Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073718130588532
cohesive_energy=3.2103875034027074
mass=26.981538
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=[7.900060612226219e-20, 1.9755158332546798e-19, 2.81648232667494e-19, 3.3075334432296e-19, 3.61697783832036e-19, 3.8538916971899394e-19, 4.0597553728925996e-19, 4.2372765439397995e-19, 4.388778366450839e-19, 4.517208845432279e-19, 4.62631707420768e-19, 4.72204712808918e-19, 4.806321619037579e-19, 4.87920463411824e-19, 4.941000586891619e-19, 4.99220615211426e-19, 5.0339428534299595e-19, 5.067284149183499e-19, 5.09314328005626e-19, 5.11243348672962e-19, 5.12645253227712e-19, 5.13596946148308e-19, 5.141448905571359e-19, 5.14321129986876e-19, 5.1413047096743e-19, 5.13504019903536e-19, 5.123424418438859e-19, 5.10538390954002e-19, 5.07885186448098e-19, 5.0092853550327e-19, 4.81194525902292e-19, 4.36404075922188e-19, 3.4933859327736e-19, 1.9428794952200999e-19, -6.95730783724794e-20, -5.08510035335358e-19, -1.2321779730272098e-18, -1.66527034984692e-18, -1.69127367661674e-18, -1.7257845613130999e-18, -1.77098196415824e-18, -1.8289647365427e-18, -1.90341788472468e-18, -1.9992921345032398e-18, -2.1247105214127597e-18, -2.2936600474680597e-18, -2.5266165300516598e-18, -2.8571455696458597e-18, -3.3338572053262196e-18, -4.03038747519138e-18, -5.0722829402815795e-18, -6.6741711824874596e-18, -9.263144427134399e-18, -1.382215406094774e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.143095413925774 eV

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

Energy: 0.009749743048925773
Energy: 55.326153832302076
Energy: 0.010048882143524845
Energy: 0.011187569945104774
Energy: 56.22708299538132
Energy: 0.009998842197472492
Energy: 55.326153832302076
Energy: 44.8958456724408
Energy: 48.46587175432698
Energy: 55.34055394077542
Energy: 42.32729207568995
Energy: 52.60667305580495
Energy: 0.010048882143524845
Energy: 48.46587175432698
Energy: 53.295301222598525
Energy: 0.011309307873996739
Energy: 45.035822248466
Energy: 54.49610180732681
Energy: 0.011187569945324289
Energy: 55.34055394077542
Energy: 0.01130930787953956
Energy: 0.009916811905406438
Energy: 55.540067329398
Energy: 0.010029371716520734
Energy: 56.22708299538109
Energy: 42.32729207568995
Energy: 45.03582224846576
Energy: 55.540067329398
Energy: 40.35589615234475
Energy: 48.15603261547286
Energy: 0.00999884219675906
Energy: 52.60667305580472
Energy: 54.49610180732656
Energy: 0.010029371716026818
Energy: 48.15603261547286
Energy: 0.010132934655493935

minimum gb energy = 0.009749743048925773 eV
minimum distance =  2.87439364673578 Angstroms
sigma value = 1


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

Energy: 0.5388314285190352
Energy: 30.658162995349187
Energy: 12.57961226071756
Energy: 0.34529800407428823
Energy: 27.48173975091831
Energy: 14.115938746826082
Energy: 30.628919562980407
Energy: 15.888624104735616
Energy: 21.536613033486727
Energy: 30.471159493635614
Energy: 0.3782148409995248
Energy: 24.86602477673037
Energy: 13.280086589725853
Energy: 16.254676250717058
Energy: 18.879514441621463
Energy: 13.102958214578171
Energy: 12.45406058752419
Energy: 23.83184803793746
Energy: 15.87679833355247
Energy: 24.099998096278917
Energy: 12.491403749259634
Energy: 15.748759716674819
Energy: 18.54459920862776
Energy: 13.89242847975459
Energy: 15.71698438499738
Energy: 0.3715320402523112
Energy: 0.3799416792258597
Energy: 15.475860005129592
Energy: 0.3712197989770611
Energy: 0.3800941883177014
Energy: 15.699938590008896
Energy: 0.37076856486827847
Energy: 0.37622474906741427
Energy: 15.532417907746053
Energy: 0.3707681438898012
Energy: 14.400895591859511
Energy: 15.65838953450682
Energy: 0.33752657529466096
Energy: 0.36898555091115326
Energy: 15.644862751760908
Energy: 0.3238824309395246
Energy: 14.410298578140003
Energy: 0.46789088681442115
Energy: 0.3776236549993583
Energy: 0.37723053965029085
Energy: 0.36128166606981554
Energy: 0.3787383443085804
Energy: 12.183516404379938
Energy: 0.4127297484745307
Energy: 12.690848889413807
Energy: 11.672240786051166
Energy: 0.3709005879835919
Energy: 13.089169923584553
Energy: 10.518776129049494
Energy: 0.4162732087552074
Energy: 19.178859273330996
Energy: 16.784681659584194
Energy: 0.3710702907234991
Energy: 20.171342303940765
Energy: 11.34169820326367
Energy: 18.231244641522018
Energy: 0.3508055994692578
Energy: 0.35357642962363667
Energy: 18.983149894282814
Energy: 12.368397014958019
Energy: 18.80987601687689
Energy: 0.3807145385263603
Energy: 22.704829500257777
Energy: 20.90430045925828
Energy: 0.3813959215440336
Energy: 16.431872843599383
Energy: 18.769214232890032
Energy: 0.3776012155566498
Energy: 29.62838487963006
Energy: 27.6143986914502
Energy: 0.377530319454855
Energy: 16.547635730169283
Energy: 24.600049074118715
Energy: 18.916036574649482
Energy: 0.35817604582041196
Energy: 0.3486187055382354
Energy: 25.46602628696637
Energy: 12.424142169627363
Energy: 18.798056194331792
Energy: 0.3931532475933768
Energy: 24.386990077246175
Energy: 19.150200042349155
Energy: 0.38592177681059714
Energy: 26.477444979737857
Energy: 17.25240922693747
Energy: 0.3927231374869392
Energy: 19.806732810698907
Energy: 17.8813884385427
Energy: 0.3728317814009314
Energy: 21.340747606409806
Energy: 15.490529926315784
Energy: 0.47111458525100025
Energy: 0.3677414042158595
Energy: 0.3708701967350457
Energy: 0.3480476732103389
Energy: 0.3609011135086399
Energy: 17.78792817847713
Energy: 9.978619967925734
Energy: 0.34524756542817675
Energy: 0.36218359535274564
Energy: 10.000254395707389
Energy: 0.3534508186310729
Energy: 10.085997596630088
Energy: 9.997114733223423
Energy: 0.3778059852316109
Energy: 0.3763477901152814
Energy: 9.998039235171545
Energy: 0.37861028984893413
Energy: 10.563834440240312
Energy: 10.858265680875435
Energy: 0.3775061523825648
Energy: 0.3761610212476267
Energy: 10.730685399482498
Energy: 0.3662505077602127
Energy: 0.37565361052506935
Energy: 15.887828854395291
Energy: 17.903285939451983
Energy: 12.673175249824096
Energy: 15.765750396113617
Energy: 11.55064799472525
Energy: 14.0362974798862
Energy: 13.411561580754924
Energy: 10.145294884861329
Energy: 11.77822212557296
Energy: 13.244447819040557
Energy: 9.016185161205073
Energy: 17.676962008562676
Energy: 23.753004215942564
Energy: 16.280403729970704
Energy: 20.843572660431498
Energy: 23.33184213163315
Energy: 0.37235418116098634
Energy: 23.62297584647843

minimum gb energy = 0.3238824309395246 eV
minimum distance =  1.20003316087596 Angstroms
sigma value = 33


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

Energy: 28.36635871629303
Energy: 26.19968834092727
Energy: 0.37397536379175433
Energy: 28.36779825656192
Energy: 24.572064719266095
Energy: 24.095172966998096
Energy: 31.61347884276553
Energy: 16.79426854013137
Energy: 19.689357786886138
Energy: 31.17129963480607
Energy: 14.956896878898911
Energy: 22.10014479629113
Energy: 0.46855218338692256
Energy: 25.12888972525719
Energy: 27.409808555904316
Energy: 0.37547599400483544
Energy: 21.692092422709816
Energy: 30.107395873222224
Energy: 0.46820251275223485
Energy: 30.21028194448897
Energy: 30.764560934571158
Energy: 0.3887490766460003
Energy: 27.315665528777323
Energy: 0.3776675287696578
Energy: 26.148788977136668
Energy: 0.38619974610008595
Energy: 0.38683837231963786
Energy: 26.04138056424319
Energy: 17.50341832675132
Energy: 0.38774005832855485
Energy: 27.545567353173556
Energy: 19.882626161352956
Energy: 0.3870992122674367
Energy: 27.579291453538175
Energy: 18.11553373652628
Energy: 0.3779212331597981
Energy: 27.797522395862767
Energy: 0.3920889312750504
Energy: 0.36513293003462755
Energy: 27.662014121497634
Energy: 0.36629814441399705
Energy: 0.36450138908867663
Energy: 14.72537561219275
Energy: 0.3896660028612042
Energy: 0.38847898197043534
Energy: 15.06463826196371
Energy: 0.38838634672933975
Energy: 0.38864021513543884
Energy: 14.242125113329667
Energy: 0.38987116008108114
Energy: 17.2598683942387
Energy: 14.439547600212922
Energy: 0.38774071465084065
Energy: 17.118933583205546
Energy: 0.40637314186280615
Energy: 23.24922678250272
Energy: 21.13329500267051
Energy: 0.3878985781270325
Energy: 24.531525229050978
Energy: 18.43852935462161
Energy: 18.968707135765097
Energy: 26.568551953498243
Energy: 24.798065428083675
Energy: 22.778512240625766
Energy: 27.926209379421778
Energy: 0.3571968256452524
Energy: 14.611954956742128
Energy: 0.37528710258039344
Energy: 27.624663913804177
Energy: 15.190353036344334
Energy: 0.36372859888103415
Energy: 22.20887061165899
Energy: 0.378664244127943
Energy: 31.02902572100175
Energy: 29.367895956483785
Energy: 0.3786192348638056
Energy: 31.132791270275998
Energy: 27.006982294727177
Energy: 26.04030932433302
Energy: 0.3782811759279477
Energy: 0.3829128254441278
Energy: 26.84907745705224
Energy: 0.3780366664216188
Energy: 0.38443277862329156
Energy: 0.4062649104297381
Energy: 26.851279533133372
Energy: 25.804346386501617
Energy: 0.38780966597605354
Energy: 27.3823117167127
Energy: 0.3875162686359048
Energy: 17.243588255402862
Energy: 0.3778956971593916
Energy: 0.37785945497181234
Energy: 17.556461633955312
Energy: 26.98670466612031
Energy: 0.3891865106160097
Energy: 0.4068463823126692
Energy: 27.395156842560723
Energy: 0.3778401348613481
Energy: 0.3845225175549623
Energy: 28.038775096172703
Energy: 0.36599129032702726
Energy: 0.4330229442275896
Energy: 16.560625149697852
Energy: 17.43676705312204
Energy: 0.38855616325255926
Energy: 15.442507880063486
Energy: 0.3879106737020597
Energy: 0.4343730774169544
Energy: 15.808140245033377
Energy: 17.17752110647993
Energy: 0.3880807492440638
Energy: 14.880685387878797
Energy: 17.23209610078149
Energy: 23.105007875637586
Energy: 15.052783427198126
Energy: 16.649178694552113
Energy: 22.7800865932224
Energy: 0.3868689924291223
Energy: 18.785165787224127
Energy: 28.31343973231825
Energy: 26.010253690397853
Energy: 0.35647021215653873
Energy: 27.928802568831443
Energy: 23.869317300577197
Energy: 23.76043824738724
Energy: 0.5061476861330972
Energy: 19.612050068916687
Energy: 22.639046209783114
Energy: 0.3753617572270264
Energy: 16.795270908037043
Energy: 28.483293255933447
Energy: 31.729274516404395
Energy: 20.897751478186848
Energy: 24.565973403969288
Energy: 31.66596494449627
Energy: 0.3788393323365877
Energy: 26.907343317606966
Energy: 0.4693694674664073
Energy: 30.88995228369982
Energy: 30.798436050516276
Energy: 0.37788238291106097
Energy: 27.82149208007526
Energy: 0.3856944454111896
Energy: 29.80328460489069
Energy: 0.3876531732342884
Energy: 0.38788439364518157
Energy: 29.51962555868443
Energy: 0.3877607224680043
Energy: 27.035676538538045
Energy: 25.904218323678432
Energy: 18.752137990690862
Energy: 19.929057352397333
Energy: 26.069212019718012
Energy: 17.659485918658124
Energy: 0.389524443570624
Energy: 29.0655297544579
Energy: 0.3840346643842404
Energy: 0.3781027289640669
Energy: 28.79483701523863
Energy: 0.3777085093155776
Energy: 0.37803054779317646
Energy: 0.4540999406290465
Energy: 0.3894140148070844
Energy: 0.3881523892811808
Energy: 15.359869491747775
Energy: 0.38800430609341846
Energy: 17.615854465476502
Energy: 14.535211616306325
Energy: 0.38969916802544063
Energy: 0.3880139166063005
Energy: 14.81771837205642
Energy: 0.38802597462899363
Energy: 17.24430252606666
Energy: 0.40507505497572827
Energy: 20.17625773091629
Energy: 19.147062918446878
Energy: 0.386662825874314
Energy: 20.99423607896653
Energy: 17.104591225291717
Energy: 19.889751492780444
Energy: 25.719360348931172
Energy: 24.088574590142688
Energy: 21.32188698244576
Energy: 26.968659399784595
Energy: 0.35628462695459107
Energy: 16.270768899950873
Energy: 0.3755558620603628
Energy: 0.3772161466052761
Energy: 17.127896436848015
Energy: 0.3564955960344985
Energy: 28.49393094393481
Energy: 0.37774247691471496
Energy: 28.332467942796324
Energy: 26.56614847989177
Energy: 0.37804624959482935
Energy: 29.7439176275461
Energy: 23.29152457897839
Energy: 26.174602034615713
Energy: 0.3782350836348371
Energy: 0.43163363457228604
Energy: 26.992098886327025
Energy: 0.3781268670834751
Energy: 0.38467860884274324
Energy: 0.40813599541498796
Energy: 30.232242735355754
Energy: 28.664492342866325
Energy: 0.3877238305364511
Energy: 30.77621457943465
Energy: 27.241865332730086
Energy: 17.03175113480938
Energy: 0.37800762655381104
Energy: 0.37808911482478447
Energy: 17.261998710920178
Energy: 0.3768844769017257
Energy: 0.3880552792623565
Energy: 0.4051987068494789
Energy: 28.063520079183466
Energy: 27.039523853200468
Energy: 0.3865594876733554
Energy: 28.96988392681074
Energy: 0.37847394645529503
Energy: 0.4349527320923902
Energy: 16.59047274044426
Energy: 17.579711940075622
Energy: 0.3880926497194652
Energy: 15.98145506915577
Energy: 17.749022105341425
Energy: 0.43292778818820654
Energy: 16.518352768178275
Energy: 17.234527775118003
Energy: 0.3885226960331568
Energy: 15.28988053880706
Energy: 0.3881065472725663
Energy: 20.478864873679328
Energy: 0.3855118506726144
Energy: 0.38615036752115395
Energy: 20.273567245031902
Energy: 0.38594437394759357
Energy: 0.3871023875626582
Energy: 26.869427799761752
Energy: 25.376183326370075
Energy: 0.35424308678028693
Energy: 26.529697014268862
Energy: 21.606219940062662
Energy: 0.3433349115317245

minimum gb energy = 0.3433349115317245 eV
minimum distance =  2.68188539058322 Angstroms
sigma value = 51


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

Energy: 0.5496197543264731
Energy: 28.20280296722232
Energy: 20.90554276395249
Energy: 0.3151803436112514
Energy: 25.857457059907798
Energy: 0.31542510512958644
Energy: 29.215295256155418
Energy: 12.815795514899351
Energy: 19.402619705837896
Energy: 28.783053556585056
Energy: 11.348991197941977
Energy: 24.12789437179123
Energy: 0.4754437558077945
Energy: 0.3895580592906807
Energy: 17.73790478218299
Energy: 23.283088647012374
Energy: 0.38969309052372253
Energy: 19.810573589266063
Energy: 0.4753289964181879
Energy: 18.83992719965464
Energy: 20.771155744063645
Energy: 0.39780039656800664
Energy: 16.91613534305151
Energy: 0.34664599981970146
Energy: 0.4371607307032565
Energy: 12.088973538996738
Energy: 12.870164487752431
Energy: 0.3439691040739653
Energy: 11.75009637836638
Energy: 0.35892364504979773
Energy: 0.43785377814318593
Energy: 12.03187404766348
Energy: 12.107026555655704
Energy: 0.36884683543349167
Energy: 11.659806167457607
Energy: 12.60464336132543
Energy: 0.43754396372746757
Energy: 0.3424364670074301
Energy: 0.3420124739243926
Energy: 0.3686504257395076
Energy: 11.335539292950536
Energy: 0.36293404037516547
Energy: 13.128912802708795
Energy: 18.309827123714744
Energy: 17.306501081502073
Energy: 13.696117230326617
Energy: 18.436725185838124
Energy: 15.782261607748916
Energy: 0.3898099776324647
Energy: 16.38012819775653
Energy: 15.28931243778687
Energy: 11.785237494214622
Energy: 17.2179518881829
Energy: 22.311335978427827
Energy: 0.3879968359497858
Energy: 24.005221793850307
Energy: 21.67984516787297
Energy: 0.38776051543670226
Energy: 25.98417221178731
Energy: 18.99081715529147
Energy: 21.527510501186203
Energy: 18.503895076572977
Energy: 18.193895357442276
Energy: 23.194019693929135
Energy: 18.69661133249302
Energy: 16.40684084601464
Energy: 0.40555951623508446
Energy: 27.83635568213134
Energy: 24.652784143182114
Energy: 0.36991149030697773
Energy: 0.3410125865122794
Energy: 20.953178407605495
Energy: 0.40606943121736655
Energy: 16.34022515067298
Energy: 0.3730557952228158
Energy: 0.39970013259238507
Energy: 16.70212071387797
Energy: 0.3743221338764721
Energy: 0.40573928142200755
Energy: 18.926654966940752
Energy: 18.783569487904582
Energy: 0.3904046545314041
Energy: 18.935469597373544
Energy: 17.370614002773703
Energy: 0.4534230601005122
Energy: 12.348734372247455
Energy: 12.547490078888767
Energy: 0.32107297530114404
Energy: 0.32031332413891067
Energy: 13.109188526189794
Energy: 0.45375153574597266
Energy: 11.837061210545084
Energy: 13.380322014551068
Energy: 0.40626726633262045
Energy: 10.695227217451594
Energy: 0.32474183404076695
Energy: 17.36421126080472
Energy: 0.3727460462007449
Energy: 0.3728220095401837
Energy: 16.958062366329372
Energy: 0.3727496062014011
Energy: 0.3727530549573621
Energy: 0.49884679025558876
Energy: 26.192557732092318
Energy: 19.872220207202847
Energy: 0.4998764069575052
Energy: 23.730612751935247
Energy: 21.13440111137955

minimum gb energy = 0.3151803436112514 eV
minimum distance =  1.03972319183133 Angstroms
sigma value = 19


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

Energy: 0.4620616477111131
Energy: 23.412898093122518
Energy: 0.39739550002997337
Energy: 0.3971811557094003
Energy: 23.18455328968392
Energy: 0.40077403769936976
Energy: 24.79766620274132
Energy: 18.27498987310208
Energy: 20.06478178802359
Energy: 24.654442885188615
Energy: 17.018392804971594
Energy: 22.19306111239256
Energy: 40.988260764485794
Energy: 0.363738591179952
Energy: 0.36390681592911756
Energy: 41.07146409547977
Energy: 0.3638460354505498
Energy: 38.54988162869959
Energy: 0.4009862274989583
Energy: 36.53754926419784
Energy: 40.04464096133829
Energy: 0.36472250073908374
Energy: 0.35472121095413944
Energy: 40.43802026024846
Energy: 0.4907205679172454
Energy: 23.32047529712885
Energy: 24.616837995876597
Energy: 0.3528357295210271
Energy: 22.295941968399802
Energy: 25.2064187422598
Energy: 0.40087840759652354
Energy: 0.3554626476075838
Energy: 23.082784551606185
Energy: 0.3670088711560454
Energy: 0.3553628068858581
Energy: 24.184670044151005
Energy: 0.40043784687847356
Energy: 21.852131097969536
Energy: 20.662864930810304
Energy: 0.3666944284921712
Energy: 22.91093360495193
Energy: 19.605861560217956
Energy: 20.459316602067638
Energy: 0.33269159017803773
Energy: 0.33261759161086346
Energy: 21.236331735129003
Energy: 0.33214511446572204
Energy: 0.3323515578967516
Energy: 18.2638887075762
Energy: 0.331927661145304
Energy: 0.3319549003975012
Energy: 18.83478600440649
Energy: 0.3326532858624707
Energy: 0.34482960474742286
Energy: 0.3645837182056138
Energy: 34.82389656334854
Energy: 0.36378107519124026
Energy: 0.3646747682909296
Energy: 37.91960036173634
Energy: 0.3634996407852206
Energy: 0.36397458129673577
Energy: 0.3837876727936111
Energy: 0.38384054394682954
Energy: 0.3641227688675766
Energy: 0.3855396491145404
Energy: 41.05524427267379
Energy: 23.210524790954867
Energy: 39.18858231780106
Energy: 0.3761910753622105
Energy: 23.881093967292884
Energy: 38.719308516103304
Energy: 0.36392791217082726
Energy: 0.35512587629721626
Energy: 22.113934024149167
Energy: 23.347178384905792
Energy: 0.3562705581090925
Energy: 21.26826591113985
Energy: 22.351114037962976
Energy: 23.130511316527908
Energy: 0.3674338435006333
Energy: 0.36620028625771867
Energy: 22.977585542847855
Energy: 0.36738083186392806
Energy: 22.191730887169022
Energy: 0.44289563878920585
Energy: 21.380610794612437
Energy: 22.978505815325583
Energy: 0.33193650386768814
Energy: 19.478150410406187
Energy: 0.33137344239928745
Energy: 0.44532563366501743
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Energy: 0.3459160313210802
Energy: 0.3321083461398944
Energy: 22.16701795159871
Energy: 0.33251339384845113
Energy: 26.392098590915474
Energy: 0.36394294555648343
Energy: 19.12146724329537
Energy: 25.858068148332823
Energy: 0.36398777609336436
Energy: 20.890959493970048
Energy: 0.39676579333742407
Energy: 37.177494668270015
Energy: 39.85143297125018
Energy: 0.36447311722463605
Energy: 0.3638717236715016
Energy: 41.498745321405266
Energy: 0.39733973109887105
Energy: 0.36417587204087737
Energy: 38.186053544569624
Energy: 0.36417656359810197
Energy: 0.3639155283596572
Energy: 40.545047766695205
Energy: 0.4007385430461674
Energy: 0.355396033523215
Energy: 22.192175617250406
Energy: 0.3663498978659313
Energy: 0.3552584122447878
Energy: 23.177478659867933
Energy: 0.40075448880828973
Energy: 23.347073824630762
Energy: 23.525252880374037
Energy: 0.3659289184626876
Energy: 22.66243718734337
Energy: 23.29492062367334
Energy: 0.4005173563698797
Energy: 23.71761310519909
Energy: 22.329846884681718
Energy: 17.56675678260899
Energy: 23.891512863405552
Energy: 20.679361331801438
Energy: 21.39502059322683
Energy: 0.3968698819498495
Energy: 0.39672314007330345
Energy: 21.446588201546056
Energy: 0.3975836754296197
Energy: 0.3984807380547966
Energy: 16.506179469392887
Energy: 23.92377895120933
Energy: 23.443728446208393
Energy: 16.869622882462224
Energy: 0.33182414015840306
Energy: 21.42056688565438
Energy: 0.3637768033815447
Energy: 40.682224183144875
Energy: 38.66077408220442
Energy: 0.3637196084111288
Energy: 41.420094329150174
Energy: 36.748217042523436
Energy: 0.4019149736612949
Energy: 0.36552767301545425
Energy: 0.36523333732734475
Energy: 0.40228216030519987
Energy: 0.36543141213030694
Energy: 40.8098772094414
Energy: 22.047769939590125
Energy: 0.3661845802319894
Energy: 26.696635591309384
Energy: 22.35324923709828
Energy: 0.3665517208563056
Energy: 25.36767756812838
Energy: 0.3552443502681991
Energy: 23.117025232190873
Energy: 23.829838271081424
Energy: 0.3552065839749343
Energy: 22.79499925456018
Energy: 23.364553322394844
Energy: 24.153743432084468
Energy: 0.366004294095859
Energy: 0.366136498640387
Energy: 23.762631539828796
Energy: 0.3662868902568839
Energy: 20.41173252855998
Energy: 0.4425741541513353
Energy: 23.173834243676836
Energy: 0.345627244064351
Energy: 0.33229404101493615
Energy: 21.708098988635417
Energy: 0.33245886466551483

minimum gb energy = 0.33137344239928745 eV
minimum distance =  2.73554435167419 Angstroms
sigma value = 27


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

Energy: 0.39379734338334393
Energy: 24.60017323873738
Energy: 21.91621512027399
Energy: 0.3663161734720437
Energy: 22.3932071880443
Energy: 24.339095455473448
Energy: 24.17877225023935
Energy: 13.753086845987696
Energy: 15.731413164820696
Energy: 24.002600016428712
Energy: 12.449879134128897
Energy: 18.47983395149353
Energy: 26.493107965924715
Energy: 0.3403014935146289
Energy: 0.3403488129242817
Energy: 26.312922417688405
Energy: 0.34022633813862657
Energy: 0.30491188702287086
Energy: 25.61388602675706
Energy: 0.3449250452875386
Energy: 23.707429644085448
Energy: 25.658942687148084
Energy: 0.38737326993004484
Energy: 25.12987771624844
Energy: 0.39400136000746244
Energy: 0.29377225632526555
Energy: 16.38367561430006
Energy: 0.329933445867889
Energy: 0.2941314800580134
Energy: 16.457398366345565
Energy: 12.84516449244106
Energy: 0.29403484302568006
Energy: 0.29402510981982966
Energy: 13.28088860430063
Energy: 0.2937326556414589
Energy: 0.27634060355549356
Energy: 0.341064175134311
Energy: 0.29292810864431507
Energy: 0.3056026014877436
Energy: 0.3414319171197973
Energy: 0.29974552262079973
Energy: 0.3405152420513621
Energy: 22.563276206434992
Energy: 0.291570480627912
Energy: 0.3074243331270169
Energy: 23.33504539697945
Energy: 0.2905789923245436
Energy: 0.3618902182692045
Energy: 0.36568496745091805
Energy: 0.29063377728301404
Energy: 27.458086102046607
Energy: 0.33545128737252156
Energy: 0.2907762146103123
Energy: 27.35263969253275
Energy: 14.536218640959833
Energy: 0.2916663347771062
Energy: 15.670249659570686
Energy: 14.631766803394667
Energy: 0.3484209214997748
Energy: 15.579838183035957
Energy: 15.721496072145975
Energy: 0.34757392826374045
Energy: 0.341555617909989
Energy: 15.773835010777072
Energy: 0.3476768614637201
Energy: 16.868803385073274
Energy: 23.917786264342713
Energy: 14.417210070377777
Energy: 16.20858534806649
Energy: 23.739280218318207
Energy: 13.2573451861001
Energy: 18.758430063679608

minimum gb energy = 0.27634060355549356 eV
minimum distance =  1.2184850766149 Angstroms
sigma value = 9


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

Energy: 15.813100152424994
Energy: 26.885016053695008
Energy: 0.28741854070520567
Energy: 15.752665653609176
Energy: 23.559968922559808
Energy: 13.660459701914977
Energy: 25.577242431151102
Energy: 0.2793094340441766
Energy: 19.062386230788807
Energy: 25.21252606670593
Energy: 10.461330443787503
Energy: 21.020559123510466
Energy: 16.63815489872417
Energy: 10.247496295520474
Energy: 0.27903891417262705
Energy: 16.588271424633838
Energy: 9.425302888541188
Energy: 0.2764411225572384
Energy: 17.15796233614458
Energy: 0.2672220727677732
Energy: 0.2525849516944497
Energy: 17.11901382377959
Energy: 0.28567182324608964
Energy: 0.24855955207095423
Energy: 10.713236486790153
Energy: 16.65790067758443
Energy: 15.539250022961923
Energy: 11.368551838732651
Energy: 16.885844082860324
Energy: 20.93731197012445
Energy: 11.277745625888118
Energy: 0.25055490428688976
Energy: 17.07882386594629
Energy: 11.614128833085795
Energy: 0.2526822261585291
Energy: 16.3041851765603
Energy: 0.280367218697191
Energy: 11.546120449935133
Energy: 0.2727862548458285
Energy: 0.2806900585614981
Energy: 12.300347184767396
Energy: 0.2789619810513741
Energy: 0.27157528016308724
Energy: 0.2714041257988543
Energy: 18.61219963729018
Energy: 0.2718653691579826
Energy: 0.27038197890897164
Energy: 17.64757956758608
Energy: 0.3498407134765456
Energy: 17.633098348160537
Energy: 16.861825138380897
Energy: 0.26755305783716915
Energy: 17.624913889998687
Energy: 0.2581226541497084
Energy: 15.607142086083266
Energy: 12.143417306966501
Energy: 14.109332025926054
Energy: 15.585094059299127
Energy: 10.268575074933539
Energy: 0.2625520097476066
Energy: 0.2720101594261495
Energy: 9.720933845854692
Energy: 11.769755984980947
Energy: 0.28082127871713813
Energy: 0.27852930550727806
Energy: 13.636024901328845
Energy: 19.99811666429354
Energy: 0.2788412892354785
Energy: 0.2786417979890965
Energy: 19.68790858987006
Energy: 0.27931462127968104
Energy: 15.185305703643788
Energy: 15.808289176585266
Energy: 20.077401498400363
Energy: 0.2768226058493277
Energy: 15.754286933129146
Energy: 16.673941394647425
Energy: 13.76935138112075
Energy: 18.851012811812215
Energy: 0.27132986457199243
Energy: 0.27892340612392563
Energy: 18.556047386589572
Energy: 0.27380134438858167
Energy: 16.58370372618321
Energy: 0.2816280238480051
Energy: 0.2920131733156895
Energy: 0.29369999829743537
Energy: 0.2813278531826789
Energy: 0.3000901926741064
Energy: 12.119857395439187
Energy: 0.2792452283663115
Energy: 0.2777792918686163
Energy: 0.28096202386180336
Energy: 0.2799548032235126
Energy: 0.2635265406240508
Energy: 0.27899236481450096
Energy: 15.092071660468235
Energy: 16.50346127013285
Energy: 15.297014731483076
Energy: 16.024431243959373
Energy: 16.859711014645544
Energy: 27.151158392866964
Energy: 19.700933721354275
Energy: 0.26178542209818856
Energy: 17.11493595986419
Energy: 21.69250570901682
Energy: 0.27502719689206206
Energy: 16.315479052463168
Energy: 0.2931029421764507
Energy: 15.707381241359474
Energy: 0.27417773748935187
Energy: 0.28038984394968425
Energy: 16.33406461885981
Energy: 0.2731865413886585
Energy: 11.888253929102229
Energy: 0.2828689012787075
Energy: 0.2843601973549948
Energy: 11.90132384728724
Energy: 0.2816673241076592
Energy: 13.445505570866677
Energy: 18.02407303843256
Energy: 0.27963720077168247
Energy: 0.29028553777035165
Energy: 0.25881983115458945
Energy: 0.2795093331953078
Energy: 11.328847073996693
Energy: 15.581855575790625
Energy: 24.94357291955351
Energy: 21.59741430608036
Energy: 15.529110977203386
Energy: 22.012226346820075
Energy: 0.2636421693050237
Energy: 0.30154630619009865
Energy: 21.457951715933675
Energy: 24.346789965087158
Energy: 0.28596839995424084
Energy: 19.198412643770165
Energy: 20.447435879327124
Energy: 0.29296182828836914
Energy: 0.2796020968036153
Energy: 0.2799567889959366
Energy: 0.27295686323821405
Energy: 8.61593457057412
Energy: 0.29039035695805243
Energy: 17.60175633219651
Energy: 0.28096203169744854
Energy: 0.25303676693576593
Energy: 17.58757653904788
Energy: 0.2803095373684174
Energy: 16.80420788458161
Energy: 0.3058321870945369
Energy: 13.529656930803915
Energy: 13.872354782903031
Energy: 0.27334947998338205
Energy: 20.430581858486384
Energy: 12.581958239924367
Energy: 11.144041668499666
Energy: 0.25434767020914545
Energy: 0.25296428975805185
Energy: 11.896202141050196
Energy: 0.26786273637184693
Energy: 16.724606968361634
Energy: 0.28380642582199117
Energy: 20.52647596156053
Energy: 13.246173827391395
Energy: 0.28443407555427047
Energy: 21.27579660749212
Energy: 12.417560671005756
Energy: 0.2727230439686734
Energy: 18.316506929721356
Energy: 16.93467310589173
Energy: 0.2726856440507258
Energy: 18.994811868422083
Energy: 0.27297951696536465
Energy: 0.27247397133434437
Energy: 0.2713890721758243
Energy: 17.970675961717312
Energy: 0.2708318428886924
Energy: 0.27035518876728126
Energy: 17.178397842270904
Energy: 0.27213901196882917
Energy: 11.286080845030844
Energy: 12.294595612563125
Energy: 0.28029405961844794
Energy: 0.267226703955725
Energy: 13.78205765890315
Energy: 15.774133632916925
Energy: 12.391300031957657
Energy: 14.157855095636421
Energy: 15.721897717056965
Energy: 10.163506259035188
Energy: 0.25214067645766053
Energy: 0.3484419285905347
Energy: 0.279170466319341
Energy: 0.2789596868160371
Energy: 0.2675495768688408
Energy: 0.28080121349716847
Energy: 0.27891385512226796
Energy: 15.675053906800823
Energy: 18.204649482432085
Energy: 21.909605127678244
Energy: 15.620989535087963
Energy: 15.509838721476294
Energy: 0.28041568076655
Energy: 0.2871441794368135
Energy: 15.902559472785297
Energy: 18.233464147279157
Energy: 0.2828565259828632
Energy: 0.2710289761185624
Energy: 20.833687851984667
Energy: 0.2881013618685766
Energy: 0.29295338917846053
Energy: 12.076030975493248
Energy: 0.28559754113499014
Energy: 0.28781237466474896
Energy: 11.410302756427543
Energy: 0.2802041527821737
Energy: 12.68321593781817
Energy: 11.757964535341598
Energy: 0.2808389796173049
Energy: 13.054278997288566
Energy: 10.760594187361958
Energy: 0.27916079963420526
Energy: 26.199069370910877
Energy: 21.508300096557356
Energy: 0.2790615898786331
Energy: 26.992897475099106
Energy: 17.764126658248323
Energy: 17.173260606940715
Energy: 0.27096450786374604
Energy: 0.2720169983455027
Energy: 20.503642213830037
Energy: 0.2685155359531508
Energy: 16.740990039602334
Energy: 0.29288260960821016
Energy: 26.86647253963317
Energy: 22.93135763322894
Energy: 0.27962924638090947
Energy: 27.378407329728855
Energy: 19.87376822166933
Energy: 11.787275247369683
Energy: 0.28269516188016874
Energy: 0.26352732783264476
Energy: 11.792482791009721
Energy: 0.28330981945759404
Energy: 10.999979040588888
Energy: 0.2932373879473285
Energy: 0.28210057402882693
Energy: 0.28315980813300545
Energy: 0.2795393519320433
Energy: 10.242305775801789
Energy: 0.268569310669538
Energy: 0.3016518091279349
Energy: 20.847543521215993
Energy: 23.540996101160403
Energy: 0.28561958181694935
Energy: 18.85673191843201
Energy: 19.36898684076432

minimum gb energy = 0.24855955207095423 eV
minimum distance =  1.12206098377876 Angstroms
sigma value = 57


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

Energy: 0.10135277379829273
Energy: 32.82123320330897
Energy: 0.10561734223009939
Energy: 0.10229317210721063
Energy: 33.4446140779958
Energy: 0.10132804231520798
Energy: 33.877575848370135
Energy: 29.31123451863366
Energy: 30.885828980972402
Energy: 33.90896992801019
Energy: 28.293283121006596
Energy: 32.896225313666534
Energy: 43.23816366157026
Energy: 43.28267356034192
Energy: 47.002701615379856
Energy: 55.678852592663254
Energy: 39.52634263766883
Energy: 51.66611094437541
Energy: 42.090353864985396
Energy: 0.11866949048674416
Energy: 0.1186737457015663
Energy: 42.0709765013573
Energy: 35.09805768181431
Energy: 46.02333366920534
Energy: 28.998082220511915
Energy: 0.10140629931300897
Energy: 0.11628382257689863
Energy: 29.596128261144838
Energy: 0.10125306426753346
Energy: 33.348186268025806
Energy: 30.074606160938938
Energy: 0.10140903393367465
Energy: 0.10140422220636981
Energy: 28.96655103045138
Energy: 0.10165967469360628
Energy: 0.11341657963682746
Energy: 31.593896178548995
Energy: 32.889535999905775
Energy: 32.413959855637074
Energy: 32.413687641311
Energy: 33.50792983180475
Energy: 32.47737795146425
Energy: 40.919858153576115
Energy: 57.288259058667904
Energy: 60.41414390176812
Energy: 42.35694051742486
Energy: 67.04562050595035
Energy: 54.69636101671938
Energy: 32.699148409359736
Energy: 0.11950781904546286
Energy: 38.27046808229164
Energy: 32.812204354534785
Energy: 40.35747177531333
Energy: 35.540103295029944
Energy: 0.10469473938479475
Energy: 33.3031263098269
Energy: 0.11398558689320681
Energy: 0.10157474379102004
Energy: 32.00296604519943
Energy: 0.11401068486925385
Energy: 0.10148642834109702
Energy: 32.07539027309896
Energy: 32.47237292054143
Energy: 0.1015736546270249
Energy: 29.336782411522872
Energy: 0.11533992802505572
Energy: 38.69803666115527
Energy: 35.704448049603485
Energy: 38.90911256312031
Energy: 38.435855627885594
Energy: 33.87125182355638
Energy: 0.12274828046909214
Energy: 63.83552040552798
Energy: 48.08537719593723
Energy: 53.140104696399874
Energy: 64.21361541567836
Energy: 44.25922867603436
Energy: 57.742187956810845
Energy: 32.697074728087934
Energy: 35.1186908087552
Energy: 34.109671714635795
Energy: 32.65879526962624
Energy: 34.786216655006655
Energy: 33.289574490213504
Energy: 31.194404868879257
Energy: 0.1014731937517671
Energy: 0.10129409196451344
Energy: 31.007029290155778
Energy: 0.10351379734020726
Energy: 0.10279967155614472
Energy: 27.258956441446994
Energy: 33.403736155388444
Energy: 33.77009308920436
Energy: 27.623295874893625
Energy: 0.10138603324142993
Energy: 32.410987963638576
Energy: 36.871043088002814
Energy: 50.78195334095963
Energy: 51.09431379236117
Energy: 37.604296917234244
Energy: 51.212426754924245
Energy: 46.58528497643878
Energy: 39.804571932952406
Energy: 42.44163082125937
Energy: 49.93722293492857
Energy: 0.13942954798804313
Energy: 42.09613126923081
Energy: 46.64043352036904
Energy: 0.10154748779297902
Energy: 31.953155163995934
Energy: 34.36904756372713
Energy: 0.10131251001814559
Energy: 30.064766424262366
Energy: 33.41649889310184

minimum gb energy = 0.10125306426753346 eV
minimum distance =  1.0243133629523 Angstroms
sigma value = 11


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

Energy: 0.3684397291532876
Energy: 28.896970508825415
Energy: 13.113531009834283
Energy: 0.22560776486425446
Energy: 24.504081213744115
Energy: 14.658149893291016
Energy: 27.844084771657617
Energy: 0.20032734815544645
Energy: 17.968808769432023
Energy: 27.44108822410245
Energy: 0.1987057919245058
Energy: 20.497561427283525
Energy: 0.20264774072088562
Energy: 9.9879474668303
Energy: 9.854622634100089
Energy: 0.20313359952323118
Energy: 10.18423607149012
Energy: 11.314093414923507
Energy: 0.20214948336353433
Energy: 0.19858426125568165
Energy: 0.20064460566892497
Energy: 0.20265220726749028
Energy: 0.20068724280024952
Energy: 0.19689777255419386
Energy: 15.074154100639165
Energy: 18.54372174777359
Energy: 16.465429316736827
Energy: 16.37912195069251
Energy: 0.2726164517704274
Energy: 25.297567966422843
Energy: 15.821474973424383
Energy: 12.327944670471595
Energy: 0.23022099745212005
Energy: 22.53361560980437
Energy: 13.022794728942081
Energy: 18.595825672152245
Energy: 10.791448744571303
Energy: 16.01740644469229
Energy: 0.19641532836998155
Energy: 0.19914945311152812
Energy: 16.856607314737886
Energy: 0.21435906363181612
Energy: 0.20383221639310176
Energy: 0.21460942396821445
Energy: 10.107364459522675
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Energy: 0.2140731008110224
Energy: 11.38204157312751
Energy: 0.22099261970041262
Energy: 0.20346803136361327
Energy: 0.2037049719017426
Energy: 0.21344433181462202
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Energy: 0.21451932821236705
Energy: 0.2286353190893452
Energy: 19.878595219615526
Energy: 23.43665852058263
Energy: 0.2060879481212864
Energy: 16.144192957783016
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Energy: 14.872252083673809
Energy: 17.014512687758852
Energy: 20.54307576447083
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Energy: 0.24420734654405696
Energy: 0.1874691165631859
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Energy: 0.2440753993433153
Energy: 12.744200732458976
Energy: 11.71910728051193
Energy: 0.27572649289005713
Energy: 13.71157639550957
Energy: 0.23149984754741335
Energy: 0.27621014808712785
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Energy: 0.2308446159517803
Energy: 0.24575620622704752
Energy: 13.071853516377477
Energy: 0.2654393502215285
Energy: 12.800514781313117
Energy: 13.839590867256623
Energy: 20.035265265069523
Energy: 10.795571196650169
Energy: 16.11840850328693
Energy: 16.12736060306658
Energy: 10.879977101531972
Energy: 16.427417487794454
Energy: 0.23022657154409348
Energy: 0.26173912060936566
Energy: 17.365821347562132
Energy: 13.007444267184711
Energy: 0.1961937723422783
Energy: 11.311469579390888
Energy: 14.606964500913893
Energy: 14.187311224008843
Energy: 9.365828532235378
Energy: 11.29144456171469
Energy: 13.953351982289002
Energy: 0.24639392363104395
Energy: 16.964562348761042
Energy: 15.716200132615008
Energy: 0.25020777027978847
Energy: 0.2197190599860163
Energy: 15.424335853404783
Energy: 0.24956611557046113
Energy: 0.21796539104357604
Energy: 0.25297616533429335
Energy: 0.2421476029114982
Energy: 14.827688823418695
Energy: 0.19576470372305757
Energy: 0.21734658784549962
Energy: 16.800340877765343
Energy: 0.32578808680218835
Energy: 20.29892422438007
Energy: 19.329707321448417
Energy: 0.2282576625056618
Energy: 15.629102005372086
Energy: 18.02255981993594
Energy: 9.834653940122248
Energy: 12.81779892399444
Energy: 0.2223232047512399
Energy: 17.875078355802316
Energy: 13.55488698482206
Energy: 19.920574866315274
Energy: 0.22962255473763998
Energy: 17.972292470613922
Energy: 16.62553290657897
Energy: 0.19883288534713298
Energy: 18.919554485200134
Energy: 10.238266946109052
Energy: 8.038729660595626
Energy: 15.028472688145111
Energy: 0.1970375620065017
Energy: 8.237902950099862
Energy: 15.261862990849213
Energy: 0.20017673673081993
Energy: 0.19932692755790732
Energy: 0.2033148994032511
Energy: 0.19622195261791742
Energy: 0.19967349059763992
Energy: 14.02258351522593
Energy: 0.19692794074956294
Energy: 14.853006882043948
Energy: 22.282366710571388
Energy: 28.01436106491087
Energy: 14.72428921140586
Energy: 18.752300410258908
Energy: 23.365979900500253

minimum gb energy = 0.1874691165631859 eV
minimum distance =  1.01931109566146 Angstroms
sigma value = 41


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

Energy: 0.36436343807035076
Energy: 28.141215491808055
Energy: 20.629264819182474
Energy: 0.2789608599798187
Energy: 26.335053362959403
Energy: 0.285494013069598
Energy: 27.534705474524493
Energy: 13.581708688448677
Energy: 15.162808341217053
Energy: 27.310530565262326
Energy: 12.365986821355271
Energy: 24.10347556318123
Energy: 0.21520853032554374
Energy: 12.981597621098869
Energy: 13.270269557564367
Energy: 0.21610770579303107
Energy: 12.548971508798546
Energy: 13.169221624937252
Energy: 0.2149784896356552
Energy: 0.21634660233171132
Energy: 0.2290034977112313
Energy: 0.2157689685838037
Energy: 0.216632990412497
Energy: 0.2187249637550548
Energy: 16.60475935339985
Energy: 0.2728893717948564
Energy: 0.23556395504312883
Energy: 17.17825103790387
Energy: 0.2528871610553769
Energy: 24.35410646997651
Energy: 19.592562511247216
Energy: 18.479364742118772
Energy: 17.163018240879616
Energy: 20.471388470332275
Energy: 19.189394235889562
Energy: 0.24587203137062935
Energy: 14.911593639629544
Energy: 0.21703439751389375
Energy: 0.21857892807614704
Energy: 14.862943496181705
Energy: 18.854338782048924
Energy: 0.23067098703510375
Energy: 0.22983236880609237
Energy: 12.276513503739215
Energy: 13.547687178333579
Energy: 0.23051358319922952
Energy: 11.20004815645102
Energy: 0.22075864904124573
Energy: 0.24974512427877715
Energy: 0.2520125885842156
Energy: 0.251785548940053
Energy: 0.23836413157924852
Energy: 0.25203890850726046
Energy: 0.23819730160817604
Energy: 0.2518281178288613
Energy: 18.45913440405433
Energy: 20.861718131972445
Energy: 0.21848292894074037
Energy: 0.22565445921162078
Energy: 21.46479771620998
Energy: 0.25126607044032134
Energy: 0.24581603137338834
Energy: 20.615981152319733
Energy: 0.21777317395714613
Energy: 0.22528665491645383
Energy: 22.288592783376348
Energy: 11.673961810374037
Energy: 0.20642303956564945
Energy: 0.2061634246959645
Energy: 12.069336685226679
Energy: 17.74823049301518
Energy: 17.420141596662088
Energy: 11.003715788821895
Energy: 17.764076410520822
Energy: 0.20565771578803335
Energy: 11.549304960013536
Energy: 18.713269325163054
Energy: 0.23619140260146063
Energy: 0.2518697371310032
Energy: 0.2400615400257365
Energy: 0.22782253119517742
Energy: 0.2521908783969504
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Energy: 0.2532134953944695
Energy: 0.24995664828955294
Energy: 21.20994424476779
Energy: 20.91230656052917
Energy: 0.24991450584862682
Energy: 20.79032311735376
Energy: 20.817894912138847
Energy: 15.578747299961643
Energy: 0.21849663897518673
Energy: 14.183013041202793
Energy: 15.710455256483902
Energy: 0.21656001182608203
Energy: 14.736179180427857
Energy: 0.3213181285762809
Energy: 27.643855003665145
Energy: 20.48862023280543
Energy: 0.2077788013989475
Energy: 25.708623298166025
Energy: 0.2440185793255094
Energy: 20.748358357668863
Energy: 14.377154421220386
Energy: 25.73145246157484
Energy: 20.680840106469073
Energy: 14.227243934388325
Energy: 18.598537232571193
Energy: 0.21474671782015828
Energy: 12.011490763845417
Energy: 12.313436475464583
Energy: 0.2154826977795412
Energy: 11.936721301140992
Energy: 12.712408268229344
Energy: 0.21612209802918206
Energy: 13.073951538347263
Energy: 12.721954899172783
Energy: 0.2168072468069298
Energy: 13.347421272037497
Energy: 0.21662129111536896
Energy: 0.2174703523462426
Energy: 24.304041220161075
Energy: 22.639930617321202
Energy: 0.21752624055176678
Energy: 25.780479629764862
Energy: 19.971481575770973
Energy: 20.48949303989435
Energy: 19.16196022134718
Energy: 17.862068780755276
Energy: 21.52760096769667
Energy: 19.28648084637981
Energy: 0.18767623085504426
Energy: 0.2489189848773921
Energy: 22.02910674746799
Energy: 21.145768240577407
Energy: 0.21753244531472934
Energy: 22.981899722091068
Energy: 20.752362020933855
Energy: 0.22983925033270683
Energy: 12.639300917729386
Energy: 14.023738930955854
Energy: 0.23029537153187332
Energy: 11.525635922600232
Energy: 0.22094422952140855
Energy: 13.846051336934845
Energy: 0.2519105669831116
Energy: 0.21709857655351403
Energy: 13.702583025878202
Energy: 0.2516381099993433
Energy: 11.141239825916374
Energy: 0.25135976449437414
Energy: 0.2249260071415742
Energy: 18.54116530906333
Energy: 0.2176590560673909
Energy: 0.22483790094419745
Energy: 20.691050692544465
Energy: 0.25159562200044316
Energy: 19.18852246512492
Energy: 21.500712831984682
Energy: 0.21817771585225432
Energy: 0.22590383944910428
Energy: 22.381721479427636
Energy: 0.2533601500812902
Energy: 0.22639956836476294
Energy: 17.017360995875872
Energy: 0.22471896158906327
Energy: 0.2053759832330058
Energy: 15.502053977558026
Energy: 12.089353413647538
Energy: 19.02348372363817
Energy: 17.597045769006407
Energy: 12.79453002901159
Energy: 19.180062709054877
Energy: 0.24188357685630452
Energy: 0.25293725644294585
Energy: 12.6732726702004
Energy: 11.550251582991002
Energy: 0.25201913077083865
Energy: 13.602462852297457
Energy: 10.4172726168718
Energy: 11.452318498707296
Energy: 20.979108520492225
Energy: 20.581468393342522
Energy: 0.22160183186293322
Energy: 20.962555202535587
Energy: 0.22019396984920084
Energy: 12.9787860591811
Energy: 0.21750500176419543
Energy: 0.2387578574097632
Energy: 13.006076056574928
Energy: 18.36348173613993
Energy: 0.21611737911422946
Energy: 0.27169531830349103
Energy: 26.340554113195445
Energy: 19.154322922952467
Energy: 0.20718834621671567
Energy: 14.48867867067158
Energy: 20.50758624989588

minimum gb energy = 0.18767623085504426 eV
minimum distance =  1.09805143539493 Angstroms
sigma value = 33


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

Energy: 0.333124427656016
Energy: 24.798684290532474
Energy: 0.3245762547059081
Energy: 0.3340534921927655
Energy: 21.765799372012385
Energy: 24.335829277008393
Energy: 23.856544701374087
Energy: 15.261749586288888
Energy: 16.747044833571305
Energy: 23.675145983769973
Energy: 14.339420858552492
Energy: 18.89412711918883
Energy: 0.2456790362240465
Energy: 15.819120091006932
Energy: 16.450810759961577
Energy: 0.24642918453977297
Energy: 15.1976616421386
Energy: 16.81608674661715
Energy: 0.2488566126918762
Energy: 16.302728942565683
Energy: 0.247310832065337
Energy: 0.24651146545569477
Energy: 16.813183442003414
Energy: 0.2470888443973864
Energy: 0.24958976687840942
Energy: 0.2482807858318258
Energy: 27.723504415225865
Energy: 0.2498558426855728
Energy: 0.25980133154599033
Energy: 27.43361662922986
Energy: 23.44892972330803
Energy: 0.249959165840529
Energy: 0.245467509390633
Energy: 24.20791290052736
Energy: 0.24884717824443284
Energy: 0.23192856207634838
Energy: 18.1010652474049
Energy: 0.23327650136511263
Energy: 18.872900832231537
Energy: 18.320166014715735
Energy: 0.23269978904727076
Energy: 19.278897674463053
Energy: 0.26231325913572023
Energy: 15.955713148795828
Energy: 0.2480321204813011
Energy: 0.26300526035158567
Energy: 14.44501035404497
Energy: 0.24822898317825517
Energy: 17.099169671113827
Energy: 0.23276908344517452
Energy: 0.23252580974027484
Energy: 16.78095272608972
Energy: 0.2344699071897584
Energy: 13.582648170552568
Energy: 26.862402236226814
Energy: 0.23296298189280532
Energy: 25.618775109044442
Energy: 26.95078171286218
Energy: 0.23311737243788735
Energy: 26.410565714932307
Energy: 25.73774831640213
Energy: 17.746867639995305
Energy: 0.24666736530499636
Energy: 25.574749001836828
Energy: 15.883129348571435
Energy: 0.24634005721559468
Energy: 15.716911629319624
Energy: 23.639257995630242
Energy: 0.2327791786722922
Energy: 16.46630575771076
Energy: 24.815317130595606
Energy: 0.24210553076322155
Energy: 16.36278419132286
Energy: 25.231105853854437
Energy: 23.41506125475712
Energy: 17.377554343089734
Energy: 25.4553311141292
Energy: 0.23181341353046922
Energy: 13.866670583273734
Energy: 15.784431116870133
Energy: 16.50803749063118
Energy: 14.010529983153093
Energy: 15.574523160664977
Energy: 16.659413587309086
Energy: 0.2295766866410241
Energy: 0.24651906636902948
Energy: 17.495218121614073
Energy: 15.528939119131534
Energy: 0.24592127424610108
Energy: 17.513735698445178
Energy: 25.754653797734463
Energy: 0.2564874215063715
Energy: 0.24798058525379588
Energy: 25.334788470783895
Energy: 0.254622602959059
Energy: 0.24273581856394794
Energy: 0.2728687214590193
Energy: 28.093182961709132
Energy: 0.23700838603542923
Energy: 0.24864732769258582
Energy: 25.10190683761993
Energy: 0.2348233968961857
Energy: 0.2715338630662479
Energy: 25.50906521447275
Energy: 27.330480740891723
Energy: 0.25763139753076586
Energy: 0.2799621823944507
Energy: 29.149415788913085
Energy: 0.24434629305900177
Energy: 0.2642573374138882
Energy: 0.25891406918698023
Energy: 14.591289401173585
Energy: 0.2634747386005223
Energy: 17.30105819154078
Energy: 0.23402693176823094
Energy: 0.25730177942814386
Energy: 0.2342883044491701
Energy: 12.377192547208368
Energy: 0.26360136100962184
Energy: 15.596319346441573
Energy: 0.2337723899209765
Energy: 0.2426788890952568
Energy: 0.23316485087332348
Energy: 0.23405897982601503
Energy: 0.2533640700736769
Energy: 0.2321187390196773
Energy: 0.2374857853341968
Energy: 27.26580311740949
Energy: 27.862930421947052
Energy: 0.23787824732730906
Energy: 26.820072355083443
Energy: 26.78016945385419
Energy: 20.421389651382878
Energy: 18.235530359241654
Energy: 17.912003301005743
Energy: 20.121483876594514
Energy: 0.25399116934918464
Energy: 18.076153010718084
Energy: 0.26796099511548116
Energy: 24.661653655611765
Energy: 0.2626633324932869
Energy: 25.521112265443353
Energy: 21.324049953121268
Energy: 24.09382760559546
Energy: 0.3021265667062645
Energy: 16.19443329586318
Energy: 19.01064271328957
Energy: 0.23574686686421573
Energy: 14.511736896656064
Energy: 22.52200462803045
Energy: 0.24513112915866098
Energy: 15.691287639676611
Energy: 15.761510491117788
Energy: 0.2461631054031913
Energy: 15.09796399799664
Energy: 16.105459153492486
Energy: 0.24576358141933824
Energy: 16.07386372719375
Energy: 15.962312667141196
Energy: 0.2465853497036236
Energy: 16.30861423979846
Energy: 0.24135001109574836
Energy: 0.25037522248775423
Energy: 27.7951686420265
Energy: 27.496968090771656
Energy: 0.25085055884579105
Energy: 0.2578762266432655
Energy: 25.248666844277555
Energy: 23.951738404137803
Energy: 0.2499364472905284
Energy: 0.24863295706693067
Energy: 24.779824434042897
Energy: 0.24870383965205378
Energy: 0.23239809098440664
Energy: 18.226251752104076
Energy: 27.944556983488095
Energy: 0.23449157352144032
Energy: 18.620459841290497
Energy: 26.400723306056214
Energy: 0.24256735129459758
Energy: 0.26239502250271385
Energy: 16.140104421230582
Energy: 0.24802949311259448
Energy: 0.26329279155245666
Energy: 14.636909980492936
Energy: 0.24821896116430794
Energy: 16.848417642263552
Energy: 0.23322418825596145
Energy: 12.818832793469735
Energy: 16.732787550430533
Energy: 0.23487071794936606
Energy: 14.245181836090065
Energy: 27.050448123769076
Energy: 0.2340919569268884
Energy: 0.23272931979901115
Energy: 27.113440165015092
Energy: 0.23396824760667487
Energy: 25.136553560106705
Energy: 26.69538347617369
Energy: 0.24909539445007878
Energy: 0.23856041238844594
Energy: 26.797128188214757
Energy: 0.23193626482407248
Energy: 25.07390981617318
Energy: 15.044707286257134
Energy: 0.2323789811091685
Energy: 0.23204067682301385
Energy: 15.575812007717257
Energy: 0.23674462918001699
Energy: 23.47629410343199
Energy: 17.510529019424784
Energy: 25.439492933870095
Energy: 24.480918834075688
Energy: 18.777832541863184
Energy: 25.48295840057791
Energy: 0.26391407853413507
Energy: 13.866475148639967
Energy: 16.66096829695475
Energy: 16.32649810225261
Energy: 14.232412680291597
Energy: 17.11423464762571
Energy: 16.398720641787946
Energy: 0.25135227922589765
Energy: 0.24821532049999484
Energy: 17.70607912492714
Energy: 0.2516471728851023
Energy: 0.24748638665042988
Energy: 17.466322595461254
Energy: 0.25445552076009786
Energy: 0.24774773996044439
Energy: 0.24911910005781415
Energy: 0.2644147677026331
Energy: 0.25672239441938005
Energy: 0.24417403081314057
Energy: 0.29311960824827893
Energy: 26.760318603440968
Energy: 27.88013345666641
Energy: 0.2485458288966158
Energy: 24.052926577335175
Energy: 0.25163917517122225
Energy: 0.2944756594572097
Energy: 25.765597962190046
Energy: 28.635868422581574
Energy: 0.24870941643422337
Energy: 23.790237981160193
Energy: 28.765747613202414
Energy: 0.25712148718811423
Energy: 0.2651156629956664
Energy: 0.26521826072841453
Energy: 0.25135000785167827
Energy: 0.2639176207074763
Energy: 18.081313941329768
Energy: 12.678379145592972
Energy: 0.26393508740097177
Energy: 0.2590543900000899
Energy: 13.100548486600225
Energy: 0.26379188622992006
Energy: 0.23501518666995952
Energy: 0.23375739780735294
Energy: 0.27780931484114324
Energy: 0.23214452393720916
Energy: 0.2339259907952246
Energy: 0.25638311977082845
Energy: 0.2323588072640767
Energy: 0.2842362963783518
Energy: 27.350921173244824
Energy: 28.028486061055972
Energy: 0.2843987023946853
Energy: 26.899013067892874
Energy: 26.972763892300566
Energy: 17.103840767232235
Energy: 0.24785509361486174
Energy: 19.971945740009467
Energy: 17.1049911453449
Energy: 18.42164342126676
Energy: 18.324778061194216
Energy: 25.506365628443657
Energy: 24.243276873119076
Energy: 0.23136985356210418
Energy: 25.490636419369054
Energy: 20.08207203301053
Energy: 23.407016647230456

minimum gb energy = 0.2295766866410241 eV
minimum distance =  1.23842922237981 Angstroms
sigma value = 67


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

Energy: 0.4127244801337226
Energy: 24.489066133086812
Energy: 0.25585261712194557
Energy: 0.4136958274226044
Energy: 24.325785886991262
Energy: 0.25635494842709394
Energy: 25.449155462003226
Energy: 24.02351646661215
Energy: 24.464351601734887
Energy: 25.48458353288762
Energy: 23.902307708352637
Energy: 25.33479428087676
Energy: 0.27495110774698
Energy: 0.23224203563571694
Energy: 23.883434008975925
Energy: 23.287635438332998
Energy: 0.23216676667733435
Energy: 24.711824819023434
Energy: 0.2745728393855144
Energy: 24.353618802281666
Energy: 22.8838219024322
Energy: 0.2745836785065675
Energy: 24.662557837615335
Energy: 21.40813020665663
Energy: 0.2723234889213109
Energy: 42.9229433007019
Energy: 41.21285182599372
Energy: 0.2725027710083802
Energy: 42.848368361732796
Energy: 37.9836952071704
Energy: 0.2726684537570482
Energy: 0.24422167000192815
Energy: 43.36312909861854
Energy: 0.2723173980950049
Energy: 0.27346452082789624
Energy: 42.65486617551533
Energy: 0.29694657235331234
Energy: 26.047746284297656
Energy: 26.582497671031938
Energy: 0.2969042481526784
Energy: 25.908550684663926
Energy: 27.555498302884665

minimum gb energy = 0.23216676667733435 eV
minimum distance =  1.15806622211653 Angstroms
sigma value = 3


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

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Energy: 27.11370117635697
Energy: 13.90138640553638
Energy: 0.3027237950331098
Energy: 22.274391447241143
Energy: 16.306652054640598
Energy: 25.21368607495327
Energy: 14.165202168342637
Energy: 17.097773052463722
Energy: 24.901284253663782
Energy: 0.3533750138774563
Energy: 19.342687709274585
Energy: 6.064474940014868
Energy: 12.494946308657486
Energy: 11.677767748796564
Energy: 0.2892124545930902
Energy: 13.170501119740265
Energy: 13.68847342723066
Energy: 0.28883227598077554
Energy: 13.70396994183385
Energy: 6.948293535005847
Energy: 0.2894451709197127
Energy: 11.503883725938948
Energy: 7.361612775782848
Energy: 0.2943129261454808
Energy: 9.662447223155212
Energy: 0.2877849836975667
Energy: 0.2945928037648573
Energy: 10.11341607736899
Energy: 0.28767475026279177
Energy: 0.28753533863772957
Energy: 10.03987602547544
Energy: 9.650770103351546
Energy: 0.28759391956183356
Energy: 10.418175902037556
Energy: 0.2880589428201361
Energy: 20.832760580870534
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Energy: 20.658562673411268
Energy: 0.33776932124503756
Energy: 14.787668888482017
Energy: 0.44943672324722406
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Energy: 14.163462292912161
Energy: 0.3119048373486822
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Energy: 16.86860677130018
Energy: 18.11229625404188
Energy: 0.29026271814066223
Energy: 0.32026646286918475
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Energy: 0.32010748911808506
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Energy: 17.66312069418485
Energy: 0.32114384313454347
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Energy: 17.593862937604683
Energy: 8.011815009616043
Energy: 5.944450285723189
Energy: 6.2147485992071685
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Energy: 0.28716912302201464
Energy: 6.600053360780348
Energy: 0.32098870174241073
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Energy: 5.9330041278774726
Energy: 0.3087529346560004
Energy: 0.2872974441356819
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Energy: 0.2908174537939643
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Energy: 11.338828959293627
Energy: 0.2883754874773749
Energy: 0.28678436034287064
Energy: 0.3443667101021772
Energy: 10.268036897733722
Energy: 11.965399066844299
Energy: 0.3188358479836037
Energy: 9.25194356226491
Energy: 14.336805405972006
Energy: 10.787353931171246
Energy: 18.020963636807572
Energy: 14.743210035026925
Energy: 11.080768152321161
Energy: 19.062580875971943
Energy: 0.3061633780120223
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Energy: 12.885404926892052
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Energy: 21.037584930525576
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Energy: 20.414278567303565
Energy: 0.32318149200555046
Energy: 17.850442592141988
Energy: 25.26433812699496
Energy: 0.3325465824336178
Energy: 18.738204447173
Energy: 23.55729329831577
Energy: 19.191344385176436
Energy: 13.805185059065508
Energy: 15.959252507040892
Energy: 19.09295890588858
Energy: 12.244197665097794
Energy: 14.85991359866168
Energy: 0.3717003476296131
Energy: 12.940273938453767
Energy: 14.864415082755025
Energy: 18.142011600768136
Energy: 0.3038051105199745
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Energy: 0.30484281571775734
Energy: 0.3078100749675617
Energy: 0.30936484990409363
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Energy: 0.3085621473114476
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Energy: 0.3084283552203833
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Energy: 11.862394424868501
Energy: 11.390760149593628
Energy: 13.781908421000649
Energy: 19.15992925802779
Energy: 0.29189849259979767
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Energy: 16.840926061505183
Energy: 0.30381951414454333
Energy: 18.76302694768819
Energy: 0.28672487321639845
Energy: 0.4258735627503198
Energy: 19.066528101977152
Energy: 24.14588957450684
Energy: 20.076713187169887
Energy: 15.87970369401065
Energy: 14.926731727104197
Energy: 17.895838608345922
Energy: 18.06212692871844
Energy: 23.179343407104273
Energy: 17.503038154802983
Energy: 14.647526336345436
Energy: 13.483233115812178
Energy: 0.292377019906223
Energy: 13.49484381034328
Energy: 12.564191100307555
Energy: 0.29769612240376453
Energy: 13.623387148530272
Energy: 0.28658135625133324
Energy: 0.29437726110666074
Energy: 12.803847169032428
Energy: 11.826482233619327
Energy: 0.294502028922696
Energy: 13.601233444093433
Energy: 13.616163880974694
Energy: 0.29512224408103127
Energy: 0.3115176560514636
Energy: 0.2940497675021112
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Energy: 0.3067565364119658
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Energy: 0.3862792606297054
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Energy: 21.101184597329546
Energy: 0.2857905923047025
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Energy: 14.75524464939778
Energy: 18.596077586098932
Energy: 16.258054346000115
Energy: 20.35185194909493
Energy: 18.222373445050692
Energy: 13.850882364311202
Energy: 22.421111752552743
Energy: 0.31177007198332496
Energy: 20.956721803519265
Energy: 20.137626086916
Energy: 0.31171382244515844
Energy: 21.633080377076734
Energy: 21.023135924360794
Energy: 0.33056082921869223
Energy: 12.47763432002418
Energy: 11.479161749254038
Energy: 15.373709991845825
Energy: 13.28007870169992
Energy: 20.96465447592088
Energy: 5.654508365375278
Energy: 0.29089804070237396
Energy: 0.2875886939379998
Energy: 5.748027220435174
Energy: 0.31388710660576213
Energy: 0.33792251229751374
Energy: 0.3205995847620491
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Energy: 6.766311402770128
Energy: 0.3088740451558456
Energy: 0.28778153795628864
Energy: 7.799229093787264
Energy: 7.130297519664582
Energy: 0.290800107423064
Energy: 0.28686064351332985
Energy: 6.985201521680191
Energy: 0.2905893763925702
Energy: 0.28689301269046213
Energy: 0.34380015738107733
Energy: 9.418057268764748
Energy: 10.869455912860328
Energy: 0.31932789853234006
Energy: 0.29319036983237723
Energy: 12.946019373471449
Energy: 14.134237563042346
Energy: 10.524948831931928
Energy: 11.011565820511953
Energy: 13.95301062854452
Energy: 0.3026050287998175
Energy: 11.756295008561795
Energy: 13.2739750132504
Energy: 20.520775513474558
Energy: 18.280088987689897
Energy: 13.703317795975321
Energy: 0.2930568798693234
Energy: 24.406131895111457
Energy: 13.175840835932172
Energy: 12.30521305633069
Energy: 0.2871516615490103
Energy: 20.538526171433922
Energy: 13.051770171127107
Energy: 19.13218373371801
Energy: 16.159977943865798
Energy: 0.28992417641495083
Energy: 0.2873110618694341
Energy: 16.110210744310503
Energy: 0.31130359612486364
Energy: 15.84436499862972
Energy: 0.4956637804820474
Energy: 14.95192104003752
Energy: 14.139476651574592
Energy: 0.3032045281173492
Energy: 12.791738252515785
Energy: 16.76066390960226
Energy: 14.297193432579375
Energy: 0.30283544827702663
Energy: 0.31023096666869787
Energy: 14.090951000987978
Energy: 0.301985804539729
Energy: 0.31007269370725776
Energy: 0.2989868475131789
Energy: 5.941448720332517
Energy: 6.032885665880318
Energy: 0.2982339035380351
Energy: 5.95811984368121
Energy: 0.2933627434277688
Energy: 0.2976466230272956
Energy: 0.29786323679779797
Energy: 0.2981273198307233
Energy: 0.2979113367889052
Energy: 6.265443005606783
Energy: 0.29940908016952666
Energy: 0.29823064679310296
Energy: 11.194649495886617
Energy: 18.722407141950033
Energy: 0.29873798300924415
Energy: 11.780711933519873
Energy: 14.505274746336402
Energy: 0.2886268637616703
Energy: 12.04405236738805
Energy: 11.26002014441798
Energy: 0.2885234929920464
Energy: 12.682421910501024
Energy: 18.980483524029914
Energy: 24.408381684324084
Energy: 17.42473934318756
Energy: 19.532325839931097
Energy: 24.23845965231444
Energy: 0.32504264944158134
Energy: 22.711835742101247

minimum gb energy = 0.2857905923047025 eV
minimum distance =  1.14437812067936 Angstroms
sigma value = 81


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

Energy: 28.326550562479852
Energy: 15.765519449551045
Energy: 0.30417553314105705
Energy: 27.944826916464454
Energy: 9.629793930432134
Energy: 0.3399681173207272
Energy: 13.851672783599541
Energy: 8.836450173340467
Energy: 8.581323198916872
Energy: 11.479982440590929
Energy: 7.480904981135487
Energy: 11.297821506928672
Energy: 6.671691334639783
Energy: 0.3147400056711503
Energy: 0.3151886228683113
Energy: 6.7828044108105905
Energy: 0.31411567815378744
Energy: 8.066800004249593
Energy: 0.3354680685663105
Energy: 0.30173912221404936
Energy: 7.765420615835144
Energy: 4.998491968167345
Energy: 0.31400555398141977
Energy: 7.453933488566836
Energy: 0.34277547987578694
Energy: 0.29956312906041527
Energy: 0.3346679324250044
Energy: 0.30154634647170303
Energy: 0.3090808950963161
Energy: 0.29957032554085067
Energy: 9.074188444539569
Energy: 17.984521743181283
Energy: 0.3125519480166553
Energy: 9.169046331815865
Energy: 18.44082366099867
Energy: 0.32037093227780555
Energy: 22.98622230679848
Energy: 0.2976019955013774
Energy: 0.3190921556971718
Energy: 22.971648937699385
Energy: 0.3110906202025857
Energy: 20.126875685653893
Energy: 0.4297219715441833
Energy: 22.388817980013954
Energy: 22.99473709922155
Energy: 0.30211606898031973
Energy: 20.098970488164866
Energy: 0.3113749992576928
Energy: 20.029403220487225
Energy: 0.3271165311176779
Energy: 0.31994842761506204
Energy: 19.80416439879772
Energy: 0.30793125813153827
Energy: 0.3349295455815753
Energy: 0.34102782837857293
Energy: 25.72028234587622
Energy: 0.3250748489459951
Energy: 0.333250658710522
Energy: 26.78476844843413
Energy: 0.3257554884049886
Energy: 0.34401238213597146
Energy: 0.32737738763081475
Energy: 0.32751394464549327
Energy: 0.32072285494648023
Energy: 0.3105777642649211
Energy: 0.3251994913815444
Energy: 0.3320013127023619
Energy: 0.3270328680457974
Energy: 7.375383080616075
Energy: 0.32536297148598364
Energy: 0.308118135629761
Energy: 7.715619054199499
Energy: 0.33617121177641274
Energy: 7.189910937361396
Energy: 7.7111668503793345
Energy: 0.3139238866590155
Energy: 6.28721053242802
Energy: 0.3124747381664721
Energy: 0.34805726973135304
Energy: 0.3210042442020213
Energy: 0.3193070644954931
Energy: 0.3340287631225228
Energy: 0.33457889484155656
Energy: 0.31980338426351645
Energy: 19.976299514840704
Energy: 0.34554143156528977
Energy: 0.36271935017186957
Energy: 19.861481862521764
Energy: 9.316817723325453
Energy: 0.3495396164668551
Energy: 0.34380581601041255
Energy: 0.3494105766200243
Energy: 0.3502520855025911
Energy: 0.3428270885332858
Energy: 0.3493609369139875
Energy: 0.3508106107261573
Energy: 18.60631528752092
Energy: 0.30192772604735507
Energy: 0.3103107099481753
Energy: 19.458768164579116
Energy: 0.3018646785331162
Energy: 0.3109757348245397
Energy: 0.3305121577550896
Energy: 22.989584409281417
Energy: 22.15087662840417
Energy: 0.3518941724287176
Energy: 22.894362260943275
Energy: 20.58344892826719
Energy: 23.87382644566798
Energy: 9.77391983207266
Energy: 0.3129693436052935
Energy: 23.329915868262358
Energy: 8.47650077521879
Energy: 0.28578630617992523
Energy: 25.506273682135692
Energy: 9.744297022553718
Energy: 0.32245523190417785
Energy: 25.04655751402712
Energy: 8.156299217767254
Energy: 0.28598348608659335
Energy: 0.3306597339257273
Energy: 7.589203954895958
Energy: 7.520964976777865
Energy: 0.3515281770809877
Energy: 7.641574458469513
Energy: 7.5302508615593045
Energy: 6.593770343991373
Energy: 0.3150296534916357
Energy: 0.3127725132389174
Energy: 7.002389957123148
Energy: 0.3158257986264566
Energy: 0.31318629232960465
Energy: 0.3391114040017879
Energy: 8.199644082233474
Energy: 0.3464025694773621
Energy: 0.338532076750642
Energy: 8.772782383072897
Energy: 0.3439759415398443
Energy: 8.316358785757842
Energy: 19.698104469118213
Energy: 0.35057903157319226
Energy: 8.685513400151532
Energy: 20.02532797311589
Energy: 0.35656636229450994
Energy: 0.34661937679141613
Energy: 0.33035706961782463
Energy: 0.32964033335785525
Energy: 0.3331354756132407
Energy: 0.33578360604614615
Energy: 0.3303232784117211
Energy: 0.4066646803434681
Energy: 20.561370541364884
Energy: 22.80364742511172
Energy: 0.30152916795703183
Energy: 18.29933869424512
Energy: 22.79888185233767
Energy: 0.3497075688594836
Energy: 19.954361086779436
Energy: 22.182578380620654
Energy: 0.34128265532988156
Energy: 0.38832281480600955
Energy: 22.802349943988595
Energy: 0.34406383579233785
Energy: 0.3267597724893415
Energy: 0.32360429891138065
Energy: 0.3215369008285844
Energy: 0.3102466680897254
Energy: 0.3248016391135976
Energy: 0.3366743214808144
Energy: 26.03476872105955
Energy: 0.32416017337166514
Energy: 0.32939664876020563
Energy: 27.172448802687722
Energy: 0.32557787668408056
Energy: 0.3353569808001393
Energy: 0.319366792826658
Energy: 0.33701267574137134
Energy: 0.3149883580623702
Energy: 0.3079595940287115
Energy: 0.3339335988653229
Energy: 0.3363574064543139
Energy: 7.766947807144114
Energy: 7.986894861304757
Energy: 0.3151692560808368
Energy: 7.062430730950131
Energy: 0.3026082002360098
Energy: 8.506995769051722
Energy: 0.28632513705066487
Energy: 6.503834540680666
Energy: 8.44868389091267
Energy: 0.3064191964150744
Energy: 7.426801309351664
Energy: 19.519233480185804
Energy: 0.2863372075356527
Energy: 0.31425107998618984
Energy: 19.379977202066453
Energy: 0.2860503198847512
Energy: 0.3461795953558882
Energy: 17.23109230653914
Energy: 0.317076330969516
Energy: 0.3500278203394964
Energy: 0.3036257963759059
Energy: 0.3103205624961859
Energy: 0.3125360315224407
Energy: 0.3403069284673888
Energy: 22.81586304385916
Energy: 22.74492561814025
Energy: 0.3407717435601918
Energy: 0.3013193910248748
Energy: 21.11801108888208
Energy: 0.3797112950163579
Energy: 0.3019652815370291
Energy: 0.30194094938280525
Energy: 19.156202928356674
Energy: 0.30192672193561126
Energy: 23.024932505859535
Energy: 14.554322089447496
Energy: 16.617574103002482
Energy: 0.31786642869423876
Energy: 12.008192266450203
Energy: 16.197553042250636
Energy: 13.041070730448192
Energy: 28.22758809735717
Energy: 13.39569968122107
Energy: 0.3045814850933332
Energy: 27.85089427580346
Energy: 9.618246405419569
Energy: 0.34346226545833414

minimum gb energy = 0.28578630617992523 eV
minimum distance =  2.5916625780223 Angstroms
sigma value = 43


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

Energy: 13.272056898196851
Energy: 31.333954311557576
Energy: 18.529720882256733
Energy: 13.073682273185055
Energy: 28.540689670829405
Energy: 10.147939903543538
Energy: 29.891115605800852
Energy: 16.953239229844492
Energy: 21.89747410165952
Energy: 29.701163826697567
Energy: 16.003648185992137
Energy: 24.697339280452617
Energy: 7.550444827348394
Energy: 16.74366002711936
Energy: 15.15443605184622
Energy: 0.3064135399423203
Energy: 18.148179747722807
Energy: 17.568505277515328
Energy: 0.289005141371074
Energy: 12.846914162360827
Energy: 16.122831715848605
Energy: 7.289257425911083
Energy: 14.130778039561797
Energy: 14.799249317146295
Energy: 6.581768223878755
Energy: 0.28859979431488597
Energy: 0.3124319725576847
Energy: 6.605111811538878
Energy: 0.28845541739696295
Energy: 0.29802033110914916
Energy: 9.02431695133037
Energy: 0.2885278191029022
Energy: 0.3096384198508008
Energy: 8.945671599258581
Energy: 0.288588829093709
Energy: 8.304190297370322
Energy: 16.097292937315483
Energy: 0.28807349859618525
Energy: 0.28813167914668764
Energy: 15.839469806951413
Energy: 0.28807360716838565
Energy: 11.555507080459584
Energy: 13.247325157825722
Energy: 14.990009625993821
Energy: 18.846543214066994
Energy: 13.012081183262948
Energy: 12.738840533958125
Energy: 19.689475664893113
Energy: 14.373264631158515
Energy: 20.219269765125766
Energy: 19.376081817286394
Energy: 14.398080275204167
Energy: 20.41935248280929
Energy: 18.036425163673634
Energy: 23.219717249580864
Energy: 17.53582577141849
Energy: 15.307594230187165
Energy: 24.803498751511697
Energy: 18.36464736509855
Energy: 12.555359346827737
Energy: 0.2894005545566459
Energy: 21.906817775020226
Energy: 20.590426578762987
Energy: 21.150019783922982
Energy: 13.358097879033238
Energy: 30.460966123906932
Energy: 10.340336646732714
Energy: 18.375835590340753
Energy: 21.354481548652014
Energy: 19.635583364511383
Energy: 16.530093524167864
Energy: 23.40659274084107
Energy: 12.181610680555835
Energy: 18.131331697774925
Energy: 15.66737382204538
Energy: 11.929910131893804
Energy: 15.389897442821583
Energy: 18.864333078132272
Energy: 0.28937362185630205
Energy: 7.433670803509967
Energy: 7.680192446333272
Energy: 0.29076796678368594
Energy: 7.28905637896462
Energy: 0.31760690531656055
Energy: 0.30167077347772975
Energy: 14.181860635324343
Energy: 10.454738134663634
Energy: 0.3016851403007691
Energy: 0.2921449106710636
Energy: 9.23046452964914
Energy: 0.289383835323533
Energy: 0.2948885595538468
Energy: 0.2889437064560256
Energy: 0.28937202598084305
Energy: 0.3212168577486225
Energy: 0.2891679105063519
Energy: 0.29236725511465284
Energy: 18.393561827623756
Energy: 15.968091554563566
Energy: 0.29235326652702237
Energy: 0.30799841643740195
Energy: 13.414535693842954
Energy: 0.2904958750456255
Energy: 12.477888724299968
Energy: 11.940800278265785
Energy: 0.30018890147576577
Energy: 13.020280299631791
Energy: 11.540277457414147
Energy: 10.97603725907534
Energy: 20.972542179025787
Energy: 24.177587822208167
Energy: 10.789929014638473
Energy: 17.688328866680212
Energy: 16.114413396077925
Energy: 11.541340502031254
Energy: 24.20487377942355
Energy: 27.81454803958543
Energy: 11.339739674509277
Energy: 20.413682438626587
Energy: 18.85765346676792
Energy: 0.2892540425136787
Energy: 26.603069873269668
Energy: 25.684681715454932
Energy: 0.3056458126879444
Energy: 20.80706954208207
Energy: 24.49432814295604
Energy: 8.69090927978742
Energy: 18.123485347165666
Energy: 16.07277605919927
Energy: 22.481857444578406
Energy: 0.28348512565016937
Energy: 13.168608835796721
Energy: 8.278872028067786
Energy: 20.974973056917353
Energy: 18.96358388011331
Energy: 8.513298533751838
Energy: 22.696427125468748
Energy: 16.029848321134352
Energy: 12.681990000084545
Energy: 9.306863079480268
Energy: 14.170675163791353
Energy: 12.44295561907455
Energy: 8.343997613411835
Energy: 14.982614855854322
Energy: 15.1170121114102
Energy: 0.2885005194781184
Energy: 8.008584228297268
Energy: 14.969840025089377
Energy: 0.2885082206066319
Energy: 9.229419203617327
Energy: 12.332361181513786
Energy: 0.28994457900881193
Energy: 0.2899409958958055
Energy: 12.15481060755322
Energy: 0.2897031629119003
Energy: 0.2950622188536456
Energy: 11.403397407770498
Energy: 0.2893859994348778
Energy: 0.2894444457161318
Energy: 11.301642075726472
Energy: 0.2893930340666605
Energy: 0.2893073882385353
Energy: 0.3285696064434759
Energy: 20.224389048879928
Energy: 19.239936574106103
Energy: 0.31928202254356086
Energy: 20.92961144846259
Energy: 15.019750442294837
Energy: 0.3069286558078405
Energy: 18.088825927301386
Energy: 16.182814846488235
Energy: 17.382998877303198
Energy: 0.28882508699927417
Energy: 13.275166153366774
Energy: 25.274675639818255
Energy: 20.67133889212981
Energy: 19.953662179684024
Energy: 25.11847790639123
Energy: 19.952028753182397
Energy: 20.07837917127432
Energy: 12.98482316586037
Energy: 31.193890747813555
Energy: 18.40294955712154
Energy: 12.691193776404054
Energy: 28.23516321081657
Energy: 19.32548112164075

minimum gb energy = 0.28348512565016937 eV
minimum distance =  1.03489507270116 Angstroms
sigma value = 57


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

Energy: 0.32380145687534906
Energy: 32.77382365702958
Energy: 21.97781612100593
Energy: 0.4634605032634755
Energy: 31.536572124486153
Energy: 24.31652633365437
Energy: 32.0002351934674
Energy: 20.82613945128795
Energy: 23.544061375653385
Energy: 31.638646416692545
Energy: 19.113766617075047
Energy: 26.02283959589179
Energy: 13.926344516094643
Energy: 0.2799282260906196
Energy: 0.28002630779630927
Energy: 14.351463567957381
Energy: 0.28761428581167064
Energy: 0.2814519809155209
Energy: 12.058688745350969
Energy: 0.2801645073607237
Energy: 0.28037854533213147
Energy: 12.432542244457313
Energy: 0.3084094222396364
Energy: 16.617713880336574
Energy: 12.80793547646059
Energy: 0.2926945176671881
Energy: 0.2920004992442616
Energy: 12.832162034000127
Energy: 0.2925842730582173
Energy: 13.32904302210634
Energy: 0.287911163380739
Energy: 0.2939005921226281
Energy: 14.918760533156389
Energy: 14.7846004247057
Energy: 0.2977344827344364
Energy: 15.217043613966764
Energy: 25.003319218211885
Energy: 0.29389030243520275
Energy: 0.2936013204956378
Energy: 24.596817207063832
Energy: 0.2956390530467627
Energy: 0.29366228607170136
Energy: 0.30520655732299956
Energy: 23.24324144837807
Energy: 24.286376708686884
Energy: 0.293471814110432
Energy: 0.29840883335510954
Energy: 25.82399385767895
Energy: 20.597692432310108
Energy: 23.68420189067366
Energy: 23.09296632392344
Energy: 20.793657930688113
Energy: 24.595826434361886
Energy: 0.29865375307239045
Energy: 24.40511209528833
Energy: 0.2923980120000467
Energy: 0.29222291753051793
Energy: 25.326294716954663
Energy: 0.2923703403590603
Energy: 0.3168103092497916
Energy: 22.771267867658917
Energy: 0.2936917976525524
Energy: 31.473838088564694
Energy: 23.750051539655658
Energy: 0.29319207211506415
Energy: 30.29406803169359
Energy: 24.358974574028117
Energy: 30.71045359708706
Energy: 32.333323443204876
Energy: 24.058827654249434
Energy: 27.78797009371796
Energy: 20.859466676273136
Energy: 25.351708111555535
Energy: 32.02124250589331
Energy: 21.143277016866804
Energy: 25.33747841561226
Energy: 28.09489238279264
Energy: 23.20112165092064
Energy: 21.316111248285143
Energy: 17.724995185910963
Energy: 18.498223134882704
Energy: 21.154283209437132
Energy: 17.453790027011582
Energy: 18.70556914244387
Energy: 14.00083761509233
Energy: 0.2810603063535599
Energy: 0.285103975868959
Energy: 14.54941110533323
Energy: 0.28217253651985225
Energy: 0.28570442055163375
Energy: 0.29511646096977695
Energy: 17.149640105407943
Energy: 15.793434987096912
Energy: 0.29521606609478823
Energy: 17.58153556105232
Energy: 14.406028497316226
Energy: 14.416108125307794
Energy: 0.2944083251669052
Energy: 15.456885745718173
Energy: 14.55640813054478
Energy: 0.2946665813393644
Energy: 14.992627741251685
Energy: 15.52994545947857
Energy: 0.29586641425116705
Energy: 0.2922090540738913
Energy: 15.504614060511123
Energy: 0.29768939534708877
Energy: 13.70879218034356
Energy: 26.319960020913516
Energy: 0.2946091370178991
Energy: 0.29338547105526225
Energy: 26.30189059870979
Energy: 0.29430651514438777
Energy: 22.842675753938153
Energy: 25.955130455314116
Energy: 22.401853982888635
Energy: 23.040895759711212
Energy: 26.035763684026303
Energy: 0.3181389664890355
Energy: 24.081788326495026
Energy: 0.2994074654146238
Energy: 30.49860674674577
Energy: 28.59584872294192
Energy: 0.29962717311831555
Energy: 30.944406453385003
Energy: 26.34875314952623
Energy: 25.137773594784917
Energy: 0.29265578463144004
Energy: 0.2932624039998478
Energy: 26.125389476250223
Energy: 0.29259415349272233
Energy: 0.29261927643168784
Energy: 27.931600228157603
Energy: 29.484987393028884
Energy: 29.774702002059893
Energy: 27.886375109801506
Energy: 29.6479897486331
Energy: 29.847658155824526
Energy: 25.355119126844468
Energy: 32.305600959479385
Energy: 21.20743954513204
Energy: 25.340133686136483
Energy: 30.643393567570953
Energy: 23.287375173562026

minimum gb energy = 0.2799282260906196 eV
minimum distance =  1.23791997989194 Angstroms
sigma value = 17


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

Energy: 0.3240316906286601
Energy: 30.8262428875631
Energy: 25.47722289362162
Energy: 0.3061570199891043
Energy: 27.957283401714108
Energy: 0.31401881915488505
Energy: 30.648667593803346
Energy: 23.2148499928911
Energy: 25.540524075961443
Energy: 30.348483207597866
Energy: 21.561431750586657
Energy: 27.18978248842645
Energy: 17.653504418371952
Energy: 18.186020421728635
Energy: 16.914441529713752
Energy: 18.747277485267457
Energy: 19.18567817627477
Energy: 15.589274145611434
Energy: 14.506105749401907
Energy: 16.989872776606745
Energy: 15.840587363324174
Energy: 15.382037801473551
Energy: 17.885009583603576
Energy: 23.171487324259534
Energy: 15.200720953450785
Energy: 12.140187774020955
Energy: 12.537118742082567
Energy: 15.15971101797953
Energy: 11.87271557953228
Energy: 13.202352714273665
Energy: 0.2846415213920866
Energy: 12.822315910327445
Energy: 15.107489176940373
Energy: 0.2662997845215982
Energy: 11.149306611227889
Energy: 0.2653051308575895
Energy: 13.06263792158035
Energy: 0.2792993627841543
Energy: 0.2790719083762309
Energy: 12.82832732080975
Energy: 0.28027168766787736
Energy: 0.2907412987295972
Energy: 0.2858337377127543
Energy: 12.605911892494317
Energy: 11.931403381113181
Energy: 0.2952649072286201
Energy: 12.214364077874503
Energy: 13.104275366792635
Energy: 0.28002008048867505
Energy: 11.804035272837787
Energy: 0.2931345909919517
Energy: 0.280431270141355
Energy: 12.658587057473257
Energy: 0.2787229890362535
Energy: 0.27891889985281754
Energy: 20.07168759754084
Energy: 18.81952317688561
Energy: 0.2790118861237816
Energy: 20.193941075059882
Energy: 17.51232763659737
Energy: 0.34700613514354134
Energy: 16.328680795163404
Energy: 16.128494481969096
Energy: 0.27945127536484143
Energy: 16.572058300756133
Energy: 0.2812175691296885
Energy: 0.27976848577869656
Energy: 18.106728015162375
Energy: 20.70108090944131
Energy: 0.285148412468978
Energy: 16.395033488830776
Energy: 24.058672827327772
Energy: 0.28425066731578924
Energy: 21.179802746879794
Energy: 24.925978688758672
Energy: 0.3020439511080227
Energy: 18.797626286454587
Energy: 27.741294535021808
Energy: 20.046640823233528
Energy: 30.298284970350156
Energy: 29.106107716406814
Energy: 20.721136974952824
Energy: 31.230158433421092
Energy: 27.000949230106425
Energy: 28.783983497345506
Energy: 19.38970366506965
Energy: 18.16438708628497
Energy: 29.641692628661897
Energy: 19.685730827713442
Energy: 16.41199656257383
Energy: 24.459881002773397
Energy: 32.46300795241921
Energy: 32.17058062354443
Energy: 25.014112277767122
Energy: 32.50279671505097
Energy: 30.770369139171585
Energy: 0.32240921782537163
Energy: 28.65994578656081
Energy: 22.716945697845894
Energy: 0.3223180958500445
Energy: 25.83760979406438
Energy: 25.797700859945117

minimum gb energy = 0.2653051308575895 eV
minimum distance =  1.08954143696746 Angstroms
sigma value = 17


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

Energy: 18.187502145319122
Energy: 32.18969413608251
Energy: 12.78899136543754
Energy: 17.94137105664242
Energy: 30.028909669035425
Energy: 14.445439903572076
Energy: 31.74575743488331
Energy: 24.950981447102738
Energy: 26.84637178927131
Energy: 31.594538689133458
Energy: 23.015883205936934
Energy: 29.03078262919674
Energy: 19.108982007816326
Energy: 0.25108121911307457
Energy: 23.50742702632808
Energy: 19.784609772977447
Energy: 0.27705804161555575
Energy: 19.982741931028464
Energy: 16.981056165873255
Energy: 23.510932387044264
Energy: 22.284162886703488
Energy: 18.243780156588812
Energy: 23.81905465489476
Energy: 18.67995862450856
Energy: 19.494520509382635
Energy: 13.989075793380467
Energy: 17.024116805003743
Energy: 19.425207061842656
Energy: 13.36935285475249
Energy: 18.414602679372056
Energy: 18.025400779414056
Energy: 18.2960178831763
Energy: 12.84827256243396
Energy: 17.79899679699551
Energy: 15.051943184755226
Energy: 14.408766865368392
Energy: 14.919216228658309
Energy: 9.242072969851018
Energy: 0.2741086671111314
Energy: 14.713191456899459
Energy: 8.787881069175176
Energy: 12.351801376309515
Energy: 0.2672109192908107
Energy: 0.27004905318818645
Energy: 16.35792482812848
Energy: 9.778956552909662
Energy: 0.2840329200706617
Energy: 12.658267970243687
Energy: 0.25583343251681107
Energy: 13.898647820119566
Energy: 11.324619436665222
Energy: 0.256382473693979
Energy: 14.862630572683738
Energy: 10.086404876133793
Energy: 8.81388922722497
Energy: 0.2728325680397482
Energy: 0.2713370956484805
Energy: 8.863424764926604
Energy: 0.28267297868963304
Energy: 0.2710313556666563
Energy: 11.501623660576703
Energy: 0.2542159959397911
Energy: 0.2699352313060461
Energy: 11.409420667777404
Energy: 0.25449651692573316
Energy: 10.14448926729884
Energy: 16.401643442142294
Energy: 0.2543402798090347
Energy: 0.25429058407425437
Energy: 16.109592594571875
Energy: 0.25613880772706443
Energy: 0.2668304851511696
Energy: 17.679655931417688
Energy: 0.26756398154948624
Energy: 15.930074625415742
Energy: 17.536887269129796
Energy: 0.26865636727950415
Energy: 15.801928779160251
Energy: 0.27456301741476546
Energy: 16.145549879013902
Energy: 0.26947675511340957
Energy: 0.2752201460631571
Energy: 17.119302631358327
Energy: 0.27412833689211924
Energy: 14.118367102405365
Energy: 0.274646629985294
Energy: 0.2709362355459585
Energy: 14.738433956162813
Energy: 0.2809083334438047
Energy: 23.68151734366304
Energy: 0.3758050544284141
Energy: 17.685052128170856
Energy: 16.81431989602238
Energy: 0.27459657116313124
Energy: 18.515551832675552
Energy: 16.119241951088476
Energy: 16.36037788401957
Energy: 23.092651729631406
Energy: 25.098942468139224
Energy: 16.050164258207282
Energy: 21.27162395785919
Energy: 12.962936903002038
Energy: 16.009358517752705
Energy: 23.638302524784947
Energy: 25.60852206638378
Energy: 15.735941139923606
Energy: 21.948391610947017
Energy: 13.04271931754482
Energy: 21.843644255519465
Energy: 31.04507035551567
Energy: 29.79289388164373
Energy: 22.41983914758454
Energy: 18.839761399076192
Energy: 27.55596841929913
Energy: 26.222746849891145
Energy: 0.2743224202258272
Energy: 0.27406591326531105
Energy: 27.329241819950106
Energy: 0.27421238714988516
Energy: 23.341363634372136
Energy: 26.05758810775334
Energy: 29.313167352132417
Energy: 28.60582697915804
Energy: 26.197827442860905
Energy: 30.047275462993454
Energy: 28.211792952295124
Energy: 17.28624456862183
Energy: 31.18316150870761
Energy: 25.62465484970388
Energy: 17.106876124273533
Energy: 28.907416831939955
Energy: 13.56417827486669
Energy: 14.625948244068939
Energy: 28.726454468738513
Energy: 30.9826827649126
Energy: 14.397545464427953
Energy: 26.00547456075149
Energy: 25.58930333353543
Energy: 19.144173503321408
Energy: 19.867641890620494
Energy: 25.323107949053895
Energy: 19.433982384872298
Energy: 22.124550699175273
Energy: 23.598435596172465
Energy: 19.443171216836774
Energy: 0.2561530681436802
Energy: 23.71950583011293
Energy: 20.279955609542775
Energy: 0.2512868399773301
Energy: 22.88137431472991
Energy: 14.037303800468802
Energy: 18.731424862581527
Energy: 18.043147172645433
Energy: 14.091180853822499
Energy: 19.304844581006954
Energy: 17.476496275350826
Energy: 17.762848853054567
Energy: 18.449979957527415
Energy: 19.564403999536886
Energy: 17.56521909584839
Energy: 15.567980296195088
Energy: 14.297977474169604
Energy: 13.799149202245802
Energy: 12.439765638664358
Energy: 14.305506006455966
Energy: 13.610216585701789
Energy: 10.860557748514177
Energy: 16.767136019935485
Energy: 0.3268873275394972
Energy: 15.01511724124437
Energy: 11.928108813191866
Energy: 0.2793173092504179
Energy: 15.843231690990015
Energy: 11.082180202560311
Energy: 0.2542995678487321
Energy: 0.27022381787259886
Energy: 15.157405536818274
Energy: 0.2543742953702489
Energy: 0.28419810996287526
Energy: 11.959055172159106
Energy: 0.2563924383129722
Energy: 0.27973393879468045
Energy: 0.27023682603448185
Energy: 0.256650330654173
Energy: 0.2895413621813934
Energy: 0.26464594344775433
Energy: 11.687849473206676
Energy: 0.2797667427601618
Energy: 0.26996035192627355
Energy: 11.655620293080759
Energy: 0.2667447644223532
Energy: 10.964413540846937
Energy: 0.28299400514128686
Energy: 0.2553522238917201
Energy: 0.2543524699986426
Energy: 0.2820571079778109
Energy: 0.2559933921634487
Energy: 0.25436516051854785
Energy: 18.694017243845014
Energy: 0.26500342644393715
Energy: 15.31823877481413
Energy: 18.520164396540913
Energy: 0.25410968619174534
Energy: 16.132692566999587
Energy: 0.2774389894333641
Energy: 0.26949440327810537
Energy: 0.267049705983682
Energy: 0.2775691766360088
Energy: 0.2761977277004494
Energy: 0.27600873275303317
Energy: 0.27415527679901525
Energy: 0.2713687464591626
Energy: 23.61599567079514
Energy: 0.27423674672456033
Energy: 0.28629925221237273
Energy: 20.102196840894823
Energy: 0.3754913658377782
Energy: 23.80211137906422
Energy: 20.8673195973681
Energy: 0.2763815878987687
Energy: 23.934862147094172
Energy: 19.073550243185
Energy: 13.087787369086076
Energy: 20.0380640974221
Energy: 22.167295747123386
Energy: 26.061407277770815
Energy: 18.2161492346067
Energy: 23.918634296264162
Energy: 17.962525883502646
Energy: 25.20481125290797
Energy: 12.830115501169901
Energy: 17.74226975445369
Energy: 22.977976404376438
Energy: 14.365109618221997
Energy: 23.881645350106336
Energy: 25.474656543690827
Energy: 24.874894086968556
Energy: 23.97838165450622
Energy: 25.56809145659547
Energy: 24.550537733060544
Energy: 25.51602872528378
Energy: 0.2667108865562991
Energy: 23.716989294659655
Energy: 26.537504225125563
Energy: 0.2831243284214289
Energy: 21.041733532321977
Energy: 23.939620637357265
Energy: 21.76593273482482
Energy: 19.036677837445172
Energy: 24.459157748776743
Energy: 22.86610347350892
Energy: 30.687663975983938
Energy: 14.001946037990269
Energy: 28.67882294207696
Energy: 30.86243143982843
Energy: 13.802189585627298
Energy: 25.96562708159523
Energy: 25.372241457828892

minimum gb energy = 0.25108121911307457 eV
minimum distance =  1.12206098377876 Angstroms
sigma value = 57


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

Energy: 11.166450492885442
Energy: 31.792234451743298
Energy: 18.676166329133892
Energy: 11.001199808353157
Energy: 28.750698491275344
Energy: 19.967882987013763
Energy: 31.459742147505203
Energy: 24.81935190321775
Energy: 26.17689042263595
Energy: 31.253175625126723
Energy: 23.682200973351428
Energy: 27.86960827665517
Energy: 21.149561355696754
Energy: 13.710656004457876
Energy: 12.311003589288351
Energy: 22.078676796241542
Energy: 14.902524085557435
Energy: 21.84074370739211
Energy: 19.849354329980347
Energy: 12.608147704292525
Energy: 22.24486519639092
Energy: 20.64374720915889
Energy: 13.59729753279163
Energy: 21.132875135941738
Energy: 17.517162590117305
Energy: 17.38842583799838
Energy: 18.349999548093372
Energy: 17.275903992266723
Energy: 16.82451616440703
Energy: 19.70091083085064
Energy: 11.004948207613579
Energy: 20.33582264745145
Energy: 18.59877874710614
Energy: 10.84861667185901
Energy: 17.591590818823043
Energy: 19.91113054123403
Energy: 18.04385436967341
Energy: 11.370500029082367
Energy: 13.856631621256305
Energy: 17.738234356023078
Energy: 10.922657758320852
Energy: 14.574300475060662
Energy: 8.675600896943457
Energy: 14.818950586103016
Energy: 13.269303703724827
Energy: 11.535343673778105
Energy: 16.173421223727463
Energy: 17.234369836132753
Energy: 0.24551254470970518
Energy: 17.279957218681467
Energy: 16.21686138347062
Energy: 0.24625547980321932
Energy: 12.79374961984471
Energy: 13.747905683249309
Energy: 13.479934301950127
Energy: 0.2633223249697781
Energy: 9.035805139972503
Energy: 13.277062371816834
Energy: 0.2810086265924757
Energy: 9.555955258597782
Energy: 11.211069178381535
Energy: 8.800428284731948
Energy: 10.157615445534644
Energy: 11.07491772407391
Energy: 0.2347187489694162
Energy: 13.577962400186111
Energy: 0.24648187138152516
Energy: 0.23911626714996342
Energy: 0.23450466375704834
Energy: 0.24709123574105307
Energy: 0.2378987299012112
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Energy: 0.24539719325295464
Energy: 10.186555269043364
Energy: 9.932361764673969
Energy: 0.2362917338622444
Energy: 10.503312306481183
Energy: 0.2501211722229748
Energy: 0.23444769231493873
Energy: 0.26545014003841794
Energy: 0.23430945473687545
Energy: 0.23513189996462147
Energy: 0.2406481393364696
Energy: 0.23453702871411214
Energy: 0.2346057468843837
Energy: 16.672144526120793
Energy: 15.177988581703971
Energy: 0.23452854668564743
Energy: 18.01121510710614
Energy: 13.8807410830703
Energy: 0.2935023054511041
Energy: 0.24476516544824703
Energy: 0.2513525882512729
Energy: 0.281007144068553
Energy: 0.24955248531123478
Energy: 0.2508999758816732
Energy: 0.23513453492531974
Energy: 13.301705038254049
Energy: 15.199722341612535
Energy: 0.23566719413748619
Energy: 0.24917924164124008
Energy: 19.1093139338848
Energy: 20.61582409905409
Energy: 14.076307508889197
Energy: 15.491845966435557
Energy: 20.556734140493212
Energy: 0.24801598576473716
Energy: 18.969679573787857
Energy: 0.26777609130408825
Energy: 20.518434422186907
Energy: 19.315495929849938
Energy: 0.2684233684070961
Energy: 21.469921426456946
Energy: 18.063574364870398
Energy: 17.773684459616632
Energy: 15.853674815053822
Energy: 13.88723599354331
Energy: 18.26111796052919
Energy: 17.26115641934039
Energy: 22.856365074088934
Energy: 19.93382453202835
Energy: 19.632190460483848
Energy: 19.413013349498
Energy: 19.949351060904043
Energy: 19.656945293764586
Energy: 19.23675771639467
Energy: 0.23488152311617436
Energy: 24.834106504256997
Energy: 15.883021064966567
Energy: 0.277019689661475
Energy: 21.73141066983362
Energy: 19.570267589955822
Energy: 20.064357415838902
Energy: 22.759104384184372
Energy: 25.628615714962798
Energy: 19.99743522438016
Energy: 20.8769422773418
Energy: 27.915696451201494
Energy: 23.369099649103475
Energy: 21.77218835106107
Energy: 31.657816404549894
Energy: 23.959637720739636
Energy: 22.263441008293977
Energy: 30.320577714765903
Energy: 27.45991430860923
Energy: 15.360230993862848
Energy: 13.470427540475411
Energy: 28.53571001978961
Energy: 16.874076049101415
Energy: 22.50222750825255
Energy: 27.22702840226253
Energy: 28.311931523135506
Energy: 28.475197122094922
Energy: 27.201588007801515
Energy: 28.472740170566492
Energy: 27.98154659319172
Energy: 10.877845637209466
Energy: 31.352845486313406
Energy: 18.073967181619015
Energy: 10.7245214114101
Energy: 28.16631788992504
Energy: 19.815259397074804

minimum gb energy = 0.23430945473687545 eV
minimum distance =  1.12877213387914 Angstroms
sigma value = 43


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

Energy: 10.877851207751931
Energy: 32.05932484921715
Energy: 22.078254364801396
Energy: 10.611858923830882
Energy: 28.992528626492344
Energy: 15.809260832609352
Energy: 31.698698682445816
Energy: 25.117994139802846
Energy: 26.47017981542813
Energy: 31.436641267114233
Energy: 24.106882602565943
Energy: 28.15090604661127
Energy: 21.86791965008876
Energy: 11.682914858541888
Energy: 18.72022863195634
Energy: 22.965660456443775
Energy: 14.023112737335817
Energy: 16.877434054807537
Energy: 20.77126091210485
Energy: 19.18400282514132
Energy: 17.818994578523807
Energy: 21.74961697915116
Energy: 11.649178963589714
Energy: 23.91068171476271
Energy: 21.645283452194846
Energy: 19.762824349094263
Energy: 20.931539877036776
Energy: 21.447304354437197
Energy: 19.040200679617463
Energy: 22.50957266535403
Energy: 10.671213482837887
Energy: 23.566279709516042
Energy: 21.966352678205542
Energy: 10.41431777923131
Energy: 20.579270582820943
Energy: 15.652387762164325
Energy: 21.40767481480772
Energy: 17.16188205629166
Energy: 17.950574139112145
Energy: 21.17761293151685
Energy: 16.46307599489595
Energy: 19.09305739621785
Energy: 15.49633951515958
Energy: 12.167720444167745
Energy: 19.518799721588014
Energy: 16.47494302388625
Energy: 14.539780709445106
Energy: 17.734337999655068
Energy: 10.053292995416978
Energy: 18.171991597936735
Energy: 20.58324093769243
Energy: 0.4692263728913864
Energy: 19.090935164753216
Energy: 18.965316161486733
Energy: 18.60891514809885
Energy: 12.750910523483116
Energy: 14.291771162495301
Energy: 18.479272584942898
Energy: 9.468947883096643
Energy: 15.983499462480308
Energy: 10.414839357680142
Energy: 15.421821553642653
Energy: 17.93629809269972
Energy: 10.179992943072108
Energy: 11.257360621125796
Energy: 15.490665810209741
Energy: 11.195169522327424
Energy: 7.223770460341061
Energy: 7.420140299105785
Energy: 9.720513986109463
Energy: 7.129803015878411
Energy: 7.727486140041733
Energy: 0.28083612020167503
Energy: 14.571689717986642
Energy: 16.702012582672943
Energy: 0.2815463131741478
Energy: 15.14189144063871
Energy: 14.834333789529808
Energy: 0.19692224091300237
Energy: 13.371420947623813
Energy: 11.169031961302531
Energy: 0.197679489577969
Energy: 14.606511872858077
Energy: 9.852455800824133
Energy: 12.211045125240583
Energy: 0.2011772328706762
Energy: 0.19910575742746656
Energy: 12.05500553602721
Energy: 0.19924780595968195
Energy: 8.203239252862208
Energy: 10.527904526175256
Energy: 0.19318885610227343
Energy: 9.589419806937139
Energy: 14.180210310091091
Energy: 0.19327662705565596
Energy: 11.1464929210023
Energy: 0.1977047714513376
Energy: 0.19321661889867373
Energy: 0.19312311509913488
Energy: 0.19832827548198617
Energy: 0.19313590797079727
Energy: 0.20074594928673728
Energy: 0.27870718031244496
Energy: 11.279673207877618
Energy: 8.363864375763654
Energy: 0.27821705392491375
Energy: 11.8759433255761
Energy: 0.22248149460781713
Energy: 0.19312285016262593
Energy: 0.24472130165398864
Energy: 0.1931204564267691
Energy: 0.19381297068153291
Energy: 0.22186378804160364
Energy: 0.19316734095501703
Energy: 0.27886201981771064
Energy: 15.573337774682106
Energy: 12.305232724414358
Energy: 0.27918372622597215
Energy: 15.93667243732808
Energy: 0.22528634953802434
Energy: 0.20557674908802567
Energy: 0.19700861712228934
Energy: 0.19674896810298428
Energy: 0.21846037841564278
Energy: 0.19697355136006822
Energy: 0.20050487445977386
Energy: 14.106442096482636
Energy: 0.1969779241883235
Energy: 14.019105126058687
Energy: 17.75539520782975
Energy: 0.19710604827354758
Energy: 15.378359834289357
Energy: 15.940881220662044
Energy: 0.20255713410601967
Energy: 11.138181494472986
Energy: 15.785963436054145
Energy: 0.2055940046849227
Energy: 14.11586046325233
Energy: 0.20480837952972408
Energy: 17.091030736934183
Energy: 15.713558215087184
Energy: 0.2055546689952729
Energy: 18.185329450444943
Energy: 14.33422930544317
Energy: 0.28497021367876585
Energy: 14.411146960285606
Energy: 20.36372617730172
Energy: 13.826711491939903
Energy: 15.02777045069898
Energy: 18.44535911641949
Energy: 16.180776846380798
Energy: 13.220033689718061
Energy: 13.475707693484944
Energy: 16.063454969046777
Energy: 13.179089046676177
Energy: 14.040889128183029
Energy: 10.385888181340368
Energy: 19.098113781421173
Energy: 21.813173645740882
Energy: 10.148637087390268
Energy: 16.41060251351342
Energy: 15.42995155720218
Energy: 22.537688028656103
Energy: 16.130792650687418
Energy: 17.65831019084848
Energy: 22.408403647760522
Energy: 15.145820699283156
Energy: 19.685926215335996
Energy: 16.666977303174686
Energy: 18.14057366283106
Energy: 24.538454291001873
Energy: 17.378023076277053
Energy: 19.05126708498739
Energy: 22.98880357035587
Energy: 18.861078700559094
Energy: 12.18902626001406
Energy: 19.49077202119472
Energy: 19.881045506314297
Energy: 14.55074402805988
Energy: 17.678783241655566
Energy: 25.372336693513216
Energy: 21.411347485478974
Energy: 22.009752823549118
Energy: 25.12062007461461
Energy: 20.523795984716585
Energy: 22.809283188388324
Energy: 10.717036103717113
Energy: 27.694494051923606
Energy: 21.98927672386891
Energy: 10.459050523152625
Energy: 24.572213963010626
Energy: 15.682680111068178
Energy: 21.69886488593773
Energy: 23.373077813125843
Energy: 24.804922061939877
Energy: 21.49759585410954
Energy: 22.465943604566167
Energy: 26.693852782450737
Energy: 24.396753427685194
Energy: 19.237075529971406
Energy: 17.87466565186754
Energy: 25.47575524653319
Energy: 11.704944230592584
Energy: 23.972837641083178
Energy: 25.40617569582198
Energy: 11.697349339095872
Energy: 18.69220793430143
Energy: 26.62519119064952
Energy: 14.036601998651207
Energy: 16.820952248122254
Energy: 31.924947658265424
Energy: 26.129479671737922
Energy: 27.25665289224051
Energy: 31.689409008217538
Energy: 25.32403416459105
Energy: 28.737050261458027

minimum gb energy = 0.1931204564267691 eV
minimum distance =  1.2184850766149 Angstroms
sigma value = 81


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

Energy: 0.005978187421735569
Energy: 62.278786549893724
Energy: 0.006422677682695284
Energy: 0.007123522359314761
Energy: 63.43176958301134
Energy: 0.006294631067959604
Energy: 61.72836140933586
Energy: 56.626524455088884
Energy: 57.15330881253443
Energy: 62.07236844512676
Energy: 54.72355073632002
Energy: 58.67471601632871
Energy: 55.86168856011997
Energy: 0.0062265885631495295
Energy: 0.0063646053814286575
Energy: 57.554194273847365
Energy: 0.006228397113180123
Energy: 0.024159973159017183
Energy: 54.22814671390626
Energy: 0.006243311827749273
Energy: 0.006251214646090613
Energy: 55.74528019713243
Energy: 0.006261704122792653
Energy: 0.024434857958317582
Energy: 0.024153074132828897
Energy: 57.34583604103771
Energy: 61.15211485635252
Energy: 0.024720520815405576
Energy: 54.671128938230254
Energy: 64.26636371126588
Energy: 0.006466937918779437
Energy: 62.259362697947026
Energy: 0.006240124439271587
Energy: 0.007459387208571327
Energy: 63.12492334399729
Energy: 0.006186143686601481
Energy: 63.05439597181964
Energy: 57.175535633783966
Energy: 58.63188044623168
Energy: 63.49042299167026
Energy: 56.159802403952305
Energy: 58.86214073052098
Energy: 57.0304403494919
Energy: 0.006162502427686675
Energy: 0.006277455369541323
Energy: 58.894034410039325
Energy: 0.00618048341573014
Energy: 0.024670163366540286
Energy: 53.21300339941423
Energy: 0.006424304425949192
Energy: 0.025449794351291924
Energy: 52.06789945726162
Energy: 0.0062901397967148895
Energy: 0.02526040596847002
Energy: 0.006381550241454189
Energy: 58.45927878125226
Energy: 63.52958339130058
Energy: 0.006314731273205687
Energy: 54.91754690601656
Energy: 62.7211977686807

minimum gb energy = 0.005978187421735569 eV
minimum distance =  1.05258327081667 Angstroms
sigma value = 3


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

Energy: 17.057031279806562
Energy: 31.421584343842678
Energy: 20.32436087433675
Energy: 16.94108639603229
Energy: 29.20220657944663
Energy: 13.125511730668842
Energy: 31.274628313063833
Energy: 26.36948422613764
Energy: 27.72609939769477
Energy: 31.156094232625424
Energy: 25.416284641756274
Energy: 28.99782309342456
Energy: 24.977641451316185
Energy: 18.17190722152666
Energy: 17.356246118182607
Energy: 25.959582523466423
Energy: 18.86120829009939
Energy: 24.493259208055633
Energy: 24.1917520641597
Energy: 17.634339384991296
Energy: 16.554812715887557
Energy: 25.035914488907355
Energy: 18.181955637985762
Energy: 23.99395757692255
Energy: 19.849228498682262
Energy: 23.509841841312266
Energy: 24.736702169222237
Energy: 19.67241389321799
Energy: 22.25006138684179
Energy: 26.263717030234265
Energy: 16.957300053790735
Energy: 26.73221544421902
Energy: 20.227756596167033
Energy: 16.846832255282134
Energy: 24.42999377843721
Energy: 13.005945802635344
Energy: 24.707699713792707
Energy: 21.14836529584385
Energy: 21.873770326916578
Energy: 24.52945245554988
Energy: 19.794219126226093
Energy: 22.795127750634105
Energy: 17.418399141318332
Energy: 18.647463552996214
Energy: 17.70336366473487
Energy: 18.2392944155685
Energy: 10.962793373751639
Energy: 16.283295640057837
Energy: 16.33444589906715
Energy: 16.83271754540067
Energy: 24.4191480633543
Energy: 16.825297793584234
Energy: 17.509260213473862
Energy: 23.285991451710924
Energy: 21.43204153849916
Energy: 15.153590810960093
Energy: 16.372658242992568
Energy: 21.152541446439514
Energy: 14.053474217095932
Energy: 17.89065920880012
Energy: 16.82747781419622
Energy: 17.737946934515637
Energy: 20.171638359085225
Energy: 16.735943201931057
Energy: 15.956463575539939
Energy: 12.852855236505006
Energy: 14.817201049327196
Energy: 0.2537578375218046
Energy: 0.2332292293667031
Energy: 0.19688178601594386
Energy: 11.520452134722358
Energy: 0.1941754525560344
Energy: 0.1952080454074195
Energy: 10.722859001094736
Energy: 18.191457164918468
Energy: 0.1954236387814162
Energy: 11.642928822643372
Energy: 16.927754069731115
Energy: 0.23646340385815573
Energy: 16.21586471946665
Energy: 15.679091466796917
Energy: 0.2229755383300984
Energy: 16.69912777116416
Energy: 0.24790800436923868
Energy: 13.55760816801199
Energy: 0.18741601410272507
Energy: 0.18648003726960583
Energy: 13.356826864447505
Energy: 0.1895074875413281
Energy: 11.15723374598049
Energy: 17.095733347606526
Energy: 0.18809882986423274
Energy: 0.23713771942627196
Energy: 17.06874410423811
Energy: 0.23435187661832738
Energy: 12.999337754037784
Energy: 0.18434255584146628
Energy: 0.2458482046256431
Energy: 0.24585879794179483
Energy: 0.18458671963611728
Energy: 8.077107154849271
Energy: 0.18149261466102845
Energy: 0.18199305646958205
Energy: 12.15931212980282
Energy: 0.24566295208486105
Energy: 0.182103395721968
Energy: 12.717181732465786
Energy: 0.21292429572848096
Energy: 13.372327113413112
Energy: 0.208837661358516
Energy: 7.960365305482425
Energy: 13.207331409208745
Energy: 0.2090642376890386
Energy: 8.68657710425071
Energy: 0.23423921910466233
Energy: 0.18184989438313942
Energy: 0.18144777588584626
Energy: 0.23441956310734888
Energy: 0.18424743808550717
Energy: 0.18143943796542317
Energy: 0.2335502884158757
Energy: 14.283460003356437
Energy: 12.816639057128409
Energy: 0.23454704598167087
Energy: 14.625758092874054
Energy: 11.734892063641345
Energy: 0.19010294765006608
Energy: 14.191380663730305
Energy: 13.21497703160433
Energy: 0.19057300995227439
Energy: 14.904427319645885
Energy: 11.372566768163946
Energy: 13.775754397205851
Energy: 0.24725345432888385
Energy: 0.24759564144664692
Energy: 13.56002824348857
Energy: 0.22194319391184686
Energy: 11.163899840585325
Energy: 17.044723933665715
Energy: 14.037188748663496
Energy: 16.217089044835387
Energy: 16.94066736571507
Energy: 11.580921379589793
Energy: 13.136205266247245
Energy: 14.180953744847091
Energy: 7.862446361566478
Energy: 9.435074859032103
Energy: 14.034988101520128
Energy: 0.19675124791190413
Energy: 12.39162451199
Energy: 11.835764392355829
Energy: 18.381678656637312
Energy: 17.623282435559705
Energy: 12.281358574844896
Energy: 10.530442909728311
Energy: 20.486566150054863
Energy: 12.707907335867944
Energy: 17.522821132235354
Energy: 16.34151065507803
Energy: 13.308627729188906
Energy: 18.044705992603856
Energy: 19.42885133087977
Energy: 19.976613783782504
Energy: 18.259667346219675
Energy: 19.664103530450678
Energy: 19.787580534730925
Energy: 16.39255538715225
Energy: 21.21433345077206
Energy: 16.882642074065974
Energy: 22.119777084261724
Energy: 20.112191769525985
Energy: 16.772674805543208
Energy: 20.008691118485068
Energy: 12.891138811891032
Energy: 21.07033841405354
Energy: 21.367632826628682
Energy: 21.194925256460152
Energy: 21.06127628666657
Energy: 21.402468986153607
Energy: 21.338374151351147
Energy: 21.614944842974435
Energy: 18.775375043612883
Energy: 17.804008221504922
Energy: 22.602770382260765
Energy: 11.117723090462762
Energy: 16.43429145663383
Energy: 20.314954338226105
Energy: 16.58231565705445
Energy: 24.41370825068524
Energy: 20.852676240502003
Energy: 17.381584750150733
Energy: 27.555013337116723
Energy: 21.650845865947186
Energy: 27.111160384874996
Energy: 29.615031293064316
Energy: 21.343739078972924
Energy: 25.106661747022976
Energy: 26.969464712300038

minimum gb energy = 0.18143943796542317 eV
minimum distance =  1.06840533857575 Angstroms
sigma value = 67


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

Energy: 0.31983398489553017
Energy: 31.389875930656654
Energy: 13.979510315085426
Energy: 0.278749110309906
Energy: 29.191105361140743
Energy: 16.485448502610886
Energy: 31.295616594982757
Energy: 26.975731650823857
Energy: 27.93956458547219
Energy: 31.27650684742613
Energy: 25.87908987518298
Energy: 29.115468257164377
Energy: 24.76410927531606
Energy: 0.28993945382812114
Energy: 22.809710237965348
Energy: 25.806767436316576
Energy: 11.792762451999211
Energy: 22.06880776561563
Energy: 23.88706158750791
Energy: 23.03139341258773
Energy: 22.545158845533006
Energy: 24.764295753341784
Energy: 0.2493765839156207
Energy: 21.25407160179963
Energy: 26.462835252700287
Energy: 22.28776028468944
Energy: 23.28540502430643
Energy: 26.335498671814136
Energy: 21.399197874340555
Energy: 24.569167546810085
Energy: 0.29501328496094087
Energy: 24.887109166247097
Energy: 13.952792853283336
Energy: 21.69103465185474
Energy: 22.551798429311113
Energy: 16.351061978023388
Energy: 22.430359981899837
Energy: 16.382076625175205
Energy: 15.724414167939388
Energy: 22.28913712036554
Energy: 15.987300762556861
Energy: 20.941806235450237
Energy: 14.04704000735229
Energy: 11.756927187099166
Energy: 0.2525220926383013
Energy: 14.836636824269721
Energy: 12.361990167672873
Energy: 22.50637358781246
Energy: 0.29650388333458194
Energy: 22.764736939035913
Energy: 22.128547174018493
Energy: 0.2931890140694446
Energy: 22.959456194288546
Energy: 19.96380582920382
Energy: 16.518680702554775
Energy: 0.2555892475530037
Energy: 0.25153419584895437
Energy: 16.183559071649878
Energy: 0.2540426236582231
Energy: 13.031159514222336
Energy: 20.714254657817417
Energy: 0.2985226390897177
Energy: 15.019889244298525
Energy: 20.672746983143167
Energy: 0.29644663760928963
Energy: 16.821791608782434
Energy: 0.2420144402155871
Energy: 9.549463905063972
Energy: 0.31065393546337106
Energy: 0.24253713143154604
Energy: 9.942540665137361
Energy: 0.23872633870066032
Energy: 0.24198174422570493
Energy: 13.59249422444611
Energy: 0.3085155748726515
Energy: 0.24138244152894114
Energy: 14.26068064753633
Energy: 0.2387796757810978
Energy: 12.319573074243419
Energy: 0.269114048626682
Energy: 10.107716475201883
Energy: 12.290355415440436
Energy: 0.26919224675379155
Energy: 10.805795452786365
Energy: 10.566635630546694
Energy: 0.24096208017573914
Energy: 0.23844914499038872
Energy: 10.403610298833671
Energy: 0.2399858290686224
Energy: 8.411661810664492
Energy: 0.2937916957208787
Energy: 15.303910890886716
Energy: 14.425786379056612
Energy: 0.2837852844109734
Energy: 16.1137754961882
Energy: 13.018126113921202
Energy: 8.330296643685976
Energy: 11.822696627180676
Energy: 0.2415107503262785
Energy: 8.660714963799082
Energy: 12.422445244765
Energy: 15.470614454448215
Energy: 15.53947158485503
Energy: 10.028839789111363
Energy: 12.874012612629727
Energy: 15.291206451378072
Energy: 9.732998080761147
Energy: 13.375381563612786
Energy: 0.23461796518301123
Energy: 18.621518533718756
Energy: 14.055935269657388
Energy: 21.73526330682879
Energy: 16.463680833919124
Energy: 16.445206262125847
Energy: 20.03828616758389
Energy: 15.873339170520188
Energy: 17.438412479526054
Energy: 19.89776430542002
Energy: 12.54797778103433
Energy: 18.252827795690852
Energy: 18.326361942133953
Energy: 23.05449903919721
Energy: 22.5697966651855
Energy: 19.381728359030017
Energy: 0.24050218039845736
Energy: 21.423831320973996
Energy: 19.125800475468235
Energy: 0.2454728138220022
Energy: 22.785779711175127
Energy: 19.963271211156137
Energy: 11.69214277168166
Energy: 21.98265738589613
Energy: 25.019706298921797
Energy: 25.653392133548902
Energy: 26.97375999526436
Energy: 24.94896245820614
Energy: 23.647203839735063
Energy: 28.54366452635359

minimum gb energy = 0.23461796518301123 eV
minimum distance =  1.20003316087596 Angstroms
sigma value = 33


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

Energy: 15.141111532324784
Energy: 33.53836080724015
Energy: 27.677400000254423
Energy: 14.948712995289995
Energy: 28.96545406867726
Energy: 0.3058640739211079
Energy: 32.942972523155554
Energy: 26.670177146096414
Energy: 27.800398644536504
Energy: 32.68200915150381
Energy: 26.088390550212406
Energy: 29.45903606017482
Energy: 26.184023044748308
Energy: 19.521110109748943
Energy: 17.976571985172832
Energy: 26.90309210727837
Energy: 20.196396900279375
Energy: 16.01576167888084
Energy: 25.375479514745248
Energy: 18.41917566179477
Energy: 16.880159340774885
Energy: 25.98634599148922
Energy: 19.46843795355339
Energy: 15.336272220040492
Energy: 28.264691228094506
Energy: 20.23589317596732
Energy: 21.81677364064341
Energy: 28.193745435710813
Energy: 19.26465525074083
Energy: 23.223530656247927
Energy: 15.053679147436439
Energy: 24.194862194846976
Energy: 27.84506374250491
Energy: 14.876024424940422
Energy: 20.68820586219343
Energy: 0.29949019687806283
Energy: 20.903693523878903
Energy: 0.27390366812761124
Energy: 0.27373787469069555
Energy: 20.679373055337862
Energy: 0.27389296020959475
Energy: 0.27702857692176686
Energy: 0.3037170840536732
Energy: 20.4499007410941
Energy: 19.411769152953347
Energy: 0.3039664707821779
Energy: 21.323336827208774
Energy: 17.153320679523933
Energy: 11.350331535008554
Energy: 17.904007519506504
Energy: 17.54807185156075
Energy: 0.30393497850589213
Energy: 18.421442858729037
Energy: 0.3131811913979615
Energy: 0.2725156545448519
Energy: 0.27327611237991534
Energy: 0.2733240143335484
Energy: 0.2726737852221333
Energy: 0.27346778256701537
Energy: 0.2730629957910705
Energy: 16.352071570671633
Energy: 11.592078952260753
Energy: 0.34790695121591575
Energy: 16.382392159958385
Energy: 10.953511104131987
Energy: 0.3453547172034168
Energy: 0.2733377025068894
Energy: 12.508646995501215
Energy: 11.780347606692406
Energy: 0.27319954779225974
Energy: 0.3144443570541194
Energy: 10.53994047824267
Energy: 10.55809978838279
Energy: 0.292674611668573
Energy: 0.2817881980350964
Energy: 10.58142070478221
Energy: 0.29203646011783163
Energy: 0.27299478661670157
Energy: 14.858487819386642
Energy: 13.513607432427156
Energy: 17.53578732457029
Energy: 14.704871870301707
Energy: 12.276839063497528
Energy: 0.349551023285363
Energy: 0.2641957290526349
Energy: 11.221624804337576
Energy: 12.343620134630472
Energy: 0.2646082437570671
Energy: 10.453134520127529
Energy: 16.19865267591666
Energy: 15.193431139479815
Energy: 17.145040050203587
Energy: 15.963095114659176
Energy: 15.752542047383544
Energy: 18.106345710525208
Energy: 22.549905754723344
Energy: 18.74231915415984
Energy: 19.942298093969374
Energy: 18.83058294737569
Energy: 19.780156272294995
Energy: 20.75642984879675
Energy: 16.645391053094645
Energy: 29.93023953978015
Energy: 24.084184698727668
Energy: 25.264926196535534
Energy: 29.726439557111497
Energy: 22.49590243010528
Energy: 26.869028075967396
Energy: 15.060990566150204
Energy: 33.302222711781155
Energy: 27.646527324936084
Energy: 14.87123723159554
Energy: 28.780174371250727
Energy: 0.3157677279494321
Energy: 27.203427784687513
Energy: 26.211239127279416
Energy: 28.46517943806954
Energy: 26.945156517496002
Energy: 24.78546362157093
Energy: 31.18585958116502
Energy: 25.687485156120697
Energy: 18.687952857783852
Energy: 17.017108521937413
Energy: 26.319864968741456
Energy: 19.58064761409932
Energy: 15.337629191557454
Energy: 25.980199726092756
Energy: 19.464696740585698
Energy: 17.830342159405614
Energy: 26.677154759187363
Energy: 20.067875295140382
Energy: 15.9902954000549
Energy: 26.51557769544529
Energy: 20.68550145504055
Energy: 21.48215415083053
Energy: 26.20306371796231
Energy: 19.908945401750902
Energy: 22.39479795218049
Energy: 15.167944674999182
Energy: 24.37596349589583
Energy: 27.842214915003375
Energy: 14.983838425040743
Energy: 20.8052381197796
Energy: 0.29860718664067787
Energy: 23.71930502288562
Energy: 0.2739143699225638
Energy: 0.27363041862769494
Energy: 23.446122404145708
Energy: 0.2736407730030537
Energy: 20.28013009018057
Energy: 0.3022497815329138
Energy: 20.08376657174698
Energy: 18.632358272744842
Energy: 0.30290709323396015
Energy: 20.830245790980786
Energy: 16.578710788760695
Energy: 0.3025041148987083
Energy: 18.988846717793788
Energy: 18.131460078120313
Energy: 0.27313820131580735
Energy: 19.847295895724663
Energy: 17.68525359673675
Energy: 0.2729660168855596
Energy: 0.27329760843468776
Energy: 0.27329592504304845
Energy: 0.2733526772382345
Energy: 0.27380254115196506
Energy: 0.27316181123999966
Energy: 16.496777570226673
Energy: 0.27375209994663396
Energy: 0.3500293715591677
Energy: 16.444945206098193
Energy: 0.27438632795012946
Energy: 0.34533485998618685
Energy: 0.27309784817115956
Energy: 12.651722651852054
Energy: 11.96448982520513
Energy: 0.27306800960478583
Energy: 0.3150212449186399
Energy: 10.865792583416905
Energy: 0.27472777651287766
Energy: 10.202310555192296
Energy: 0.2727812216282421
Energy: 0.2737995211746162
Energy: 10.678849075021692
Energy: 0.2733230229965706
Energy: 14.500247997052018
Energy: 13.296545134266484
Energy: 17.175861420343963
Energy: 14.367884351805287
Energy: 12.129789408380809
Energy: 0.3490126024888975
Energy: 0.2644484072976386
Energy: 11.481325587191325
Energy: 12.897828973722083
Energy: 0.2643289198444315
Energy: 10.53185852874035
Energy: 17.53073343528596
Energy: 14.675888667049879
Energy: 15.989997486440993
Energy: 22.81200474396776
Energy: 15.140351025935958
Energy: 16.703323160947868
Energy: 21.537015797772426
Energy: 19.107967644972135
Energy: 20.300661670490637
Energy: 19.294965258730844
Energy: 20.203973097695616
Energy: 0.3071673822372566
Energy: 17.099690713141577
Energy: 26.918732563580235
Energy: 23.051106399048454
Energy: 24.49697767766963
Energy: 26.788896739967264
Energy: 22.298147588217137
Energy: 25.285369240798897
Energy: 14.827065086900193
Energy: 32.64044810759467
Energy: 27.55952359796666
Energy: 14.644855945400641
Energy: 28.264616484911812
Energy: 0.3276107156430828

minimum gb energy = 0.2641957290526349 eV
minimum distance =  2.68322129113894 Angstroms
sigma value = 41


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

Energy: 0.3648491050868142
Energy: 30.859738877461897
Energy: 21.99599224170401
Energy: 0.3602760003444292
Energy: 29.36492807147634
Energy: 23.424293396886952
Energy: 30.91896420381616
Energy: 27.820988334651005
Energy: 28.597659450824406
Energy: 30.852013673231554
Energy: 27.14578971625235
Energy: 29.628128494975805
Energy: 24.285731043660657
Energy: 0.3495941168079423
Energy: 0.3158315251158892
Energy: 25.448035828705795
Energy: 0.3717039809198903
Energy: 0.33075288430406424
Energy: 23.48625575598345
Energy: 0.35028139787081247
Energy: 0.3161927033481842
Energy: 24.373455093444626
Energy: 0.32793668289022726
Energy: 34.43055580701426
Energy: 23.53873837874649
Energy: 19.09528298472374
Energy: 19.854349327643593
Energy: 23.289718211426276
Energy: 0.3680998242437579
Energy: 20.804040487355824
Energy: 0.3530222410317628
Energy: 20.42430908884626
Energy: 22.56735560003305
Energy: 0.36664208901420137
Energy: 18.940315213776316
Energy: 24.068755727581166
Energy: 0.32993297862652066
Energy: 0.32495616248287984
Energy: 0.32279265024346293
Energy: 0.32982069885013365
Energy: 14.407434461631485
Energy: 0.32903109274418624
Energy: 0.3300552053979219
Energy: 0.3544033562567649
Energy: 0.329306499583612
Energy: 0.33053812044464764
Energy: 21.504170809186096
Energy: 0.3299883552307685
Energy: 0.35001545275475826
Energy: 14.40533211233343
Energy: 14.302642212981711
Energy: 0.3507485617226788
Energy: 0.3293234962615523
Energy: 14.598820001231774
Energy: 14.206052398815178
Energy: 10.33685265080345
Energy: 11.338733239798643
Energy: 14.121767199650284
Energy: 9.633407445976328
Energy: 12.5207840908387
Energy: 0.3426532198303726
Energy: 19.451040904669195
Energy: 18.764458925924803
Energy: 13.90533894006744
Energy: 0.3064855060899086
Energy: 17.070493064940855
Energy: 14.266018993792736
Energy: 0.3070563620500899
Energy: 0.33991162988715756
Energy: 15.145861180597072
Energy: 18.465157753693248
Energy: 0.37607707465243045
Energy: 23.469456425465978
Energy: 19.934409390366667
Energy: 21.003502224516243
Energy: 23.231158810199727
Energy: 19.48379371093732
Energy: 21.631538941971034
Energy: 0.30647790867320834
Energy: 30.371981318797197
Energy: 21.3690510092154
Energy: 0.3532085493711538
Energy: 28.646581323558095
Energy: 23.35569177131171

minimum gb energy = 0.30647790867320834 eV
minimum distance =  1.12937913402602 Angstroms
sigma value = 11


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

Energy: 13.272000543851197
Energy: 31.304492390571383
Energy: 18.529609103271003
Energy: 13.073905932450131
Energy: 28.52255501290349
Energy: 10.149344824473031
Energy: 31.795858223351576
Energy: 17.635597443095982
Energy: 24.177748371265473
Energy: 31.61806099847507
Energy: 18.63666256762163
Energy: 26.76894914362601
Energy: 0.3936122633439683
Energy: 16.696364099396114
Energy: 14.92052553502993
Energy: 0.3934896612275869
Energy: 18.11342474695034
Energy: 22.075984224414007
Energy: 0.3904437984320999
Energy: 12.841121116590347
Energy: 21.052440915600137
Energy: 10.820053268973174
Energy: 14.027105326750842
Energy: 19.933194988589
Energy: 11.49164782095122
Energy: 0.35438739675842545
Energy: 0.3543416956312518
Energy: 11.301902627529618
Energy: 0.37190290202028836
Energy: 0.3764467723413746
Energy: 13.214509990318714
Energy: 0.3724772868231629
Energy: 0.372485038476212
Energy: 13.001369792394977
Energy: 0.372258855668193
Energy: 11.309006677362168
Energy: 0.3722455787759581
Energy: 14.010508417468696
Energy: 10.210994145566769
Energy: 0.37230167222441024
Energy: 0.3678040323251918
Energy: 8.931763242127355
Energy: 0.3713147529908296
Energy: 8.191468392964712
Energy: 7.859698133537637
Energy: 0.3704178036753143
Energy: 8.460986544806108
Energy: 7.5305769991661
Energy: 11.356937963218575
Energy: 17.04571493671798
Energy: 20.208112764957754
Energy: 11.164329417344705
Energy: 14.866066724208896
Energy: 18.640629997364446
Energy: 11.164854395670059
Energy: 18.644412954685258
Energy: 22.339973635948233
Energy: 10.987204021631872
Energy: 16.117027937007702
Energy: 18.74753551609903
Energy: 0.3709704584719918
Energy: 20.215851142618238
Energy: 30.68376808384384
Energy: 0.3713587968926192
Energy: 21.259635204450255
Energy: 28.31991425195931
Energy: 23.975820357553868
Energy: 18.165530240609847
Energy: 15.9703320792676
Energy: 25.73096892378197
Energy: 0.3897057721062176
Energy: 13.090022316380324
Energy: 13.784788597043752
Energy: 24.482543729721762
Energy: 22.27402430219195
Energy: 13.933136644467751
Energy: 25.69347518562399
Energy: 20.19944018370311
Energy: 12.96873154226544
Energy: 14.485119205560439
Energy: 18.394859935839598
Energy: 12.6763828668216
Energy: 12.122304740353322
Energy: 19.358630478073355
Energy: 18.886437434081028
Energy: 0.3985214817739945
Energy: 12.467090063974958
Energy: 18.829535904848434
Energy: 0.3888620453483655
Energy: 14.083714899052705
Energy: 0.35439384628600057
Energy: 0.39162321407148526
Energy: 0.368341130433661
Energy: 0.35431001900801096
Energy: 0.39305526755736697
Energy: 0.3536892502314468
Energy: 9.186235291623197
Energy: 0.3630587289177016
Energy: 0.3882035505273679
Energy: 9.111044651449994
Energy: 0.37266418681498514
Energy: 0.353887541693782
Energy: 13.321571938627278
Energy: 9.08158058602025
Energy: 14.011200233678101
Energy: 13.1213593234467
Energy: 7.890865027717122
Energy: 10.306705418302649
Energy: 13.012496921150307
Energy: 13.501780341728212
Energy: 12.923383966550793
Energy: 12.905757866523992
Energy: 13.858557071163377
Energy: 12.51564795781538
Energy: 0.3970746466342542
Energy: 16.973192267430452
Energy: 14.676199251670054
Energy: 19.825911443176356
Energy: 18.14951701392283
Energy: 21.757027721237638
Energy: 0.40647178944870294
Energy: 13.224685733390043
Energy: 21.414628560704102
Energy: 0.4077328255879152
Energy: 14.448640174729698
Energy: 26.46328367876038
Energy: 19.38917657437961
Energy: 21.157468646558556
Energy: 25.07100759309646
Energy: 19.293434351426015
Energy: 18.38832722667655
Energy: 27.802966112918796
Energy: 12.57537149042928
Energy: 23.979107493128723
Energy: 18.10847708426692
Energy: 12.307117143957266
Energy: 20.660812131975835
Energy: 19.139768862707246
Energy: 0.4020271576664936
Energy: 0.3538541908339452
Energy: 0.3993693570167087
Energy: 0.402449906841189
Energy: 11.745783570138983
Energy: 0.40193707376713117
Energy: 0.4098565081093381
Energy: 18.327447115824448
Energy: 16.456359069182543
Energy: 0.4105466499126135
Energy: 0.3811408764710619
Energy: 13.523945257836878
Energy: 8.62361891249742
Energy: 0.35362475353119605
Energy: 0.35391765698887695
Energy: 8.675835572278714
Energy: 11.400480995186806
Energy: 0.3811539783305193
Energy: 8.492866846897137
Energy: 0.3539242864890304
Energy: 0.3538299557233164
Energy: 8.371953323188265
Energy: 0.3547861444143368
Energy: 0.35369759055542366
Energy: 0.39457416371288634
Energy: 15.62124475646628
Energy: 14.986184181397219
Energy: 0.39585103470571864
Energy: 16.124403072887922
Energy: 9.258008463258776
Energy: 7.397326133883054
Energy: 18.06754173500439
Energy: 16.12752008813958
Energy: 7.576106004764097
Energy: 0.3897099684411047
Energy: 13.182274214919692
Energy: 23.751665584924975
Energy: 17.554713072380192
Energy: 17.24079560837819
Energy: 23.49350049695009
Energy: 16.409428296932187
Energy: 17.470419215245297
Energy: 12.984817504203358
Energy: 30.6815140106791
Energy: 18.408041859765824
Energy: 12.691464850550283
Energy: 27.91080177026707
Energy: 19.330785111534464

minimum gb energy = 0.35362475353119605 eV
minimum distance =  1.03489507270116 Angstroms
sigma value = 57


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

Energy: 0.5437284013257737
Energy: 27.20876869986098
Energy: 0.4349906708713106
Energy: 0.43661269296105154
Energy: 24.70896468453478
Energy: 0.4349454520341315
Energy: 29.162621490815663
Energy: 27.193164612144123
Energy: 27.585098858517267
Energy: 29.11602789329101
Energy: 27.19896159410872
Energy: 28.418475581656853
Energy: 26.577176471141737
Energy: 0.3686035488658459
Energy: 0.38514807364430853
Energy: 28.58052550212513
Energy: 0.39797133069828045
Energy: 35.16638332628079
Energy: 0.3874104023949569
Energy: 35.341955754982145
Energy: 35.84593122216859
Energy: 0.38804490115726786
Energy: 0.36774086302930087
Energy: 34.49902671126301
Energy: 0.3715000104245307
Energy: 0.3760719105900718
Energy: 0.351365805898095
Energy: 0.3714817944438987
Energy: 0.36920292816444306
Energy: 0.34940315602321903
Energy: 0.3686429851107579
Energy: 18.200968377596826
Energy: 0.3898372048424865
Energy: 0.40054432655943556
Energy: 17.387544989353636
Energy: 0.3893539663898521
Energy: 16.091801768872244
Energy: 0.3995452141192559
Energy: 0.37902174523586896
Energy: 16.463426552370446
Energy: 0.3982969514865186
Energy: 18.86039813295128
Energy: 20.02017916408123
Energy: 20.054791567327754
Energy: 19.622078714146383
Energy: 18.274487542909814
Energy: 20.277490404566578
Energy: 19.388821524671535
Energy: 0.33736042583597387
Energy: 25.486416206297417
Energy: 0.43307117208072815
Energy: 0.36943142927745554
Energy: 22.44735215180894
Energy: 0.43355480643665595
Energy: 0.33712571558783433
Energy: 26.37899867367122
Energy: 0.4331801505457361
Energy: 0.37656806427036554
Energy: 23.09608510240865
Energy: 0.39794830420216876
Energy: 20.813421279589264
Energy: 36.21725439381014
Energy: 34.5110074846504
Energy: 21.352074681603867
Energy: 36.342839350038076
Energy: 32.87314233768249
Energy: 28.999613378000532
Energy: 0.4248570468654742
Energy: 0.38764654415203753
Energy: 29.791973824346062
Energy: 0.42435433358240465
Energy: 35.216449730731476
Energy: 0.3727581774404626
Energy: 27.167866911003653
Energy: 0.36853872796910414
Energy: 0.37310342366909316
Energy: 28.547866723351284
Energy: 0.3590118994953521
Energy: 0.3683196267888642
Energy: 0.3924018949985164
Energy: 0.38946738195888453
Energy: 0.37355972592782055
Energy: 0.39104755704542726
Energy: 0.3873417557163643
Energy: 0.3885635225665059
Energy: 0.399479988145686
Energy: 20.287811517432804
Energy: 0.3887851373858422
Energy: 0.39680655459056324
Energy: 20.489851646634687
Energy: 14.728893521854447
Energy: 0.39901991581008306
Energy: 0.3372492260464818
Energy: 15.0933490425445
Energy: 0.3975393424473998
Energy: 18.536440830115048
Energy: 0.33688253014934666
Energy: 22.474237888405035
Energy: 23.8608715020525
Energy: 0.3368901847442219
Energy: 21.51771776251009
Energy: 25.537937793435862

minimum gb energy = 0.33688253014934666 eV
minimum distance =  1.19354099616879 Angstroms
sigma value = 9


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

Energy: 16.063493663227856
Energy: 26.847974062537446
Energy: 0.4317824503096973
Energy: 15.99434082769674
Energy: 23.8429299712099
Energy: 0.43786070617716794
Energy: 26.277050261546805
Energy: 0.39136886981561775
Energy: 20.87694704702138
Energy: 25.97532489675648
Energy: 0.39778614282588604
Energy: 23.230375511450543
Energy: 0.39759495295009845
Energy: 0.3832262077485596
Energy: 20.108379025490603
Energy: 10.23813229443469
Energy: 0.4082291979398406
Energy: 18.12680314070084
Energy: 0.3843716353195389
Energy: 17.921426393016596
Energy: 17.03414977777084
Energy: 0.3844705606675512
Energy: 18.24354678729031
Energy: 16.534279400426787
Energy: 10.572711766042255
Energy: 0.38340190752653225
Energy: 7.9251545800797585
Energy: 10.478855309588486
Energy: 0.39594369623876524
Energy: 8.704292821862888
Energy: 0.3987023379988071
Energy: 12.55394881993818
Energy: 11.8323094661227
Energy: 0.3996594606670309
Energy: 13.164366838357557
Energy: 10.905879061635158
Energy: 10.62746937720812
Energy: 0.387676216588953
Energy: 19.346610122974962
Energy: 12.155692699269935
Energy: 0.40577310028374536
Energy: 17.659509164179006
Energy: 0.41215122257900966
Energy: 17.16243818654512
Energy: 23.321212422826218
Energy: 0.4128636859843719
Energy: 17.982871935412344
Energy: 20.44366737785541
Energy: 15.162456485737403
Energy: 19.845285298091966
Energy: 22.925935225142407
Energy: 14.957102484744551
Energy: 16.896564020608068
Energy: 10.487477243843342
Energy: 14.514093789917313
Energy: 17.43537712845008
Energy: 21.162038811676947
Energy: 14.33811957198489
Energy: 15.245750993863606
Energy: 24.264677062806356
Energy: 0.3952754325406707
Energy: 0.39116996780642244
Energy: 0.39081900091376703
Energy: 0.39565824060671617
Energy: 0.3860050878844348
Energy: 0.3716480646523399
Energy: 0.39749461577951417
Energy: 0.38463525704852813
Energy: 0.38499177428343534
Energy: 0.3983253932514429
Energy: 0.4011915125592953
Energy: 0.3958974318414147
Energy: 15.8145133161249
Energy: 12.842249812948165
Energy: 19.146828344395068
Energy: 15.6156377754081
Energy: 11.247701172038852
Energy: 13.26877607361245
Energy: 14.078967004432197
Energy: 15.873672733279221
Energy: 17.862032185345953
Energy: 13.965964464073611
Energy: 0.3819451283454896
Energy: 19.77615812435434
Energy: 16.90734439357616
Energy: 18.191933160481906
Energy: 16.812425399215115
Energy: 17.85886603354385
Energy: 18.87144022477628
Energy: 28.967826874988912
Energy: 19.009113058797855
Energy: 0.38229224568549974
Energy: 17.601510961071895
Energy: 20.66720787404752
Energy: 0.41207512373886535
Energy: 16.249386306830996
Energy: 14.078238104951508
Energy: 0.39214771739711457
Energy: 0.3910917503214263
Energy: 14.124575834598904
Energy: 15.17887531707682
Energy: 0.3849242986546204
Energy: 16.584066416950506
Energy: 0.39330726808365474
Energy: 13.200595753711973
Energy: 16.527434253988446
Energy: 0.39158812082727434
Energy: 14.299330228363917
Energy: 0.3866740352398524
Energy: 12.938497297741016
Energy: 12.424952752179037
Energy: 0.3868696824194557
Energy: 0.4112778027710986
Energy: 11.566546119826572
Energy: 0.3862699498550663
Energy: 13.197683062599607
Energy: 12.259789859024968
Energy: 8.527424130373895
Energy: 13.481546259704983
Energy: 11.142752751796875
Energy: 0.39643695493331865
Energy: 21.11784341035977
Energy: 23.479107758276495
Energy: 0.3844210120850685
Energy: 17.934899734044052
Energy: 25.664556745463024

minimum gb energy = 0.3716480646523399 eV
minimum distance =  1.04212260489897 Angstroms
sigma value = 27


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

Energy: 0.5417713226965829
Energy: 13.74351245348591
Energy: 0.3792865186322054
Energy: 0.4072311322420433
Energy: 13.734057533672388
Energy: 0.3737458222764132
Energy: 14.6297018739369
Energy: 16.25002561837878
Energy: 15.953908163110912
Energy: 14.76347954261072
Energy: 16.663867974525555
Energy: 15.883212913050977
Energy: 0.42286510016176815
Energy: 35.910706713404366
Energy: 35.96582740746589
Energy: 0.4232642400194026
Energy: 0.398902025096799
Energy: 33.176902597788995
Energy: 15.854472878106
Energy: 34.16092675960739
Energy: 0.40554001002158807
Energy: 16.544751860457804
Energy: 34.64189818834232
Energy: 0.4087505900701266
Energy: 0.40124455840208534
Energy: 0.40738250832071854
Energy: 12.550022817943484
Energy: 0.4016465255920552
Energy: 0.4073815657213778
Energy: 13.695069142421517
Energy: 9.675903702294251
Energy: 8.008523661474042
Energy: 8.364016677164425
Energy: 10.623442030510125
Energy: 7.8244881871927445
Energy: 8.96521793782017
Energy: 6.886479803325886
Energy: 0.38192414278021947
Energy: 0.36638458094020127
Energy: 7.145772260144095
Energy: 0.39506511999791555
Energy: 0.36519260081311894
Energy: 9.234317294524068
Energy: 0.3915009156864959
Energy: 9.071216630686694
Energy: 9.239927171985387
Energy: 0.4035778808848466
Energy: 9.501456835377315
Energy: 35.799506843080785
Energy: 0.3898863569447216
Energy: 0.38756794296451774
Energy: 35.787987833274904
Energy: 0.3935495388983866
Energy: 33.24038198346641
Energy: 35.718633706710456
Energy: 0.36268892271377184
Energy: 0.35629450891268494
Energy: 35.81838154278354
Energy: 0.36889340985843255
Energy: 33.05348741105959
Energy: 0.40080919335852405
Energy: 13.668926220208117
Energy: 13.808544154578048
Energy: 0.4012222734739619
Energy: 0.398603728838282
Energy: 13.361502660425943
Energy: 0.3474302495619263
Energy: 0.34804299199790306
Energy: 0.34733721123233113
Energy: 0.34837565509217366
Energy: 0.38441147754485894
Energy: 0.34697900881646876
Energy: 0.3776335166089362
Energy: 0.34736947871029633
Energy: 0.3476515108685614
Energy: 0.377388328180094
Energy: 0.34951710757476423
Energy: 0.34738287484610153
Energy: 0.374944313846562
Energy: 0.3476402565931322
Energy: 0.3477813557390396
Energy: 0.37471877327170033
Energy: 0.34736466953579603
Energy: 0.34786883836643717
Energy: 0.3479230966853185
Energy: 33.978301019943466
Energy: 31.602134417615943
Energy: 0.34858717334419653
Energy: 35.32443076071978
Energy: 0.3472271050507512
Energy: 0.39589960537132823
Energy: 35.807150591390815
Energy: 35.30938592486446
Energy: 0.39612572129483853
Energy: 35.570264634064586
Energy: 32.715066167240295
Energy: 0.40439903634103147
Energy: 0.3884397126489544
Energy: 13.978429969115007
Energy: 0.4039121563941721
Energy: 0.38442791157113226
Energy: 14.6094485164192
Energy: 13.962855249295965
Energy: 0.40641875517503606
Energy: 0.4059814130994474
Energy: 13.811069640409038
Energy: 7.419174310359713
Energy: 9.243409469159428
Energy: 6.816112590919294
Energy: 0.3774152403855786
Energy: 0.3670696265353416
Energy: 7.008890981063721
Energy: 0.3966016186119673
Energy: 0.37214027090846724
Energy: 7.285355799019874
Energy: 0.3773684812513541
Energy: 0.37852600516578616
Energy: 7.461436883906856
Energy: 0.3960034765934014
Energy: 0.37123741088863155
Energy: 34.1970818507559
Energy: 0.40349635727293653
Energy: 0.39772839412687255
Energy: 33.808434381441934
Energy: 0.40113401351857125
Energy: 0.3894405653884169
Energy: 0.39794400940843583
Energy: 0.4164320980183885
Energy: 32.4799759059921
Energy: 0.3984410910326657
Energy: 0.4328314432383936
Energy: 35.50518488870085
Energy: 0.43917388153338816
Energy: 15.165023308475305
Energy: 15.800702530218432
Energy: 0.4057036103732293
Energy: 14.59404541636529
Energy: 15.90927844338645
Energy: 0.40694795065506983
Energy: 14.478241025093968
Energy: 13.652619402486646
Energy: 0.4073682454074284
Energy: 15.09594713748176
Energy: 12.85205863706017
Energy: 0.38247040868897425
Energy: 13.527327756577833
Energy: 14.000360007808316
Energy: 0.3942879419077923
Energy: 12.499895076490759
Energy: 0.38919782835992034

minimum gb energy = 0.34697900881646876 eV
minimum distance =  2.659186134145 Angstroms
sigma value = 19


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

Energy: 11.708038615540602
Energy: 27.51263358238568
Energy: 14.272547730407213
Energy: 11.532853590136748
Energy: 25.662446114527647
Energy: 16.814773814881097
Energy: 26.638057265217228
Energy: 16.742870389459824
Energy: 18.67856406683905
Energy: 26.528018940137702
Energy: 0.39499172777430214
Energy: 21.674234172433636
Energy: 0.38481509435414163
Energy: 16.675665700209358
Energy: 14.725901742691466
Energy: 0.3849717795504852
Energy: 17.278632872331823
Energy: 12.672399201969887
Energy: 9.513163418170198
Energy: 12.059268423207696
Energy: 0.37417973246842917
Energy: 9.48996956660355
Energy: 12.796733046156959
Energy: 0.3749801777473467
Energy: 12.17881147254752
Energy: 8.614790679576796
Energy: 13.664034384443626
Energy: 11.976517032336279
Energy: 0.3863239403548033
Energy: 14.911165934374205
Energy: 0.40677489897400176
Energy: 20.843032863649515
Energy: 19.39064573940242
Energy: 0.3947869578784694
Energy: 21.538288273857678
Energy: 15.64756999526854
Energy: 21.394533426978242
Energy: 13.494410984861746
Energy: 12.644116793795417
Energy: 22.413614442024794
Energy: 14.080158094422602
Energy: 0.3795755884821298
Energy: 13.634655513695098
Energy: 18.290185099451637
Energy: 25.55721385834912
Energy: 14.558401426504178
Energy: 20.039524289812515
Energy: 23.140064042842912
Energy: 12.511371278166454
Energy: 0.38171919968251955
Energy: 0.37706930658151194
Energy: 12.317719891981001
Energy: 0.385228269730018
Energy: 0.37588710696054334
Energy: 11.44179932179768
Energy: 9.37623684776722
Energy: 0.3854814208316673
Energy: 11.512555834162185
Energy: 9.590344880779343
Energy: 0.3827526136879887
Energy: 7.9788448219742705
Energy: 15.882406065510475
Energy: 14.134660157320782
Energy: 8.550697941125506
Energy: 17.010719885894215
Energy: 12.049027261484055
Energy: 0.4012651866720661
Energy: 11.637199747155915
Energy: 11.371972657944614
Energy: 0.40185344420679125
Energy: 11.977344798535121
Energy: 0.362787773255179
Energy: 11.259322001721815
Energy: 21.750418153893005
Energy: 13.340226768411236
Energy: 0.3819272642978158
Energy: 17.0707171504482
Energy: 15.587449501907948
Energy: 16.61394778886255
Energy: 16.501024103457937
Energy: 21.224570354366328
Energy: 16.223173868119552
Energy: 13.615817735540187
Energy: 22.550701279967413
Energy: 0.3802309014739177
Energy: 0.38985007980348046
Energy: 0.3603179767326733
Energy: 0.38010703407011676
Energy: 0.37636573802280354
Energy: 0.3625812749679008
Energy: 9.312908147372626
Energy: 0.3879637557301722
Energy: 0.3656872207620852
Energy: 9.245154271211167
Energy: 0.3774755464375875
Energy: 0.3657339094508622
Energy: 11.411061531734152
Energy: 16.83738083031228
Energy: 13.783736841483556
Energy: 11.234107839930386
Energy: 9.496053122534994
Energy: 16.19302808205085
Energy: 15.664444323178426
Energy: 10.78300887503686
Energy: 16.24006024641137
Energy: 15.446426921414956
Energy: 0.3873647099393417
Energy: 17.90013103776302
Energy: 0.393504497196292
Energy: 13.652923408394987
Energy: 12.361762636646768
Energy: 0.3943679047963539
Energy: 14.698570063653401
Energy: 20.635109223780894
Energy: 0.38226803112786767
Energy: 12.66949623731648
Energy: 0.37008817574107633
Energy: 0.38280949413725585
Energy: 13.588826684895222
Energy: 19.80457943724952
Energy: 8.688170897953237
Energy: 0.37884364411299054
Energy: 0.3673942336437739
Energy: 8.561271069202451
Energy: 0.38021845747089816
Energy: 0.3657618036287481
Energy: 0.3769838671393796
Energy: 0.37576869280497127
Energy: 0.3627550224446591
Energy: 0.37759813848473334
Energy: 0.38011999827780907
Energy: 0.36241615837622343
Energy: 9.448998759930674
Energy: 12.890926897633866
Energy: 11.761206079383541
Energy: 16.28963323168203
Energy: 13.40461953407898
Energy: 20.55589537578456
Energy: 0.4050836518229257
Energy: 11.785205588111818
Energy: 20.82916131970709
Energy: 0.388711867972171
Energy: 12.430854480389872
Energy: 17.93556935950537
Energy: 19.17281602014622
Energy: 0.37472111715360695
Energy: 0.36633892977810856
Energy: 18.924750123568405
Energy: 0.38003120256045575
Energy: 16.04376322972783
Energy: 11.190987187042518
Energy: 0.3755671647949708
Energy: 14.878846558411285
Energy: 11.047963592631781
Energy: 0.3795686421655716
Energy: 17.757829113502346
Energy: 0.3858196790004975
Energy: 10.19224069905095
Energy: 9.327471336520171
Energy: 0.3862058305251188
Energy: 10.431134986237538
Energy: 8.727304654575594
Energy: 0.3848552625455341
Energy: 9.302509264142154
Energy: 9.01606425448151
Energy: 0.3843228864982683
Energy: 9.541856296665403
Energy: 8.749300168661081
Energy: 0.39650490006825245
Energy: 24.48841374941947
Energy: 26.896306188160967
Energy: 0.35583802966068323
Energy: 19.45156539466014
Energy: 13.53079283145616

minimum gb energy = 0.35583802966068323 eV
minimum distance =  1.1959244555685 Angstroms
sigma value = 101


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

Energy: 0.6015220860835075
Energy: 28.11525798251078
Energy: 20.60907080080797
Energy: 0.38193858098299677
Energy: 26.305982979633743
Energy: 0.38275100627152486
Energy: 27.447032098069105
Energy: 14.740095823697374
Energy: 16.086836924314113
Energy: 27.2853738188841
Energy: 13.771265315952844
Energy: 24.86495420999814
Energy: 0.3884253316675271
Energy: 20.42292262485194
Energy: 18.88569094461132
Energy: 0.3890591051433655
Energy: 20.816686917435604
Energy: 17.288087044809867
Energy: 12.686568451669029
Energy: 0.3681607431130839
Energy: 0.37525748533805153
Energy: 12.755017179767052
Energy: 17.881610843289817
Energy: 0.3736927380526593
Energy: 0.37125125217726235
Energy: 11.558472450091905
Energy: 13.170828849352853
Energy: 0.3726277966661404
Energy: 10.211104333876461
Energy: 0.3881632348637145
Energy: 14.055952406141552
Energy: 20.66786316211872
Energy: 20.733316650749853
Energy: 14.17778554637632
Energy: 20.982932399702104
Energy: 0.36988945623810937
Energy: 20.145479949804287
Energy: 19.11828614410745
Energy: 17.675635889333275
Energy: 21.1288165909112
Energy: 19.251951942761938
Energy: 0.3872288513301529
Energy: 0.3816766489744365
Energy: 27.04934320949751
Energy: 24.658414508887017
Energy: 0.38253284579166363
Energy: 0.38106452556926806
Energy: 22.17184615376948
Energy: 0.3652688295737302
Energy: 0.3728582016046734
Energy: 0.37288171247392765
Energy: 0.36597911886773504
Energy: 0.388036905375538
Energy: 0.3857179733049209
Energy: 0.3674836196691991
Energy: 13.571700176069204
Energy: 12.77095112821983
Energy: 0.36825829996862686
Energy: 14.36268711985784
Energy: 12.188782542434632
Energy: 12.166881182332862
Energy: 19.05046326468807
Energy: 17.734375055895995
Energy: 12.88888871491288
Energy: 19.169471486220022
Energy: 0.36575119971739095
Energy: 0.3860782294288864
Energy: 17.279530136121434
Energy: 16.299374654589794
Energy: 0.3865977472061708
Energy: 17.492442696092713
Energy: 15.239964418816799
Energy: 0.3683942466146038
Energy: 18.856809790044444
Energy: 21.354934280556034
Energy: 0.3651248838350923
Energy: 0.3788846718247148
Energy: 22.221112552684513
Energy: 0.3681938727131819
Energy: 0.3584674741786174
Energy: 19.753010876708398
Energy: 0.3689180460566428
Energy: 0.357847934867583
Energy: 20.921639917298045
Energy: 0.386708222799955
Energy: 12.3460607790677
Energy: 11.559622128174375
Energy: 0.38738171180102915
Energy: 12.557795749702702
Energy: 10.657444310286191
Energy: 14.96448198932983
Energy: 12.84818427797032
Energy: 13.46257622381477
Energy: 15.189474471760999
Energy: 13.412974508693573
Energy: 13.941720402831985
Energy: 0.3632773241736412
Energy: 27.603214246934098
Energy: 20.495219968353613
Energy: 0.35729654550748363
Energy: 25.6651455834257
Energy: 0.3647221711539294
Energy: 20.717550865663572
Energy: 15.042447977762103
Energy: 26.32324213908802
Energy: 20.658014431294884
Energy: 14.949460191388521
Energy: 18.696666905061353
Energy: 0.3870565379764031
Energy: 19.700235043922884
Energy: 18.49416788223356
Energy: 0.3877834259839662
Energy: 20.685286438167303
Energy: 0.3739156910188799
Energy: 0.3864137748344499
Energy: 19.142641496156553
Energy: 18.62496512150204
Energy: 0.3870540653534196
Energy: 19.4506747666851
Energy: 0.3738951915371228
Energy: 0.37255924151156655
Energy: 11.535110775642087
Energy: 12.98844236025993
Energy: 0.3733583131241993
Energy: 10.377326831738523
Energy: 0.38930320847492617
Energy: 15.675259047900278
Energy: 0.3783255222399124
Energy: 0.3734412443396901
Energy: 15.671956566267804
Energy: 0.39547861864342665
Energy: 14.58848971833166
Energy: 19.040203565926777
Energy: 18.00322786899773
Energy: 0.3734804257485423
Energy: 19.833670203044598
Energy: 18.96233889539848
Energy: 0.37262178064386403
Energy: 17.851246501959288
Energy: 0.38255445719313397
Energy: 0.3932185914358032
Energy: 18.47523244704232
Energy: 17.352713003481632
Energy: 26.41952815605167
Energy: 0.3684999786491599
Energy: 0.37207951496568187
Energy: 0.3738508974607203
Energy: 0.3685332791438982
Energy: 0.38650270398982306
Energy: 0.3880809037801899
Energy: 0.3654299004251117
Energy: 0.37412421924008776
Energy: 0.37469367916828056
Energy: 0.36596768852326234
Energy: 0.38900804043384657
Energy: 0.3724278755065751
Energy: 11.757678816682875
Energy: 18.313197140675246
Energy: 17.042979502872896
Energy: 12.357353418352785
Energy: 19.097682476875317
Energy: 0.3519530321333226
Energy: 11.666570830470857
Energy: 0.35628906727115356
Energy: 0.3520632654977504
Energy: 11.98385845056792
Energy: 0.3664558510769723
Energy: 16.903637859217795
Energy: 0.3683925671784771
Energy: 0.37022980832454605
Energy: 20.431103180631283
Energy: 0.3642304972342068
Energy: 0.37948738238289825
Energy: 22.26713384614538
Energy: 0.3698161040460693
Energy: 18.54262973613826
Energy: 20.59885456273215
Energy: 0.363917376506872
Energy: 0.371071394373601
Energy: 21.542441062523647
Energy: 0.3879943598360961
Energy: 12.359110478909134
Energy: 11.903618040017639
Energy: 0.388875653092096
Energy: 12.506160920637994
Energy: 11.536667290057936
Energy: 11.093944679526109
Energy: 12.802357946943166
Energy: 12.80360211627277
Energy: 11.127819611470173
Energy: 12.9044087077182
Energy: 0.37417629293410654
Energy: 0.3647450058137176
Energy: 26.31388524758619
Energy: 19.22967608654428
Energy: 0.357046387064733
Energy: 14.505167662483409
Energy: 20.560507707429625

minimum gb energy = 0.3519530321333226 eV
minimum distance =  1.09805143539493 Angstroms
sigma value = 33


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

Energy: 0.011030575087750655
Energy: 39.91236805942177
Energy: 0.011604928607425442
Energy: 0.01224319182761157
Energy: 40.63121012014839
Energy: 0.011396345383658192
Energy: 39.34423955665064
Energy: 40.20000515823332
Energy: 40.677270822133586
Energy: 39.619680879201795
Energy: 40.02724558209534
Energy: 41.5212685787638
Energy: 0.5511759231165808
Energy: 59.0308736420699
Energy: 0.36112726296121156
Energy: 0.36081059401736404
Energy: 61.947571336547185
Energy: 0.36108856453712573
Energy: 39.34423955665064
Energy: 40.20000515823332
Energy: 40.677270822133586
Energy: 39.619680879201795
Energy: 40.02724558209534
Energy: 41.5212685787638

minimum gb energy = 0.011030575087750655 eV
minimum distance =  1.21848507661489 Angstroms
sigma value = 1