.6381555035335957
Energy: 1.8042306668576777
Energy: 1.5636182122740707
Energy: 1.36214459276079
Energy: 1.3578828848255622
Energy: 1.563498051601393
Energy: 1.7282246818019322
Energy: 1.4320780575783059
Energy: 1.5266397895272246
Energy: 1.3345495188998757
Energy: 1.3326640964927836
Energy: 1.3338649423410889
Energy: 1.6736346500263606
Energy: 1.4317488661816904
Energy: 1.5266460956098145
Energy: 1.3412799418744807
Energy: 1.332168549414245
Energy: 1.333067662318011
Energy: 1.7244353179603984
Energy: 1.5911116651874961
Energy: 1.6929370941936306
Energy: 1.3603422850136773
Energy: 1.3494807998342213
Energy: 1.360126300943537
Energy: 1.6224133494127486
Energy: 1.5308823616970102
Energy: 1.639166905158951
Energy: 1.6445420076650583
Energy: 1.3638532540785295
Energy: 1.6460891617637101
Energy: 1.6400865181036188
Energy: 1.377211065525996
Energy: 1.3801105381782082
Energy: 1.652064680054576
Energy: 1.6018370701725417
Energy: 1.673113556298433
Energy: 1.3771629596573645
Energy: 1.3630379531643357
Energy: 1.3825923603995023
Energy: 1.6599131368545994
Energy: 1.5981740845680907
Energy: 1.5451519614909288
Energy: 1.3660061377012815
Energy: 1.3605426959053655
Energy: 1.3621022429458571
Energy: 1.5149235104909387
Energy: 1.5215489034654928
Energy: 1.3605666924564925
Energy: 1.3621967909784967
Energy: 1.374904135192835
Energy: 1.3814549838225987
Energy: 1.5545637695389245
Energy: 1.4899846663001577
Energy: 1.3779661841781428
Energy: 1.3765771376819136
Energy: 1.5968736281594662
Energy: 1.5134847052648615
Energy: 1.5113556082137283
Energy: 1.4306722882343108
Energy: 1.5119225344202885
Energy: 1.5132950600376023
Energy: 1.3898128012124438
Energy: 1.5116906311509706
Energy: 1.5115389818147167
Energy: 1.6013406570062427
Energy: 1.5699473070030143
Energy: 1.5125359941646797
Energy: 1.4980892494111455
Energy: 1.5560770140712226
Energy: 1.512067321102472
Energy: 1.3623181287352184
Energy: 1.5113774933936293
Energy: 1.5303252769719442
Energy: 1.3937112653783934
Energy: 1.5139179695033673
Energy: 1.5120744705485165
Energy: 1.3622651363260594
Energy: 1.5120895083798136
Energy: 1.5705485057366968

minimum gb energy = 1.3302506970073988 eV
minimum distance =  2.20449075328103 Angstroms
sigma value = 81


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

Energy: 1.3328178780106534
Energy: 1.6069560956327866
Energy: 1.5489853505096778
Energy: 1.5399434974969848
Energy: 1.6059255853461194
Energy: 1.359565150630495
Energy: 1.3787932359508905
Energy: 1.4166262366726718
Energy: 1.365634167731307
Energy: 1.3669091857211917
Energy: 1.3667106681970986
Energy: 1.415607703202135
Energy: 1.4286297162183907
Energy: 1.4174374431125452
Energy: 1.3652110664066288
Energy: 1.3650297529960684
Energy: 1.3659833332747433
Energy: 1.4152400732027188
Energy: 1.429094815238642
Energy: 1.4156957238464067
Energy: 1.362281935456077
Energy: 1.3625733375977034
Energy: 1.4160739434673146
Energy: 1.4169608684600232
Energy: 1.4222735084338534
Energy: 1.4152602580966298
Energy: 1.4161246736068303
Energy: 1.3589454965843586
Energy: 1.4172363511843056
Energy: 1.4180519369000435
Energy: 1.3765993575772886
Energy: 1.5415743456588553
Energy: 1.3598274002866726
Energy: 1.340324237364042
Energy: 1.4157455236525827
Energy: 1.3688001233742821
Energy: 1.3786892338344523
Energy: 1.366088148951466
Energy: 1.4187662406696677
Energy: 1.3653798759294675
Energy: 1.5423214562025576
Energy: 1.3655047139420178
Energy: 1.3798067787998727
Energy: 1.3663008630740114
Energy: 1.4153367149908458
Energy: 1.4166044367517685
Energy: 1.4146337024638702
Energy: 1.3618274613070755
Energy: 1.5448625081301248
Energy: 1.3644452313657953
Energy: 1.417376109887656
Energy: 1.4158184053559413
Energy: 1.4153465218715193
Energy: 1.3682300358996533
Energy: 1.369207581670406
Energy: 1.4147177003346532
Energy: 1.415021602399163
Energy: 1.4144477288357282
Energy: 1.4186695058929366
Energy: 1.4187260542358213

minimum gb energy = 1.3328178780106534 eV
minimum distance =  2.24764004136411 Angstroms
sigma value = 3


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

Energy: 1.6220277868863993
Energy: 1.4791086363455759
Energy: 1.6207268278354754
Energy: 1.543158048791556
Energy: 1.4798130994405485
Energy: 1.7445735136346334
Energy: 1.5040486054424245
Energy: 1.3422475370692015
Energy: 1.4805935522804878
Energy: 1.4774717248838285
Energy: 1.3407019389001793
Energy: 1.5207843908926841
Energy: 1.4975650509813987
Energy: 1.412806771469726
Energy: 1.3428541281943311
Energy: 1.4777857018473612
Energy: 1.3419906885831032
Energy: 1.477072451752134
Energy: 1.4749176282701886
Energy: 1.5071346917481245
Energy: 1.3543770740110435
Energy: 1.4984392028568219
Energy: 1.49194387720851
Energy: 1.5023423890260548
Energy: 1.4772585900893536
Energy: 1.5359442656265738
Energy: 1.6102520651235634
Energy: 1.6928931612181837
Energy: 1.5324275733122892
Energy: 1.4773247611005955
Energy: 1.593003909577672
Energy: 1.4906145824017234
Energy: 1.5795408147858283
Energy: 1.5693718833970656
Energy: 1.490611382929935
Energy: 1.544820848250105
Energy: 1.6086671843280367
Energy: 1.5292278865708817
Energy: 1.5317895175659486
Energy: 1.4965651733847651
Energy: 1.671938953311692
Energy: 1.5028955980016265
Energy: 1.6098464748713728
Energy: 1.5038156035190304
Energy: 1.353628284311169
Energy: 1.3512700795431924
Energy: 1.3448007749992035
Energy: 1.5089730577499512
Energy: 1.693724706286396
Energy: 1.3455864817371566
Energy: 1.3414507733975978
Energy: 1.3204334972941012
Energy: 1.3427423052566274
Energy: 1.7014800873475104
Energy: 1.695081648844115
Energy: 1.3396218800187918
Energy: 1.350640288089261
Energy: 1.3229483664134096
Energy: 1.3456059405101701
Energy: 1.6027590479540927
Energy: 1.5905856190969574
Energy: 1.5830354836599638
Energy: 1.5738286880150556
Energy: 1.3211421138140307
Energy: 1.6026725881603396
Energy: 1.7078762147807192
Energy: 1.6940169365365088
Energy: 1.6514270652109475
Energy: 1.3429794740682204
Energy: 1.7222709949919828
Energy: 1.7038958191329838
Energy: 1.6165661388340125
Energy: 1.3169952127475462
Energy: 1.3468222816049091
Energy: 1.3433316221384397
Energy: 1.7226718006169925
Energy: 1.3392820705308903
Energy: 1.3500282899874603
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Energy: 1.344002716296365
Energy: 1.340817400090848
Energy: 1.6939546346627834
Energy: 1.3411052095999332
Energy: 1.3328630689040475
Energy: 1.3374897561627765
Energy: 1.3415405817201707
Energy: 1.340689710167604
Energy: 1.681256162433852
Energy: 1.4800621876195426
Energy: 1.3541105623764504
Energy: 1.3451341872937717
Energy: 1.5597088018907077
Energy: 1.716896032916025
Energy: 1.6811449279497195
Energy: 1.5574293309434875
Energy: 1.352832944870373
Energy: 1.6532661448175419
Energy: 1.477777187565064
Energy: 1.6998213985018076
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Energy: 1.56997648093829
Energy: 1.3223866529814206
Energy: 1.724707335990199
Energy: 1.4814307174607604
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Energy: 1.340858304498346
Energy: 1.6530034278422454
Energy: 1.4973567715991472
Energy: 1.4939843665282262
Energy: 1.5047139972598702
Energy: 1.5013110239103005
Energy: 1.5044362429509401
Energy: 1.5161607784431457
Energy: 1.4743220851168921
Energy: 1.344972934735119
Energy: 1.3425043008714908
Energy: 1.4798158853777679
Energy: 1.3452591125521796
Energy: 1.5027735991388411
Energy: 1.473314855085247
Energy: 1.5053021715287733
Energy: 1.5245490774650365
Energy: 1.4987820490612407
Energy: 1.5046641940202998
Energy: 1.5065189569984572
Energy: 1.475974716130165
Energy: 1.4770709724809832
Energy: 1.5663280752815008
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Energy: 1.483968309379707
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Energy: 1.6804276865889756
Energy: 1.47813862276045
Energy: 1.6110157039172615
Energy: 1.6927210681481042
Energy: 1.6756515236654754
Energy: 1.6994356311124763
Energy: 1.6132979550363555
Energy: 1.723715791286639
Energy: 1.3548832640596258
Energy: 1.3511641264547225
Energy: 1.5866487654975217
Energy: 1.6633228686443662
Energy: 1.6800830676900613
Energy: 1.480967117069145
Energy: 1.3420849465118372
Energy: 1.344651068533991
Energy: 1.34319056090368
Energy: 1.6992494131826428
Energy: 1.694601744849432
Energy: 1.3415497202755542
Energy: 1.355663758469063
Energy: 1.3404587972591102
Energy: 1.3421455184497177
Energy: 1.4489125751187915
Energy: 1.5902713743751133
Energy: 1.5829089486991814
Energy: 1.3553004309873986
Energy: 1.344582112809538
Energy: 1.5170795650901117
Energy: 1.7139494608222394
Energy: 1.6941538140212076
Energy: 1.5171256722794018
Energy: 1.5178603102312913
Energy: 1.722838248569268
Energy: 1.5157736846950316
Energy: 1.6026795346619853
Energy: 1.3444654828366944
Energy: 1.3475986878376756
Energy: 1.7537261397639918
Energy: 1.3429371207306944
Energy: 1.567344618188497
Energy: 1.3542798204353417
Energy: 1.3224660806959732
Energy: 1.3407424801143177
Energy: 1.3455301903373948
Energy: 1.6945921944570723
Energy: 1.3389357848342673
Energy: 1.336009038485222
Energy: 1.3198793824495851
Energy: 1.3422453764669948
Energy: 1.4809174317907365
Energy: 1.6863048835367107
Energy: 1.3418874337720557
Energy: 1.3389306714651399
Energy: 1.3377706243980942
Energy: 1.494607875830817
Energy: 1.715762032212687
Energy: 1.7169852376589714
Energy: 1.5553122512946205
Energy: 1.3553289052625892
Energy: 1.647658454683882
Energy: 1.6109467055045648
Energy: 1.4942423658693131
Energy: 1.6814336287610858
Energy: 1.340514461305384
Energy: 1.6527494323369427

minimum gb energy = 1.3145264285638918 eV
minimum distance =  2.22604548723053 Angstroms
sigma value = 67


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

Energy: 1.7823570819056258
Energy: 1.825012687790972
Energy: 1.5837951600544022
Energy: 1.4951803349735393
Energy: 1.824557073661741
Energy: 1.823016399115576
Energy: 1.4546883772255015
Energy: 1.4411149893806774
Energy: 1.5108451301594248
Energy: 1.4623132272788548
Energy: 1.4184673765185898
Energy: 1.573893003089954
Energy: 1.4714239245720135
Energy: 1.3305624263012192
Energy: 1.505343214396435
Energy: 1.4587735077019912
Energy: 1.4207644580412575
Energy: 1.4559723550592727
Energy: 1.4601263198252716
Energy: 1.4915503335961438
Energy: 1.3550072351122846
Energy: 1.4531179182436476
Energy: 1.3479324299083575
Energy: 1.4898573896761629
Energy: 1.4751895504905237
Energy: 1.538971439044286
Energy: 1.6586279741145369
Energy: 1.4550407051843388
Energy: 1.516854311852398
Energy: 1.4890398803291438
Energy: 1.506504558227422
Energy: 1.543261575701116
Energy: 1.7819316629454607
Energy: 1.5171396251609526
Energy: 1.7473234545027783
Energy: 1.5343128421487007
Energy: 1.6407700959993226
Energy: 1.526024837898075
Energy: 1.5460174766952044
Energy: 1.2889786883105807
Energy: 1.5313002961247097
Energy: 1.5316432402627362
Energy: 1.6419244066138867
Energy: 1.5265227690043826
Energy: 1.3396966234705272
Energy: 1.2902127226506024
Energy: 1.320213829634865
Energy: 1.7186728070560062
Energy: 1.6506113475802775
Energy: 1.2956494033827326
Energy: 1.2854556775517503
Energy: 1.2710670711386685
Energy: 1.289762232545976
Energy: 1.519810901687196
Energy: 1.6668200679284144
Energy: 1.4495930008305684
Energy: 1.3237743328506657
Energy: 1.2916656614268895
Energy: 1.3375004387378484
Energy: 1.5665184091227078
Energy: 1.666223892972332
Energy: 1.7931319650787942
Energy: 1.5865350708122206
Energy: 1.2930025091991733
Energy: 1.700216217819923
Energy: 1.7771735685814718
Energy: 1.6531209157638072
Energy: 1.7046121223204451
Energy: 1.2676215938631572
Energy: 1.6597407626675007
Energy: 1.4222004223628744
Energy: 1.6505252273238924
Energy: 1.4542030014650984
Energy: 1.4510049112607797
Energy: 1.267225022083103
Energy: 1.6313747227068673
Energy: 1.443777695249952
Energy: 1.4797238539828164
Energy: 1.4600421505155068
Energy: 1.4984936933019193
Energy: 1.3375403863393893
Energy: 1.455225749099929
Energy: 1.4195989596024865
Energy: 1.4918964085880864
Energy: 1.4518163379814986
Energy: 1.4436715049908357
Energy: 1.507537354612318
Energy: 1.4714837150517714
Energy: 1.447355793281588
Energy: 1.4244821529085816
Energy: 1.4548476771067336
Energy: 1.4413513968273022
Energy: 1.5110969694633045
Energy: 1.4577907595178448
Energy: 1.5229747704283683
Energy: 1.3613009345369527
Energy: 1.6646351946090268
Energy: 1.2688452727619977
Energy: 1.4793491118439719
Energy: 1.471945139028709
Energy: 1.4862010771928564
Energy: 1.5540481012405079
Energy: 1.6690154340078476
Energy: 1.4456565190556963
Energy: 1.516452136086525
Energy: 1.6668481297576236
Energy: 1.5259272488095688
Energy: 1.3042005284827618
Energy: 1.2757394205310664
Energy: 1.3290808919537396
Energy: 1.7097104886599817
Energy: 1.7103503258289223
Energy: 1.7805070582137683
Energy: 1.3438166412670614
Energy: 1.2865512726473243
Energy: 1.2907564839998025
Energy: 1.3471044101748202
Energy: 1.6646151622540828
Energy: 1.2956477802871678
Energy: 1.2892290556457513
Energy: 1.2707280077920782
Energy: 1.2864213549195986
Energy: 1.2937473393360706
Energy: 1.6539212056060206
Energy: 1.2977933506425716
Energy: 1.2702254874032823
Energy: 1.2974291399859446
Energy: 1.338888721855194
Energy: 1.7918395490722985
Energy: 1.4586683816828983
Energy: 1.6937456632626404
Energy: 1.3306791774099231
Energy: 1.6349227612827755
Energy: 1.4507295378331644
Energy: 1.537950642238759
Energy: 1.6508226694789023
Energy: 1.4452881952316483
Energy: 1.4426780764242666

minimum gb energy = 1.267225022083103 eV
minimum distance =  2.22353345825619 Angstroms
sigma value = 33


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

Energy: 1.7786494198541865
Energy: 1.720881159227631
Energy: 1.5872464552022185
Energy: 1.580236429846096
Energy: 1.5951403936839945
Energy: 1.8452932557296287
Energy: 1.3329914569900505
Energy: 1.4610559909306806
Energy: 1.6421528575218078
Energy: 1.5403110455361513
Energy: 1.461795751677627
Energy: 1.4594437365664361
Energy: 1.3395673024724992
Energy: 1.3571117622514812
Energy: 1.568652212806307
Energy: 1.4645744385385615
Energy: 1.4564133037364035
Energy: 1.3321855010350352
Energy: 1.3237025633741761
Energy: 1.3537345716232718
Energy: 1.3499113250733488
Energy: 1.538719416924454
Energy: 1.328198741614819
Energy: 1.3476132176435436
Energy: 1.3391593322908757
Energy: 1.3263057326203518
Energy: 1.4617251016888178
Energy: 1.4679650005726168
Energy: 1.3236000241948804
Energy: 1.347724156494822
Energy: 1.3382759435023812
Energy: 1.486047705020349
Energy: 1.6748461321793997
Energy: 1.8094346640592904
Energy: 1.7964519346761605
Energy: 1.3544738228298103
Energy: 1.5866119117439677
Energy: 1.3511002999801325
Energy: 1.6782652387120973
Energy: 1.470544762245569
Energy: 1.6423143432569947
Energy: 1.4223527585174611
Energy: 1.5867877451573296
Energy: 1.281277761862224
Energy: 1.3261050857298016
Energy: 1.3354671401836877
Energy: 1.345248706523009
Energy: 1.464662703604776
Energy: 1.5170552995518352
Energy: 1.322736326527066
Energy: 1.3493934035457529
Energy: 1.3221181476199728
Energy: 1.3639026838995782
Energy: 1.5070039204472374
Energy: 1.5304918030915815
Energy: 1.4194707660009795
Energy: 1.361023979176289
Energy: 1.3256104938015958
Energy: 1.327525046054306
Energy: 1.5698489738787864
Energy: 1.5322554357763085
Energy: 1.6153404046190711
Energy: 1.3423238022656747
Energy: 1.3624183795570217
Energy: 1.4189723923085946
Energy: 1.6210215224163653
Energy: 1.5384164152971875
Energy: 1.5340141770098756
Energy: 1.2302275293332188
Energy: 1.471553986326481
Energy: 1.3257247344649488
Energy: 1.531206247893631
Energy: 1.6636698971809307
Energy: 1.733882511984464
Energy: 1.2279580012700233
Energy: 1.6328021866846991
Energy: 1.2430271174438805
Energy: 1.6018498008030857
Energy: 1.6375044496427102
Energy: 1.814014661879574
Energy: 1.2368938590862368
Energy: 1.2343621283924693
Energy: 1.3310050325413771
Energy: 1.765808395621882
Energy: 1.6390095300146157
Energy: 1.3363511150784506
Energy: 1.239833207548218
Energy: 1.2347500231692072
Energy: 1.2386662035616227
Energy: 1.5477440307440247
Energy: 1.6037743901248722
Energy: 1.2695578783061934
Energy: 1.232231168260564
Energy: 1.2236727403473957
Energy: 1.2468909066409337
Energy: 1.67691621402345
Energy: 1.5299628396874392
Energy: 1.6358979883498526
Energy: 1.25301412334121
Energy: 1.2320392613839193
Energy: 1.2602662544448062
Energy: 1.6209871918821896
Energy: 1.6498557684417827
Energy: 1.4574617569400736
Energy: 1.4586544619799062
Energy: 1.3659777455014706
Energy: 1.6375980248005406
Energy: 1.5320523237720136
Energy: 1.570084092250314
Energy: 1.5763650353865062
Energy: 1.4349759642412625
Energy: 1.8521691975272727
Energy: 1.7015248987495077
Energy: 1.5723855681587322
Energy: 1.536914212016374
Energy: 1.457422479079033
Energy: 1.3984783348421441
Energy: 1.4899794404214062
Energy: 1.46178376938952
Energy: 1.5315774271046327
Energy: 1.4178796718359494
Energy: 1.5687417709785074
Energy: 1.342226028101379
Energy: 1.340955120180226
Energy: 1.4750670756985595
Energy: 1.6148708709787118
Energy: 1.5396946762553048
Energy: 1.3530696594612426
Energy: 1.3494494230359277
Energy: 1.3499136579687632
Energy: 1.3647695409349518
Energy: 1.5309431408976446
Energy: 1.4681574685363965
Energy: 1.3793197704096225
Energy: 1.3362627833210994
Energy: 1.33719481344615
Energy: 1.3895157429399176
Energy: 1.6310061507439757
Energy: 1.6583816763406611
Energy: 1.7995742278308073
Energy: 1.349804221613865
Energy: 1.3425255767044706
Energy: 1.4998420061783186
Energy: 1.8077678346227115
Energy: 1.4684675380561898
Energy: 1.6597585296919124
Energy: 1.3261229737283087
Energy: 1.4922268699060068
Energy: 1.3755460911296933
Energy: 1.671390802997078
Energy: 1.3349824546860407
Energy: 1.3505597261656084
Energy: 1.8459263530767933
Energy: 1.6360570248925963
Energy: 1.2683627272614928
Energy: 1.3348017757840498
Energy: 1.3237078448902462
Energy: 1.3526912201104828
Energy: 1.3247865048286056
Energy: 1.5605272157866517
Energy: 1.3573390972432873
Energy: 1.3480118281691096
Energy: 1.323017680714581
Energy: 1.325675499541928
Energy: 1.3506909203374697
Energy: 1.5320845235366372
Energy: 1.3427916286612476
Energy: 1.3537888953708248
Energy: 1.3368455619196742
Energy: 1.35630403897749
Energy: 1.6178821069122573
Energy: 1.627557612500225
Energy: 1.6172085189560303
Energy: 1.3356759157954723
Energy: 1.5383839719093997
Energy: 1.4114657547109553
Energy: 1.5319343428430399
Energy: 1.5324375438343913
Energy: 1.5315578496850255
Energy: 1.3200572125487804
Energy: 1.5117307185424889
Energy: 1.2469813706877766
Energy: 1.602151944444107
Energy: 1.6636231300479312
Energy: 1.7289247692362835
Energy: 1.3425916710922263
Energy: 1.3717111534016946
Energy: 1.4889155067263753
Energy: 1.6200803714143763
Energy: 1.6373033298481219
Energy: 1.6162153014904623
Energy: 1.3324951592273342
Energy: 1.2277635904427324
Energy: 1.2489411289668906
Energy: 1.4183368552775952
Energy: 1.6364455728506146
Energy: 1.3381265469168888
Energy: 1.2380210851456597
Energy: 1.2253607344258088
Energy: 1.2316083839506797
Energy: 1.2295014722070283
Energy: 1.603727619847563
Energy: 1.240570324642223
Energy: 1.2268737223670418
Energy: 1.2285073716378623
Energy: 1.2626712665949331
Energy: 1.5717775733251549
Energy: 1.559817957745847
Energy: 1.3551083705678073
Energy: 1.2441828926294887
Energy: 1.3687297689589673
Energy: 1.6359325527388173
Energy: 1.622644298506758
Energy: 1.6652960347087091
Energy: 1.4589905278299797
Energy: 1.3514580169651331
Energy: 1.5736613271768907
Energy: 1.379147121148936
Energy: 1.6248736002162214
Energy: 1.6583799670222081
Energy: 1.7012089617631312
Energy: 1.8523390988077337

minimum gb energy = 1.2236727403473957 eV
minimum distance =  2.22137613425215 Angstroms
sigma value = 41


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

Energy: 1.8886949243768254
Energy: 1.7456729950065564
Energy: 1.3265587441341198
Energy: 1.3363992959965008
Energy: 1.3241476443555455
Energy: 1.7334735098485545
Energy: 1.3180202440908944
Energy: 1.093619929927389
Energy: 1.0951355693761724
Energy: 1.3713018790204248
Energy: 1.09039772466608
Energy: 1.3488154224683213
Energy: 1.3225550222350482
Energy: 1.0899203433617948
Energy: 1.0906800896146491
Energy: 1.0397491949557094
Energy: 1.0934295873435809
Energy: 1.3587106612029682
Energy: 1.3755949929288538
Energy: 1.412931819242575
Energy: 1.0953463601472275
Energy: 1.3259788866176687
Energy: 1.0950341780767612
Energy: 1.4024251647443262
Energy: 1.323533241308768
Energy: 1.365561749040024
Energy: 1.4620766356072992
Energy: 1.3245254999320424
Energy: 1.4492524639592093
Energy: 1.3376662427368142
Energy: 1.3235549402269469
Energy: 1.335281713235169
Energy: 1.7115349917250988
Energy: 1.3906342688317923
Energy: 1.7088764336372464
Energy: 1.33576729977491
Energy: 1.6122259422574063
Energy: 1.412270282077554
Energy: 1.0908489634404803
Energy: 1.3189451312979577
Energy: 1.4412638812992256
Energy: 1.6862726087869024
Energy: 1.6409718394494712
Energy: 1.4094050781927596
Energy: 1.3471889221371205
Energy: 1.3207572146138884
Energy: 1.1010214562782477
Energy: 1.7439304209600546
Energy: 1.3203416453457948
Energy: 1.09982828335123
Energy: 1.0897130897880414
Energy: 1.0390052737137554
Energy: 1.096852648750675
Energy: 1.3439023850162717
Energy: 1.3301078933947088
Energy: 1.097943763027316
Energy: 1.089373282499303
Energy: 1.3705059740776542
Energy: 1.0976307839328514
Energy: 1.3466297130155207
Energy: 1.3270433216333708
Energy: 1.4127001245600743
Energy: 1.0899412331391474
Energy: 1.3238704532956669
Energy: 1.4046213379072223
Energy: 1.4023867113467452
Energy: 1.3200063885767304
Energy: 1.3442381259705827
Energy: 1.1011601665269275
Energy: 1.326026261103946
Energy: 1.0936012455257655
Energy: 1.3326259239366152
Energy: 1.315262020358331
Energy: 1.3403995614391493
Energy: 1.0996761584638615
Energy: 1.379009130938098
Energy: 1.0960563053412702
Energy: 1.3440622775250755
Energy: 1.654789906659482
Energy: 1.418201922725487
Energy: 1.3392640321764484
Energy: 1.322222384148771
Energy: 1.343870503051545
Energy: 1.7359069114263563

minimum gb energy = 1.0390052737137554 eV
minimum distance =  2.22146703500738 Angstroms
sigma value = 11


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

Energy: 1.7818694428278803
Energy: 1.5498535348223919
Energy: 1.4746989758436677
Energy: 1.4691461998106041
Energy: 1.4375549066170445
Energy: 1.9011667327410864
Energy: 1.2685777097787723
Energy: 1.4724139665974678
Energy: 1.4287687774393423
Energy: 1.4804342040818022
Energy: 1.3811366095710835
Energy: 1.2937615020048496
Energy: 1.2707013173426993
Energy: 1.2795525818211193
Energy: 1.430537517135259
Energy: 1.5513002792458044
Energy: 1.4312617749848282
Energy: 1.2729304036407132
Energy: 1.2679301933729579
Energy: 1.2760277382926106
Energy: 1.2785674872617516
Energy: 1.5317895225182323
Energy: 1.280749675954934
Energy: 1.282137847576807
Energy: 1.2666791430008941
Energy: 1.2945041248961835
Energy: 1.2823943872557537
Energy: 1.5299389814861906
Energy: 1.279100126670548
Energy: 1.274696029394607
Energy: 1.2679459626550282
Energy: 1.2811114223740814
Energy: 1.7290235460841792
Energy: 1.6226065586228335
Energy: 1.730873405174529
Energy: 1.2688385654250804
Energy: 1.3673435831019853
Energy: 1.3796336434843464
Energy: 1.5529566439735416
Energy: 1.54976202852124
Energy: 1.6050146225353432
Energy: 1.4226477048096493
Energy: 1.627940421526438
Energy: 1.415553339838028
Energy: 1.4390182126495856
Energy: 1.4388688072869626
Energy: 1.4389878144937116
Energy: 1.7225482271387655
Energy: 1.2712679702422471
Energy: 1.2798705253087272
Energy: 1.4268810500824074
Energy: 1.7454688086756303
Energy: 1.3826768618316845
Energy: 1.268555200242754
Energy: 1.3656160145429137
Energy: 1.3833151886930606
Energy: 1.3802098543376222
Energy: 1.7454433643651077
Energy: 1.386156026997183
Energy: 1.372760825683892
Energy: 1.3804366250991296
Energy: 1.4139275902902775
Energy: 1.3089596838091786
Energy: 1.4167727637890826
Energy: 1.3881784215105404
Energy: 1.4133048840551627
Energy: 1.379869394222362
Energy: 1.3080615216229965
Energy: 1.413142549662539
Energy: 1.3805069717208125
Energy: 1.3884424980744627
Energy: 1.4339727380701381
Energy: 1.4232181456060795
Energy: 1.4157164693782058
Energy: 1.3991854021504573
Energy: 1.376619538647967
Energy: 1.4134827293781276
Energy: 1.415836430235267
Energy: 1.6075978203486896
Energy: 1.3911011528801809
Energy: 1.3864800137505537
Energy: 1.2623788761386787
Energy: 1.394471418982223
Energy: 1.3808704443248143
Energy: 1.5149503833267324
Energy: 1.380673425881728
Energy: 1.2846968736728717
Energy: 1.267149656409235
Energy: 1.4597235262128094
Energy: 1.580386925807234
Energy: 1.4395821131483881
Energy: 1.4471077782442503
Energy: 1.47439142268331
Energy: 1.8970277415358403
Energy: 1.535167261348261
Energy: 1.4394753090103765
Energy: 1.5287960113633143
Energy: 1.4253315908915207
Energy: 1.4650467604342385
Energy: 1.2546396748932886
Energy: 1.46821943265223
Energy: 1.5236039302563067
Energy: 1.4723198575304435
Energy: 1.4316891858447345
Energy: 1.273726590912368
Energy: 1.2787642986980428
Energy: 1.2776880299953697
Energy: 1.5488157468553307
Energy: 1.5278749088012014
Energy: 1.2846805397814791
Energy: 1.2839952836632733
Energy: 1.2672545594382458
Energy: 1.2802656015154974
Energy: 1.453095951038489
Energy: 1.480375021866255
Energy: 1.278985018102751
Energy: 1.2824167610318005
Energy: 1.2701909774170212
Energy: 1.2860055922681575
Energy: 1.380832361507012
Energy: 1.6238271086921081
Energy: 1.7283747979262842
Energy: 1.2728664108943566
Energy: 1.2688944557688213
Energy: 1.2774470725892966
Energy: 1.731644796542514
Energy: 1.5158038560872655
Energy: 1.5810931672825963
Energy: 1.3812803880530913
Energy: 1.4243768202371991
Energy: 1.3806095275510493
Energy: 1.5228104381092882
Energy: 1.4375965152268937
Energy: 1.4386727255068092
Energy: 1.7240489268453008
Energy: 1.6144783681015022
Energy: 1.5385903247716852
Energy: 1.44116383895367
Energy: 1.4709014419016218
Energy: 1.3821036947843928
Energy: 1.2743049895368113
Energy: 1.278330352178017
Energy: 1.3822641747268964
Energy: 1.2720596268967266
Energy: 1.7442848218807336
Energy: 1.3822123593763702
Energy: 1.3712514506102074
Energy: 1.3671717394936496
Energy: 1.3817572709308288
Energy: 1.2725958406393543
Energy: 1.366717123865473
Energy: 1.390541454001731
Energy: 1.4141200835643584
Energy: 1.3817102407694846
Energy: 1.4138890049201025
Energy: 1.4189326597898635
Energy: 1.3775890309083412
Energy: 1.4405187518895224
Energy: 1.3798582528037686
Energy: 1.381925196663936
Energy: 1.3092985552775438
Energy: 1.412097564055504
Energy: 1.377388548092396
Energy: 1.4139693651976075
Energy: 1.3078939941124663
Energy: 1.4167213106627101
Energy: 1.4226792164274509
Energy: 1.431787070883394
Energy: 1.3675099605333183
Energy: 1.380738533739816
Energy: 1.383294399633424
Energy: 1.6261655184053236
Energy: 1.3816860907078707
Energy: 1.3728426966839749
Energy: 1.2664006316520287
Energy: 1.4316376554096897
Energy: 1.426770636216779
Energy: 1.6414565629512718
Energy: 1.384200001944988
Energy: 1.2782275656890014
Energy: 1.6843174194612454
Energy: 1.602351934648536
Energy: 1.4402596371929577
Energy: 1.5558896795300114
Energy: 1.4211868296825783
Energy: 1.4746264328323124

minimum gb energy = 1.2546396748932886 eV
minimum distance =  2.196918953181 Angstroms
sigma value = 57


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

Energy: 2.1981768303249334
Energy: 1.8662010401580897
Energy: 1.4571792119052727
Energy: 1.4464442879956647
Energy: 1.5381473761473776
Energy: 1.9235199051455794
Energy: 1.3882726450881926
Energy: 1.3651076086033602
Energy: 1.3638181734813848
Energy: 1.3177590471081548
Energy: 1.3776334079109136
Energy: 1.3689875092390216
Energy: 1.3104791157124802
Energy: 1.328237849952255
Energy: 1.3439655461822098
Energy: 1.3295050732713791
Energy: 1.3454471808955586
Energy: 1.3485934548216707
Energy: 1.3155352755667091
Energy: 1.3473777686250015
Energy: 1.485848214545588
Energy: 1.3178960804891946
Energy: 1.3399705515036997
Energy: 1.3265687790072793
Energy: 1.3119203666224062
Energy: 1.3300319303392396
Energy: 1.3780486158885017
Energy: 1.3175217952058405
Energy: 1.3558157742716077
Energy: 1.32641400388973
Energy: 1.3163465340238876
Energy: 1.3469495404272815
Energy: 1.6305293387877706
Energy: 1.3165948235640004
Energy: 1.634738433359413
Energy: 1.3113031882843207
Energy: 1.3780654700206654
Energy: 1.3744947680367017
Energy: 1.3313610335952517
Energy: 1.3113134413096463
Energy: 1.3723501787971164
Energy: 1.343903398658051
Energy: 1.3115926444483244
Energy: 1.3440640002371003
Energy: 1.312117117705165
Energy: 1.3181941292979227
Energy: 1.320246232082714
Energy: 1.3622949350029134
Energy: 1.3164517821232848
Energy: 1.3323972024276314
Energy: 1.6651912920067942
Energy: 1.2981512708123728
Energy: 1.627802149107718
Energy: 1.3111877740316251
Energy: 1.310194040305344
Energy: 1.3372860897157026
Energy: 1.3280433559073699
Energy: 1.2987308947738663
Energy: 1.3745711486893972
Energy: 1.315033051451205
Energy: 1.298489153590967
Energy: 1.3435303053769454
Energy: 1.3659742504779364
Energy: 1.3171582640860766
Energy: 1.3603174177232413
Energy: 1.3464508776829283
Energy: 1.2980105630677747
Energy: 1.3768936615903757
Energy: 1.32782556588204
Energy: 1.3142305663144502
Energy: 1.3539228603224784
Energy: 1.3754907702121395
Energy: 1.3123028823018557
Energy: 1.3407471448915604
Energy: 1.3391207534380682
Energy: 1.3268393835444179
Energy: 1.3403583913649995
Energy: 1.3231384019472427
Energy: 1.3168550193261979
Energy: 1.3475850846679742
Energy: 1.313874792867249
Energy: 1.3135349303967778
Energy: 1.3612705212840583
Energy: 1.6286045918704952
Energy: 1.3164908486546294
Energy: 1.3785750710754185
Energy: 1.4844062048471378
Energy: 1.3168469776258078
Energy: 1.3637744621326793
Energy: 1.3133912589877523
Energy: 1.524776875561186
Energy: 1.3262274343017417
Energy: 1.3290565302081416
Energy: 1.6198477008600027
Energy: 1.330678988250919
Energy: 1.5389036205393871
Energy: 1.299327244480136
Energy: 1.3682841432299235
Energy: 1.3629184371135692
Energy: 1.3110980795540652
Energy: 1.377061276353415
Energy: 1.3213307429220698

minimum gb energy = 1.2980105630677747 eV
minimum distance =  2.23774503725725 Angstroms
sigma value = 9


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

Energy: 2.385331409746278
Energy: 1.4916574078657288
Energy: 1.4626506212446404
Energy: 1.4632383970861913
Energy: 1.4629336508902004
Energy: 2.0036538494449783
Energy: 1.3428410219002735
Energy: 1.4462713774562972
Energy: 1.4454305612043807
Energy: 1.3815053532827757
Energy: 1.5189156092085838
Energy: 1.4145014883721614
Energy: 1.3437402594150396
Energy: 1.3434630512018013
Energy: 1.4282172278088419
Energy: 1.4293058356858488
Energy: 1.4446055468913623
Energy: 1.3419840473336964
Energy: 1.3809240681348958
Energy: 1.4375559192510723
Energy: 1.371007336175134
Energy: 1.3481895875124668
Energy: 1.4329334176233766
Energy: 1.3677906325647153
Energy: 1.3699437644261339
Energy: 1.3837041750735162
Energy: 1.3707852484926517
Energy: 1.371559998791849
Energy: 1.3676040967978442
Energy: 1.3838873759633912
Energy: 1.3490681210688313
Energy: 1.369103341603154
Energy: 1.383754295753746
Energy: 1.3752479074790198
Energy: 1.3974026444768988
Energy: 1.3660807593804765
Energy: 1.378974830036922
Energy: 1.4481897161056594
Energy: 1.3675875499775554
Energy: 1.3783604743473896
Energy: 1.368501154905284
Energy: 1.4082592514890708
Energy: 1.3794275762197026
Energy: 1.499400595901101
Energy: 1.342962800645164
Energy: 1.3422295412970815
Energy: 1.3425796553948675
Energy: 1.5043201484299085
Energy: 1.3487277809900806
Energy: 1.3712735200075623
Energy: 1.5024899169534394
Energy: 1.3777531158130107
Energy: 1.495961296351949
Energy: 1.3511913449591033
Energy: 1.3426861612534797
Energy: 1.3438556800586299
Energy: 1.5027445618696547
Energy: 1.3782761529458922
Energy: 1.4966538594958303
Energy: 1.4159171401495245
Energy: 1.3382658424744176
Energy: 1.499461247018466
Energy: 1.3538313329478187
Energy: 1.3424597585714058
Energy: 1.3614151737576725
Energy: 1.426986735386735
Energy: 1.3396633186768212
Energy: 1.5029842789311265
Energy: 1.3712760202925205
Energy: 1.3902401946071894
Energy: 1.3957300112499282
Energy: 1.4255445554574664
Energy: 1.3416792166337823
Energy: 1.3424625394570007
Energy: 1.5039364792093988
Energy: 1.3982480586781767
Energy: 1.4511157745915713
Energy: 1.3431337867827489
Energy: 1.3420674450564969
Energy: 1.3696550395826068
Energy: 1.4533452425197821
Energy: 1.3906470718081105
Energy: 1.4612833986346105
Energy: 1.381469839802966
Energy: 1.3694961771708318
Energy: 1.3860229053408093
Energy: 1.3649180040714974
Energy: 1.3478584274904812
Energy: 1.3665039150293008
Energy: 1.3855964843951794
Energy: 1.3694157133948375
Energy: 1.3691596057806892
Energy: 1.381339787953479
Energy: 1.3841986102710957
Energy: 1.3928912048533524
Energy: 1.3676836230950358
Energy: 1.3499151034463424
Energy: 1.408562126387163
Energy: 1.3675651800401427
Energy: 1.3663618921621776
Energy: 1.4441150892326855
Energy: 1.4167594204471903
Energy: 1.3828874549262409
Energy: 1.4564655103631567
Energy: 1.3434459281669697
Energy: 1.3424407207565252
Energy: 1.3465641486686304
Energy: 1.729504940427238
Energy: 1.3875106080475232
Energy: 1.4042071159367626
Energy: 1.48305621987673
Energy: 1.3480755330139813
Energy: 1.516486081813144
Energy: 1.3697481057834824
Energy: 1.349088522481609
Energy: 1.3496150462316656
Energy: 1.4090524021186877
Energy: 1.714477123100757
Energy: 1.3552306191099786
Energy: 1.3495511143174765
Energy: 1.3385215098373362
Energy: 1.5109509484459527
Energy: 1.368339057772833
Energy: 1.3432361349590691
Energy: 1.4474508962500183
Energy: 1.369675818921658

minimum gb energy = 1.3382658424744176 eV
minimum distance =  2.23576304574362 Angstroms
sigma value = 27


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

Energy: 1.618026789750117
Energy: 1.478694301493416
Energy: 1.4770062233658472
Energy: 1.4746724811476581
Energy: 1.4767443146301322
Energy: 1.7740919433233708
Energy: 1.3584736030420956
Energy: 1.5104653847846248
Energy: 1.3798285919482352
Energy: 1.3701442350475492
Energy: 1.5837021521827641
Energy: 1.4259344063871218
Energy: 1.3580102698793455
Energy: 1.3673817215529471
Energy: 1.5677512360533465
Energy: 1.6376210750778484
Energy: 1.4614304071524804
Energy: 1.3654731667849176
Energy: 1.359511697545442
Energy: 1.4920447701853412
Energy: 1.5112785770129846
Energy: 1.3710742382048953
Energy: 1.4968884792153745
Energy: 1.3650162519801419
Energy: 1.3681044828575228
Energy: 1.4624746729269291
Energy: 1.3804805539658604
Energy: 1.3914641293895895
Energy: 1.3815818239781912
Energy: 1.451841932127045
Energy: 1.3476235931762865
Energy: 1.4955859291849265
Energy: 1.4025793928681538
Energy: 1.3807835578201537
Energy: 1.4045782226471888
Energy: 1.3464981672904155
Energy: 1.362488652651345
Energy: 1.4302936310520797
Energy: 1.3859339138062328
Energy: 1.3867529641097398
Energy: 1.3845611081800282
Energy: 1.4574685575983395
Energy: 1.3631302179300202
Energy: 1.4562891695171936
Energy: 1.4662009240015443
Energy: 1.3681291325796987
Energy: 1.4059077357371046
Energy: 1.4576603324812076
Energy: 1.345465562904841
Energy: 1.3609247385542378
Energy: 1.5120578460177034
Energy: 1.3684949147868992
Energy: 1.5035437682857709
Energy: 1.3609454617246024
Energy: 1.3310869377221684
Energy: 1.4120360925852098
Energy: 1.5195677540884514
Energy: 1.3701939478713725
Energy: 1.519758694543264
Energy: 1.414843327147885
Energy: 1.3616381809174154
Energy: 1.4956758044362437
Energy: 1.4068592175370016
Energy: 1.3867378110093305
Energy: 1.3602906214696036
Energy: 1.8147283996328547
Energy: 1.3612403149814776
Energy: 1.499726538876727
Energy: 1.3503632314228504
Energy: 1.344909646246461
Energy: 1.454563698560294
Energy: 1.5031701785810738
Energy: 1.3314388805405253
Energy: 1.3345299222653155
Energy: 1.4951719411512534
Energy: 1.3154347696187816
Energy: 1.315612797428469
Energy: 1.3343267476121785
Energy: 1.3346659911095802
Energy: 1.329975826626953
Energy: 1.4947485478672884
Energy: 1.3442809055098455
Energy: 1.4984391003926818
Energy: 1.3510515370227378
Energy: 1.4062168472256362
Energy: 1.4926785519985943
Energy: 1.3556940791754866
Energy: 1.3418482140816541
Energy: 1.3525956332238092
Energy: 1.5697503619019881
Energy: 1.347625392975116
Energy: 1.458078419352734
Energy: 1.3569708597404353
Energy: 1.436984728866283
Energy: 1.4355721797725134
Energy: 1.3882249939454891
Energy: 1.3308263128332112
Energy: 1.427580449753046
Energy: 1.4813006154958843
Energy: 1.3885622297430489
Energy: 1.3429660832582846
Energy: 1.4273486779847862
Energy: 1.3767521963406117
Energy: 1.3744341584110509
Energy: 1.5363839799962193
Energy: 1.3698151814195345
Energy: 1.4013605803109208
Energy: 1.3759146020985908
Energy: 1.3762302013572378
Energy: 1.3879396165792888
Energy: 1.4858961501375325
Energy: 1.3661145759361852
Energy: 1.4574551463158523
Energy: 1.387201633551101
Energy: 1.3828126003609436
Energy: 1.4211366947417325
Energy: 1.45699865436621
Energy: 1.458636309718043
Energy: 1.4592288675735952
Energy: 1.4652883446465217
Energy: 1.3641357154986566
Energy: 1.4957248324076082
Energy: 1.3701108381561078
Energy: 1.367356057421959
Energy: 1.4971879067814933
Energy: 1.4554902560696532
Energy: 1.3556384363879785
Energy: 1.4662332645102374
Energy: 1.3713832096425171
Energy: 1.3640046879620857
Energy: 1.4678997225765111
Energy: 1.7787302915835517
Energy: 1.364847110786926
Energy: 1.3683662408743025
Energy: 1.5846787632639179
Energy: 1.3608069986100013
Energy: 1.5945955842963146
Energy: 1.3664987897052232
Energy: 1.3577075674596681
Energy: 1.3962625919649736
Energy: 1.5532282181995811
Energy: 1.3618149371440575
Energy: 1.398241532234083
Energy: 1.3559990107272597
Energy: 1.3583238262082573
Energy: 1.5813154821746735
Energy: 1.4593646896082502
Energy: 1.448553037803466
Energy: 1.3870736810914077
Energy: 1.5860526015049894

minimum gb energy = 1.3154347696187816 eV
minimum distance =  2.22235623844264 Angstroms
sigma value = 19


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

Energy: 1.582503908813939
Energy: 1.3664067103369775
Energy: 1.3662560782302557
Energy: 1.365210813343634
Energy: 1.3663568011362448
Energy: 1.289830595569309
Energy: 1.2776616124097813
Energy: 1.4328530039680187
Energy: 1.3373200138451098
Energy: 1.2829697672215108
Energy: 1.592712127551491
Energy: 1.3354583244588216
Energy: 1.271025719192369
Energy: 1.3205083204950747
Energy: 1.5215131955025483
Energy: 1.5295382984672956
Energy: 1.3205964017875316
Energy: 1.3223875039634587
Energy: 1.2750601565195894
Energy: 1.4986108460738816
Energy: 1.3825693649510566
Energy: 1.283036446670177
Energy: 1.4470943962478342
Energy: 1.3233821551594118
Energy: 1.2564393643672602
Energy: 1.3842095835973922
Energy: 1.3267082617775328
Energy: 1.3225668906927832
Energy: 1.3269406882829535
Energy: 1.4556799835053618
Energy: 1.2747049564664343
Energy: 1.3850068473428268
Energy: 1.3694321584457463
Energy: 1.2753853726939723
Energy: 1.3695477715880537
Energy: 1.274665096735552
Energy: 1.2831339747453383
Energy: 1.3335117432327326
Energy: 1.3343325802145907
Energy: 1.3358729376642788
Energy: 1.3332494403584014
Energy: 1.3341123188825919
Energy: 1.2828453657573196
Energy: 1.3346346146104333
Energy: 1.4653503022101673
Energy: 1.2749700489879812
Energy: 1.3347456512213285
Energy: 1.3346421380824407
Energy: 1.2791168616855877
Energy: 1.326723295451097
Energy: 1.3848580828597095
Energy: 1.2754751737810484
Energy: 1.326480487962498
Energy: 1.3270662807379974
Energy: 1.2832194553519771
Energy: 1.401391014348834
Energy: 1.447888493406836
Energy: 1.27461933129881
Energy: 1.4469558386719343
Energy: 1.3341930156114175
Energy: 1.2665725916688102
Energy: 1.3212138501467314
Energy: 1.321736404345175
Energy: 1.3227663958520357
Energy: 1.3249568517068515
Energy: 1.498886518435454
Energy: 1.2834799202120932
Energy: 1.6029040070121718
Energy: 1.3957766571188444
Energy: 1.2719201938918139
Energy: 1.3357630367570084
Energy: 1.594214330942288
Energy: 1.2827894605574002
Energy: 1.2841882660372002
Energy: 1.4244281591429946
Energy: 1.2773442498418692
Energy: 1.3329810089538754
Energy: 1.2850923504185954
Energy: 1.2762813576273164
Energy: 1.3374515583425255
Energy: 1.5917624681784708
Energy: 1.2787084875611998
Energy: 1.4392365116040824
Energy: 1.3455492383973722
Energy: 1.273682642174427
Energy: 1.3331288774687426
Energy: 1.3669876218430352
Energy: 1.3644968796586447
Energy: 1.3642556480156656
Energy: 1.5235207693895794
Energy: 1.2564461806942904
Energy: 1.6023287111103184
Energy: 1.335850191791751
Energy: 1.2829954175722227
Energy: 1.3348125969228437
Energy: 1.5239521384128334
Energy: 1.2713369422856233
Energy: 1.3220748641907745
Energy: 1.526730309885892
Energy: 1.53847180027454
Energy: 1.4371494329821457
Energy: 1.3212979300967218
Energy: 1.274698573615105
Energy: 1.32159033224993
Energy: 1.4991573530621487
Energy: 1.2809143729840646
Energy: 1.5375730880864553
Energy: 1.323365456102807
Energy: 1.256676619562474
Energy: 1.3837799253178769
Energy: 1.400633919687785
Energy: 1.2841058296606283
Energy: 1.327005728927374
Energy: 1.4532570895081989
Energy: 1.2752571138898479
Energy: 1.3691900296154795
Energy: 1.326442695109964
Energy: 1.2852562172584718
Energy: 1.3690834188680978
Energy: 1.3691056341661605
Energy: 1.2742523578492382
Energy: 1.4537095141428305
Energy: 1.3347027547381267
Energy: 1.3364181178782588
Energy: 1.333041664299054
Energy: 1.3791850291529761
Energy: 1.283239216208328
Energy: 1.3339603209978352
Energy: 1.3784541056948432
Energy: 1.2744088034294951
Energy: 1.3795797464775192
Energy: 1.3342165307498597
Energy: 1.2736147259737705
Energy: 1.3266679546603755
Energy: 1.3280629607863117
Energy: 1.2747551825840278
Energy: 1.3690479281295946
Energy: 1.3264448819727441
Energy: 1.282603379082038
Energy: 1.4012220222019711
Energy: 1.448612284688364
Energy: 1.2747958670704398
Energy: 1.4472220379989158
Energy: 1.401647671096029
Energy: 1.2834355841453444
Energy: 1.49932191428543
Energy: 1.3230165057745786
Energy: 1.274813506435405
Energy: 1.3213833013897738
Energy: 1.4987631012870295
Energy: 1.2668745387912361
Energy: 1.4327827429385385
Energy: 1.3223134318984597
Energy: 1.2725712728533936
Energy: 1.3215181611733455
Energy: 1.6058451057970087
Energy: 1.2834517393074152
Energy: 1.3354776587617092
Energy: 1.6019187381245474
Energy: 1.3090350793917358
Energy: 1.4399649996213408
Energy: 1.2832278260935006
Energy: 1.2710702805011325
Energy: 1.3452895462239178
Energy: 1.4242721555571696
Energy: 1.2775990574234188
Energy: 1.3336505662666192
Energy: 1.2736853266335433
Energy: 1.2740167306060746
Energy: 1.6063635950406094
Energy: 1.395786729767182
Energy: 1.3642639902578901
Energy: 1.3969014030550186
Energy: 1.5224253770359375

minimum gb energy = 1.2564393643672602 eV
minimum distance =  2.22700321920909 Angstroms
sigma value = 101


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

Energy: 1.4618613178545206
Energy: 1.304821942251786
Energy: 1.3039302073944525
Energy: 1.3301464576850661
Energy: 1.3267696791665275
Energy: 1.5682048582999963
Energy: 1.2140380696297564
Energy: 1.4169909481664833
Energy: 1.2119773607025264
Energy: 1.2389938450454938
Energy: 1.5994493627297497
Energy: 1.2105861409955636
Energy: 1.2217304766650878
Energy: 1.2333338001643424
Energy: 1.5415919959918942
Energy: 1.5425282706206795
Energy: 1.2963733196406761
Energy: 1.2225617475781474
Energy: 1.2337715641651306
Energy: 1.550003273993251
Energy: 1.37764774777849
Energy: 1.2117385505872875
Energy: 1.4573358970775956
Energy: 1.31634895960783
Energy: 1.2067650655745485
Energy: 1.3816628002520301
Energy: 1.3069003462031015
Energy: 1.2169339086120474
Energy: 1.3081281959560602
Energy: 1.377928468819652
Energy: 1.2334974112498285
Energy: 1.3362274055067758
Energy: 1.3092649549505029
Energy: 1.2107579965809359
Energy: 1.3078366390115146
Energy: 1.2370905138176982
Energy: 1.2337423660841798
Energy: 1.2839757550183648
Energy: 1.3362437107473817
Energy: 1.3429487541169218
Energy: 1.3534829658150382
Energy: 1.2836951850040084
Energy: 1.2212594259571758
Energy: 1.285263874105265
Energy: 1.2106291232299684
Energy: 1.211618139295846
Energy: 1.2848946384985427
Energy: 1.2840672030855214
Energy: 1.2520949922771247
Energy: 1.285324753967942
Energy: 1.3357437484916233
Energy: 1.2388734528915366
Energy: 1.3025276309289746
Energy: 1.2839802129468563
Energy: 1.2339252357849444
Energy: 1.4037601267132638
Energy: 1.3359897994300163
Energy: 1.2123989235374868
Energy: 1.3360133851525786
Energy: 1.3121427943610313
Energy: 1.2326260160751956
Energy: 1.3046657370601373
Energy: 1.2478156658831225
Energy: 1.2459333566643265
Energy: 1.3083504379515696
Energy: 1.4621542497079087
Energy: 1.2335816047724406
Energy: 1.4569311333123132
Energy: 1.4476210811905774
Energy: 1.2149476153539065
Energy: 1.4500290345482618
Energy: 1.4607731599359122
Energy: 1.2348235080945316
Energy: 1.3019767749521103
Energy: 1.2949039672594387
Energy: 1.2309034168172048
Energy: 1.3018498780191452
Energy: 1.235310660297089
Energy: 1.2145950486216888
Energy: 1.3098401736391323
Energy: 1.602958655089508
Energy: 1.2299729449571815
Energy: 1.6147609016167501
Energy: 1.3775472926705536
Energy: 1.2362349555333652
Energy: 1.2112327311778155
Energy: 1.2130262261557268
Energy: 1.23873924491665
Energy: 1.2126880649851388
Energy: 1.4134510511718184
Energy: 1.2436747703389242
Energy: 1.5996038282005205
Energy: 1.3730988077275605
Energy: 1.213781242125711
Energy: 1.399070137558956
Energy: 1.2767261520619968
Energy: 1.304813753406033
Energy: 1.2158318429861796
Energy: 1.2531389833727085
Energy: 1.5396260727025068
Energy: 1.2167510409817832
Energy: 1.2195055427830594
Energy: 1.238444593155878
Energy: 1.4026132870981074
Energy: 1.5990055864380495
Energy: 1.2092474680716079
Energy: 1.614147611468692
Energy: 1.2121688199135803
Energy: 1.251662673152192
Energy: 1.489849783687379
Energy: 1.2792242983559918
Energy: 1.219680610131477
Energy: 1.279420858042471
Energy: 1.5436079666896585
Energy: 1.2527590259821724
Energy: 1.51857023916611
Energy: 1.304038018910891
Energy: 1.2339435365682028
Energy: 1.2315851274978908
Energy: 1.378092862851998
Energy: 1.2107055552349169
Energy: 1.3780016749717858
Energy: 1.4631469057517612
Energy: 1.3767350152801838
Energy: 1.4465199716691732
Energy: 1.3715386850701445
Energy: 1.2118708917907641
Energy: 1.3089071447371716
Energy: 1.364688720772157
Energy: 1.2332145530216807
Energy: 1.3082959305764807
Energy: 1.2465891689377644
Energy: 1.2390787533486922
Energy: 1.3354419764652707
Energy: 1.3487631352708078
Energy: 1.2211695871035426
Energy: 1.3491814447434733
Energy: 1.34184288457643
Energy: 1.2124317284828
Energy: 1.3043335275651076
Energy: 1.2835141437200743
Energy: 1.2351935250769008
Energy: 1.2850237758575733
Energy: 1.3278165052815516
Energy: 1.2113223887276132
Energy: 1.3038134499519913
Energy: 1.2836575393802114
Energy: 1.284701344440121
Energy: 1.2835412981952963
Energy: 1.3046389629754054
Energy: 1.23851715376679
Energy: 1.3354337918272559
Energy: 1.4032558955153391
Energy: 1.2351530626066023
Energy: 1.4113716971610062
Energy: 1.3375076564380965
Energy: 1.2115508992557185
Energy: 1.3083713506406256
Energy: 1.3090180736821502
Energy: 1.2330305448213232
Energy: 1.3089982905622888
Energy: 1.2471382361812955
Energy: 1.2461333280283093
Energy: 1.3084288450266615
Energy: 1.4596299531576094
Energy: 1.2337981391684192
Energy: 1.459470500639883
Energy: 1.2482239469153116
Energy: 1.2300557194097703
Energy: 1.5177139248083278
Energy: 1.302059557797929
Energy: 1.2351452623863204
Energy: 1.2316403400031322
Energy: 1.517054759417563
Energy: 1.2301802928173058
Energy: 1.30266387864398
Energy: 1.21551938264206
Energy: 1.2155781098972347
Energy: 1.2785612731826839
Energy: 1.6116989072850754
Energy: 1.2389373694045058
Energy: 1.211194587988378
Energy: 1.616459521220677
Energy: 1.2426009916618428
Energy: 1.211600078870948
Energy: 1.2120794551494962
Energy: 1.2145464616446473
Energy: 1.3094186374907484
Energy: 1.6118421570804622
Energy: 1.2430423513559454
Energy: 1.2114391320194393
Energy: 1.2146735505581086
Energy: 1.2590913958005487
Energy: 1.2111114421150166
Energy: 1.2798400880941774
Energy: 1.3045589202447627
Energy: 1.2793844498778535
Energy: 1.5396203833504305

minimum gb energy = 1.2067650655745485 eV
minimum distance =  2.22377976379739 Angstroms
sigma value = 33


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

Energy: 0.014416825927459222
Energy: 0.0940221443595563
Energy: 0.09047271704856674
Energy: 0.09021044918892429
Energy: 0.09191212425406516
Energy: 0.015111716278717156
Energy: 0.10389574444956881
Energy: 0.1048937497729611
Energy: 0.10475898239938491
Energy: 0.10596976822421181
Energy: 0.10394231675785863
Energy: 0.1053914392293057
Energy: 0.8613563733937887
Energy: 0.09389452064093015
Energy: 0.015065242055046458
Energy: 0.016569936072945348
Energy: 0.09184626576745068
Energy: 0.09013912454965031
Energy: 0.014551326668771597
Energy: 0.1048937497722897
Energy: 0.10475898239938491
Energy: 0.10596976822421181
Energy: 0.1039423167585695
Energy: 0.1053914392293057

minimum gb energy = 0.014416825927459222 eV
minimum distance =  2.44469979787339 Angstroms
sigma value = 1