Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614728152751923
cohesive_energy=3.524844861148951
mass=63.546
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=[6.65502517171116e-20, 1.313270541180486e-19, 2.0094018690637798e-19, 2.71466400158424e-19, 3.3741679694376595e-19, 3.9195168521185796e-19, 4.2979189295366997e-19, 4.532749958782079e-19, 4.66800571022436e-19, 4.75833642884928e-19, 4.86529774093512e-19, 4.98799242756684e-19, 5.11180863784236e-19, 5.223240022737059e-19, 5.311551998803139e-19, 5.387431084189379e-19, 5.452287194333699e-19, 5.50663302575898e-19, 5.551157514417839e-19, 5.586725835692639e-19, 5.61367444667652e-19, 5.632371847995299e-19, 5.64337880147088e-19, 5.64698369889738e-19, 5.643090409676759e-19, 5.632451956826999e-19, 5.609861266287599e-19, 5.57506198979712e-19, 5.52577903653528e-19, 5.45922461915892e-19, 5.37203416673664e-19, 5.260058041786379e-19, 5.11824938791104e-19, 4.94064810803214e-19, 4.718970948951899e-19, 4.44373302499704e-19, 4.10258155431942e-19, 3.67976714060682e-19, 3.1566564696058198e-19, 2.50384960008252e-19, 1.68766877919024e-19, 6.62174796302298e-20, -6.3835523628462e-20, -2.3019753441985197e-19, -4.453394150100059e-19, -7.276493466273419e-19, -1.10449250618058e-18, -1.6175895732190799e-18, -2.33515642228866e-18, -3.3707713549735797e-18, -4.928711892108839e-18, -7.4034980080506e-18, -1.1641223161447919e-17, -1.9738175260226397e-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: 0.0 eV

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

Energy: 0.01359585080944915
Energy: 0.42263801426186637
Energy: 0.014056312234132293
Energy: 0.013850514476125083
Energy: 0.4187834298232686
Energy: 0.014000947396753298
Energy: 0.422638014261239
Energy: 0.11649318399581063
Energy: 0.0976716461514292
Energy: 0.10066249695376842
Energy: 0.09794378191734929
Energy: 0.101010205069504
Energy: 0.01405631223381864
Energy: 0.0976716461514292
Energy: 0.11805698421452501
Energy: 0.014076307572337465
Energy: 0.09636705406548034
Energy: 0.11810187941244465
Energy: 0.01385051447581143
Energy: 0.1006624969531411
Energy: 0.014076307572337465
Energy: 0.013792832312479396
Energy: 0.1007525540221915
Energy: 0.014036047439582243
Energy: 0.4187834298235823
Energy: 0.09794378191734929
Energy: 0.09636705406520153
Energy: 0.10075255402187785
Energy: 0.11771919861949809
Energy: 0.09623317951477257
Energy: 0.014000947397380607
Energy: 0.101010205069504
Energy: 0.11810187941275832
Energy: 0.014036047439582243
Energy: 0.09623317951414527
Energy: 0.014134205304383802

minimum gb energy = 0.01359585080944915 eV
minimum distance =  2.55161000243427 Angstroms
sigma value = 1


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

Energy: 1.1692283778429233
Energy: 0.6935580736599111
Energy: 0.7699710487275355
Energy: 0.7197083132491094
Energy: 1.0759298445314658
Energy: 0.7714577691456502
Energy: 1.0524343181498304
Energy: 0.691743508024389
Energy: 0.6955706383346293
Energy: 0.6827936012730257
Energy: 0.6908612612369893
Energy: 0.6836164656429436
Energy: 1.0026257110204637
Energy: 0.6867845249906426
Energy: 0.6914310394494929
Energy: 0.6965121284085557
Energy: 0.6863404334113077
Energy: 0.6887113302391485
Energy: 1.1593841265919411
Energy: 0.7008029792104155
Energy: 0.6913342790581012
Energy: 0.7055441329523154
Energy: 0.7041953892883261
Energy: 0.6967971905753261
Energy: 1.0524715028994243
Energy: 0.6966615243385349
Energy: 0.6954977753585955
Energy: 0.6825822175917996
Energy: 0.6887418647515889
Energy: 0.6931591791297239
Energy: 1.0503215338170455
Energy: 0.6854465240136174
Energy: 0.7034875426212364
Energy: 0.6939745793687266
Energy: 0.6881097625668635
Energy: 0.7036430626587253
Energy: 1.0520766683233107
Energy: 0.6428457616939798
Energy: 0.7060867552115275
Energy: 0.6946237053680485
Energy: 0.6470648634548178
Energy: 0.7052054561098817
Energy: 1.002366285150348
Energy: 0.6976329657982085
Energy: 0.7117033864163329
Energy: 0.6563563517094281
Energy: 0.6959129027781971
Energy: 0.6974334236039531
Energy: 0.8547171899793634
Energy: 0.6937462329922567
Energy: 0.6941051956132014
Energy: 0.6978279543733911
Energy: 0.7019733226700434
Energy: 0.6941162063705116
Energy: 0.8504509684244088
Energy: 0.68256311845193
Energy: 0.6947216218277493
Energy: 0.6886233667579922
Energy: 0.6834626281950503
Energy: 0.6957085780256377
Energy: 0.8290640166266755
Energy: 0.6755248501117553
Energy: 0.6762294924979378
Energy: 0.7359840939273229
Energy: 0.6742587749473699
Energy: 0.700661814885127
Energy: 0.7555317962569001
Energy: 0.6981458010723317
Energy: 0.6872624303702057
Energy: 0.6879268217040149
Energy: 0.6958263324179876
Energy: 0.6909349555767176
Energy: 0.7496545073378493
Energy: 0.683737145535773
Energy: 0.6838868491163054
Energy: 0.6989834094034992
Energy: 0.6953321097755825
Energy: 0.6838022937272505
Energy: 0.8078578570297805
Energy: 0.6992022403440847
Energy: 0.6973633437113449
Energy: 0.6931564380700507
Energy: 0.698521278982793
Energy: 0.6990185591638232
Energy: 0.783781323301235
Energy: 0.6813817144681288
Energy: 0.6925759383145853
Energy: 0.6996080110149455
Energy: 0.6820192902428878
Energy: 0.6950419661707672
Energy: 0.785759610759047
Energy: 0.649862662390133
Energy: 0.6984557587005809
Energy: 0.6952243072522599
Energy: 0.7037927995700666
Energy: 0.6965501773489949
Energy: 1.0094944139510766
Energy: 0.6936628604027016
Energy: 0.7008166679469504
Energy: 0.7051005945017054
Energy: 0.6924616285341234
Energy: 0.6945635240143841
Energy: 0.9513462797168678
Energy: 0.6952406943458269
Energy: 0.7051034085358495
Energy: 0.7058827941308956
Energy: 0.6941891319963656
Energy: 0.7147034098752375
Energy: 0.9529585943668726
Energy: 0.7115890227978735
Energy: 0.7150746306616776
Energy: 0.6944785776080474
Energy: 0.7055373424659044
Energy: 0.7150055958627243
Energy: 1.0009688181978211
Energy: 0.7056457527532023
Energy: 0.7155411576357593
Energy: 0.694673991083128
Energy: 0.6960517784589071
Energy: 0.7150771216035244
Energy: 1.0936536753720694
Energy: 0.6915228758808398
Energy: 0.6792607107314272
Energy: 0.6894567094004088
Energy: 0.697591170249712
Energy: 0.676180733208681
Energy: 1.1006342892541636
Energy: 0.6864107397452751
Energy: 0.6986536400494736
Energy: 0.6905351500122776
Energy: 0.6863177689420121
Energy: 0.6973104755415429
Energy: 1.0895193869787982
Energy: 0.6906619322640597
Energy: 0.6947972202999821
Energy: 0.6749966356959793
Energy: 0.6982660019916692
Energy: 0.6834459545111269

minimum gb energy = 0.6428457616939798 eV
minimum distance =  2.3936510839323 Angstroms
sigma value = 33


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

Energy: 1.4864892064774056
Energy: 0.763241236719857
Energy: 0.7545329506446178
Energy: 0.7531238358361771
Energy: 0.768435870925695
Energy: 0.8394415416457626
Energy: 0.8207114349190033
Energy: 0.7291482481272779
Energy: 0.7240958888927408
Energy: 0.7386087168148462
Energy: 0.7474578476277552
Energy: 0.7248413338752377
Energy: 0.7924714281702708
Energy: 0.7136225932815747
Energy: 0.7311133664061443
Energy: 0.790435969835375
Energy: 0.6994011278342994
Energy: 0.741178844603727
Energy: 1.1729712844606583
Energy: 0.8073291994040692
Energy: 0.7257847045702913
Energy: 0.7799691973837742
Energy: 0.7546475017564267
Energy: 0.7814368185298868
Energy: 0.7882462956202713
Energy: 0.7293752559226415
Energy: 0.7300549378602909
Energy: 0.7269966290530604
Energy: 0.7503746916623137
Energy: 0.734392232433111
Energy: 1.0986259679763903
Energy: 0.7573392720283786
Energy: 0.7498587525549134
Energy: 0.8027152780718539
Energy: 0.8103378769126247
Energy: 0.8548226939775476
Energy: 1.0978273913920145
Energy: 0.7792164938581062
Energy: 0.7694459658288701
Energy: 0.7961485535061669
Energy: 0.7741370704250076
Energy: 0.7862825424980351
Energy: 0.8004788878635049
Energy: 0.8024002810393398
Energy: 0.8025961523395068
Energy: 0.7409494435491881
Energy: 0.8025416592832447
Energy: 0.7843383181253615
Energy: 0.7652763751034024
Energy: 0.7912645856308815
Energy: 0.7715465959670564
Energy: 0.8175938229797466
Energy: 0.7897108661903077
Energy: 0.8058150353018272
Energy: 0.7856537983666267
Energy: 0.804198189280927
Energy: 0.8038254637512169
Energy: 0.7838425920590523
Energy: 0.8644301824135866
Energy: 0.8020080017933303
Energy: 0.8536606940240571
Energy: 0.7562109950612335
Energy: 0.7566534731781315
Energy: 0.8477812662744698
Energy: 0.7759382678421388
Energy: 0.7928429080224756
Energy: 0.8232432864872173
Energy: 0.736766158354158
Energy: 0.7843426376016244
Energy: 0.823711891358328
Energy: 0.7928469123723614
Energy: 0.7799270401903432
Energy: 0.8084636831714654
Energy: 0.7529843088409857
Energy: 0.7555776373268238
Energy: 0.811934556238868
Energy: 0.7531816777876545
Energy: 0.7556796519237556
Energy: 0.8929426613624215
Energy: 0.7813838286158937
Energy: 0.7814529230368938
Energy: 0.8891611907453542
Energy: 0.7804842082736516
Energy: 0.7819059959158917
Energy: 0.8191535573810934
Energy: 0.779802262263523
Energy: 0.8030756819371302
Energy: 0.8025050021158675
Energy: 0.780849259519789
Energy: 0.7789694726746518
Energy: 0.8091731683674485
Energy: 0.8020542124106831
Energy: 0.8026442979436488
Energy: 0.8117402469313267
Energy: 0.8892122349861257
Energy: 0.8776215486672375
Energy: 0.9640821823314324
Energy: 0.8384345266191663
Energy: 0.8566895511676262
Energy: 0.7983187408073271
Energy: 0.7805564607325303
Energy: 0.7876595058448009
Energy: 1.037746373330602
Energy: 0.7984369774351658
Energy: 0.7817132205125633
Energy: 0.7931873377728934
Energy: 0.793452311823971
Energy: 0.8026672757447796
Energy: 0.7881956495107725
Energy: 0.8765622589666952
Energy: 0.8767310061426123
Energy: 0.7902661071157308
Energy: 0.8776251716768088
Energy: 0.8772215077588991
Energy: 0.7050822613699448
Energy: 0.8527124892141044
Energy: 0.8728967586432943
Energy: 0.8294081718026874
Energy: 0.8575870969563403
Energy: 0.8736588750553005
Energy: 0.8204839645813189
Energy: 0.8023988573008727
Energy: 0.7908089441919478
Energy: 0.7697736619654038
Energy: 0.802219342039729
Energy: 0.779820657808345
Energy: 0.7757084838225771
Energy: 0.8682361844529222
Energy: 0.8529073798044455
Energy: 0.8015020314975365
Energy: 0.880872683293185
Energy: 0.8514496128128989
Energy: 0.9794299905225781
Energy: 0.850152299004995
Energy: 0.8567719417790309
Energy: 0.8287041712319925
Energy: 0.8836984518735672
Energy: 0.8719260662870238
Energy: 1.2218920858476852
Energy: 0.8824973778221121
Energy: 0.8070488569495745
Energy: 0.7838408980930605
Energy: 0.8849528084717925
Energy: 0.8081100066318342
Energy: 0.9736006943909968
Energy: 0.7797527387292142
Energy: 0.7727329706206368
Energy: 0.8286391281904814
Energy: 0.886872873119124
Energy: 0.8297994872715067
Energy: 0.8167271991018471
Energy: 0.8928602005133723
Energy: 0.877364751611074
Energy: 0.7616834489313973
Energy: 0.8935605619491002
Energy: 0.8719698183912302
Energy: 0.8018451402824502
Energy: 0.7923596883821572
Energy: 0.7909744832005304
Energy: 0.7671952905747683
Energy: 0.7943165309837689
Energy: 0.7917392991761901
Energy: 0.9605198118774761
Energy: 0.794963455347278
Energy: 0.8022954440514399
Energy: 0.7993119588513296
Energy: 0.7914490364891309
Energy: 0.8078847192041706
Energy: 0.8075320526245058
Energy: 0.8024174629513142
Energy: 0.8028908791061403
Energy: 0.7899334602932593
Energy: 0.7932708706818392
Energy: 0.808756081131941
Energy: 0.9123587319520466
Energy: 0.8712947693506593
Energy: 0.7964392136723661
Energy: 0.778017166285559
Energy: 0.7763742965929225
Energy: 0.799467283189105
Energy: 0.9610297190839718
Energy: 0.7799625862459079
Energy: 0.7801733231131431
Energy: 0.7981219322104618
Energy: 0.7435647401876166
Energy: 0.7471185908553409
Energy: 0.7953851147865622
Energy: 0.7551123241096247
Energy: 0.7652035388028937
Energy: 0.7850719706028928
Energy: 0.7580218824537087
Energy: 0.779810952118233
Energy: 0.7947403969282796
Energy: 0.7691272726059959
Energy: 0.805334686079759
Energy: 0.7932855646619499
Energy: 0.7690594897067254
Energy: 0.8069506031898946
Energy: 0.7931639726235868
Energy: 0.7813148131588653
Energy: 0.7811832288120332
Energy: 0.7910759621589925
Energy: 0.7814287919773736
Energy: 0.7814806498775168
Energy: 0.8252106073142845
Energy: 0.7661514387475561
Energy: 0.768616575052954
Energy: 0.8163127715728281
Energy: 0.77009001362459
Energy: 0.7920373236366485
Energy: 0.878224668970263
Energy: 0.7893924188841798
Energy: 0.7914480672827768
Energy: 0.810118402901379
Energy: 0.8322273003705148
Energy: 0.8238356908405677
Energy: 0.8218033300805873
Energy: 0.7460867585621358
Energy: 0.7204392568845132
Energy: 0.7438384276090062
Energy: 0.7419653399109173
Energy: 0.7487719805231633
Energy: 0.7903886249330315
Energy: 0.8118733650932032
Energy: 0.7587613941702077
Energy: 0.7898087378799284
Energy: 0.7316478250446364
Energy: 0.7255335946918352
Energy: 1.0376012373160353
Energy: 0.7136966507788671
Energy: 0.7576541804581785
Energy: 0.7998278358964345
Energy: 0.7244360366174104
Energy: 0.8021193373507217
Energy: 0.7203292976304331
Energy: 0.7443881315692131
Energy: 0.7421171556831573
Energy: 0.7238613270249773
Energy: 0.7441935737369826
Energy: 0.7429008466032082
Energy: 0.7940459817256097
Energy: 0.7419522109078815
Energy: 0.7295948799434462
Energy: 0.7014343174025282
Energy: 0.74751521569944
Energy: 0.7713074109468346

minimum gb energy = 0.6994011278342994 eV
minimum distance =  2.29138792153447 Angstroms
sigma value = 51


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

Energy: 1.207722105560173
Energy: 0.7588168984730788
Energy: 0.746608931834988
Energy: 0.7253080913846128
Energy: 0.7577457244885291
Energy: 0.7980915929783147
Energy: 0.9270639117806884
Energy: 0.7494342643086488
Energy: 0.7386937771172396
Energy: 0.6980656843061244
Energy: 0.7595244961802651
Energy: 0.7064777356461969
Energy: 1.0912274949566831
Energy: 0.7705267483532541
Energy: 0.74929149026043
Energy: 0.7338536833172729
Energy: 0.7577385813231576
Energy: 0.7428856253502102
Energy: 1.0847569596983944
Energy: 0.7436089702570667
Energy: 0.741164017103668
Energy: 0.7133610910806981
Energy: 0.7416753601370948
Energy: 0.7502225687987633
Energy: 0.9284400082940736
Energy: 0.7018646932894902
Energy: 0.7099283703488899
Energy: 0.7067837436668671
Energy: 0.7813439027022745
Energy: 0.7092808926547369
Energy: 0.9283804136641138
Energy: 0.6978080975765408
Energy: 0.697071613545297
Energy: 0.7059120611966129
Energy: 0.7040652214882452
Energy: 0.6969073209664516
Energy: 0.9281513027571212
Energy: 0.7001276934790257
Energy: 0.6989211618626162
Energy: 0.7059218455337031
Energy: 0.7156405195693537
Energy: 0.6976129889255172
Energy: 0.9099333009858694
Energy: 0.675077419184248
Energy: 0.6749633698533681
Energy: 0.7414426666896642
Energy: 0.6748639587851587
Energy: 0.7369318531899988
Energy: 0.7776693449293653
Energy: 0.7525080460945278
Energy: 0.7514934279215753
Energy: 0.7592729024887308
Energy: 0.7375168942257633
Energy: 0.7417021846293217
Energy: 0.7772316092456822
Energy: 0.715963478897621
Energy: 0.7277909723095081
Energy: 0.7778747809871392
Energy: 0.7153489471833308
Energy: 0.735311895343372
Energy: 0.7848908783713472
Energy: 0.7390200034071931
Energy: 0.7386919086871696
Energy: 0.7284994377251102
Energy: 0.7093376852207278
Energy: 0.7383229265628369
Energy: 0.815689153986635
Energy: 0.7092983041211407
Energy: 0.7064048817688479
Energy: 0.7483995352780554
Energy: 0.7059289992071915
Energy: 0.7347772205787368
Energy: 0.8154293354679915
Energy: 0.7397295962942733
Energy: 0.7355616245638786
Energy: 0.7768668231026733
Energy: 0.7545054322739565
Energy: 0.7644370364591241
Energy: 0.816122061438644
Energy: 0.7151773847290457
Energy: 0.7179122031404145
Energy: 0.7511262778200437
Energy: 0.6981761889014287
Energy: 0.7176200900975601
Energy: 0.9906827064366729
Energy: 0.745505575877275
Energy: 0.7283199266426267
Energy: 0.7478420873623989
Energy: 0.7264041946662758
Energy: 0.7265318457180995
Energy: 0.9919845283916228
Energy: 0.7690068966011204
Energy: 0.7553107082373427
Energy: 0.6782243200800181
Energy: 0.7698645253442161
Energy: 0.7163889588409872
Energy: 0.9993998399587618
Energy: 0.7692704978873365
Energy: 0.7466529519872105
Energy: 0.7136148970641792
Energy: 0.7703794630518777
Energy: 0.731376304718632
Energy: 1.1767946579040849
Energy: 0.7296282001672157
Energy: 0.7328345945984037
Energy: 0.6736806305851056
Energy: 0.7487886299448211
Energy: 0.704436784882157

minimum gb energy = 0.6736806305851056 eV
minimum distance =  2.39566224843673 Angstroms
sigma value = 19


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

Energy: 1.0222394417101495
Energy: 0.7357630286131672
Energy: 0.8033726019985898
Energy: 0.8063054214809606
Energy: 0.7320752432904312
Energy: 0.8050286107691051
Energy: 0.8761459722450441
Energy: 0.7323273527847836
Energy: 0.7323768730521334
Energy: 0.7591058730348561
Energy: 0.732498012470118
Energy: 0.7327846311289926
Energy: 0.8778756638335609
Energy: 0.7323069024541763
Energy: 0.7332278927219317
Energy: 0.7646824398854811
Energy: 0.7324084651200736
Energy: 0.7328689813135304
Energy: 0.8692483184488905
Energy: 0.7320415495709659
Energy: 0.7320839779735366
Energy: 0.7526299083465368
Energy: 0.7321336867630261
Energy: 0.7329639295137099
Energy: 0.8759643787569898
Energy: 0.7324206082051707
Energy: 0.7577773590795451
Energy: 0.7603286585700129
Energy: 0.7323565023481892
Energy: 0.7579326401626126
Energy: 0.8772844659167343
Energy: 0.7122933391559969
Energy: 0.7572461135164236
Energy: 0.7610136765227001
Energy: 0.7122863048571881
Energy: 0.7601049860483565
Energy: 0.8804238745065847
Energy: 0.7597704265080626
Energy: 0.7578981897339225
Energy: 0.7604201308255135
Energy: 0.7197543587400215
Energy: 0.7593920143731682
Energy: 0.8200566461438525
Energy: 0.7218685835635116
Energy: 0.7224754502727309
Energy: 0.7329585293874747
Energy: 0.720494676530445
Energy: 0.7228541801515307
Energy: 0.7324652599927737
Energy: 0.7188040482964508
Energy: 0.7190572567529763
Energy: 0.732348556647724
Energy: 0.7195690809094897
Energy: 0.7128400622696561
Energy: 0.7337354749852996
Energy: 0.7435414597102665
Energy: 0.73291837542805
Energy: 0.7321431756268173
Energy: 0.763287522744496
Energy: 0.7326483035529457
Energy: 0.7307067601752623
Energy: 0.7699637588599915
Energy: 0.7720427783733583
Energy: 0.731239127762444
Energy: 0.7542136728458317
Energy: 0.7330445813704133
Energy: 0.8772191306475206
Energy: 0.7637145087431265
Energy: 0.7583934224683851
Energy: 0.7329808883443605
Energy: 0.7655669034752223
Energy: 0.7327877531909452
Energy: 0.711982830297531
Energy: 0.7591550709702025
Energy: 0.7600299543193881
Energy: 0.7146405668762332
Energy: 0.7597193288305572
Energy: 0.760083603178632
Energy: 0.8751621266900403
Energy: 0.7596347779867577
Energy: 0.7598172388800476
Energy: 0.7327543177055382
Energy: 0.759741684972193
Energy: 0.7606443280174389
Energy: 1.0283384071353676
Energy: 0.7329539229534818
Energy: 0.7327676678571808
Energy: 0.7207897934754748
Energy: 0.7323422852668103
Energy: 0.7135063294300119
Energy: 1.0269230321454157
Energy: 0.7589992615107926
Energy: 0.7192856411357512
Energy: 0.7211164138584921
Energy: 0.7326973129519876
Energy: 0.724252507923351
Energy: 0.878053512380959
Energy: 0.7324156279208797
Energy: 0.7329518547924514
Energy: 0.760710862430111
Energy: 0.7320557262375429
Energy: 0.7327535147804929
Energy: 0.8696878559831511
Energy: 0.7321539315530972
Energy: 0.7323800217015212
Energy: 0.7530053356799867
Energy: 0.7318579329595505
Energy: 0.7332140512837128
Energy: 0.8667368173083368
Energy: 0.732484516571519
Energy: 0.7325945154309395
Energy: 0.7529518129959745
Energy: 0.7334554123153082
Energy: 0.7319324327010198
Energy: 0.8755306695257784
Energy: 0.7122164116853809
Energy: 0.7582859697837664
Energy: 0.7594949244880937
Energy: 0.7120773721692455
Energy: 0.7568034569301777
Energy: 0.8703586223564931
Energy: 0.7592635910143594
Energy: 0.7588233278656011
Energy: 0.7604196001206078
Energy: 0.7326488491872322
Energy: 0.7589056157496855
Energy: 0.8762685479650576
Energy: 0.7579524350024243
Energy: 0.7584857884729586
Energy: 0.7343431424048592
Energy: 0.7204463603339456
Energy: 0.7577698386993558
Energy: 0.8217739052329321
Energy: 0.7127073096832736
Energy: 0.7178242193470645
Energy: 0.8229849767942521
Energy: 0.7193227478901358
Energy: 0.7194646856249005
Energy: 0.7327901103120105
Energy: 0.7348673307470859
Energy: 0.7328021651813255
Energy: 0.7326184102156778
Energy: 0.7489178763764578
Energy: 0.732689928369751
Energy: 0.7326121571427827
Energy: 0.7595112615833162
Energy: 0.7328923390466089
Energy: 0.7329006185648694
Energy: 0.7644365041364126
Energy: 0.7329405166576994
Energy: 0.822424945110663
Energy: 0.7535357878015739
Energy: 0.7557390720213208
Energy: 0.7328080544177692
Energy: 0.7529782997300415
Energy: 0.7317797990790311
Energy: 0.8762112494999378
Energy: 0.7609762368454488
Energy: 0.7585887594109618
Energy: 0.7326778407550621
Energy: 0.7662659791102057
Energy: 0.7583375625353183
Energy: 0.7119791647652385
Energy: 0.7626424913405848
Energy: 0.7593358615945937
Energy: 0.7121025739056068
Energy: 0.7600586232525681
Energy: 0.756996173012149
Energy: 0.8224275185265908
Energy: 0.7637280454311535
Energy: 0.7593712247228253
Energy: 0.7200991376298714
Energy: 0.7594053464238237
Energy: 0.7581960065249777
Energy: 1.0292020902739538
Energy: 0.7329734783964628
Energy: 0.7181586022002843
Energy: 0.720306551993784
Energy: 0.7336517884559354
Energy: 0.7204620755178555

minimum gb energy = 0.7119791647652385 eV
minimum distance =  2.42089620776915 Angstroms
sigma value = 27


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

Energy: 0.8676115160123024
Energy: 0.6920624244727537
Energy: 0.7720200920243045
Energy: 0.6959791318309337
Energy: 0.690949187882958
Energy: 0.771148970691139
Energy: 0.8482041746301234
Energy: 0.6701946992264906
Energy: 0.6273730806020382
Energy: 0.6605434152411821
Energy: 0.7310112115215468
Energy: 0.6274599201929326
Energy: 0.7789666248147319
Energy: 0.6701568322552521
Energy: 0.6710181801650728
Energy: 0.6275378068949206
Energy: 0.7322095120380414
Energy: 0.6696086132540654
Energy: 0.7804342206490096
Energy: 0.6270311028118999
Energy: 0.6272416215577665
Energy: 0.6625991354476057
Energy: 0.6304652131988094
Energy: 0.6268068609169665
Energy: 0.8488076338776825
Energy: 0.6320863851389065
Energy: 0.6292445390907663
Energy: 0.6900527507192578
Energy: 0.6770660733782959
Energy: 0.6293981459607277
Energy: 0.7332331665796775
Energy: 0.673841559341607
Energy: 0.6847199565370582
Energy: 0.7333308949490901
Energy: 0.6733929206037901
Energy: 0.6451065712822145
Energy: 0.7339695818767966
Energy: 0.6589183147028725
Energy: 0.6616855543771877
Energy: 0.7321226686899296
Energy: 0.659621224528866
Energy: 0.6691132480534596
Energy: 0.7316299939249207
Energy: 0.6576105199843841
Energy: 0.6566624491468984
Energy: 0.7315758456796592
Energy: 0.6578730246062463
Energy: 0.6569838070053728
Energy: 0.7781931252353961
Energy: 0.6271654021030136
Energy: 0.6606123649675574
Energy: 0.731509327543612
Energy: 0.6566450761622245
Energy: 0.6283077853799514
Energy: 0.7792442398684637
Energy: 0.6590375805412257
Energy: 0.6591166703425847
Energy: 0.7047471552517096
Energy: 0.662189189712617
Energy: 0.6693435755896117
Energy: 0.780528853396552
Energy: 0.7013275001769246
Energy: 0.7023572128886446
Energy: 0.6701907646308723
Energy: 0.7025176677594445
Energy: 0.7038933394205387
Energy: 0.7778762734478109
Energy: 0.6694641636963733
Energy: 0.6275239570465112
Energy: 0.66094643100718
Energy: 0.6706175061238291
Energy: 0.6273754476851269

minimum gb energy = 0.6268068609169665 eV
minimum distance =  2.41938978576214 Angstroms
sigma value = 9


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

Energy: 1.4409436873611985
Energy: 0.6699552836604528
Energy: 0.6064593117744372
Energy: 0.6114828083756766
Energy: 0.6704311565458935
Energy: 0.6121711395897563
Energy: 0.6585972080921372
Energy: 0.5897710498177293
Energy: 0.6164028734122315
Energy: 0.5956586780707817
Energy: 0.6270496381462307
Energy: 0.5979119823771468
Energy: 0.659168751296104
Energy: 0.5943193257190564
Energy: 0.6194337080414917
Energy: 0.6167142878078179
Energy: 0.6284690791764853
Energy: 0.6115611936315027
Energy: 0.6599564614739031
Energy: 0.5790873829169676
Energy: 0.5783976158299928
Energy: 0.6101325290583454
Energy: 0.5817646583163074
Energy: 0.5783496188277306
Energy: 0.6934875142130159
Energy: 0.5875551149879225
Energy: 0.6054113119021889
Energy: 0.6242904592087871
Energy: 0.5957189746267543
Energy: 0.6054958230554195
Energy: 0.6362097895083492
Energy: 0.5722167211215419
Energy: 0.5921749504399878
Energy: 0.6361154262719557
Energy: 0.6033338518307592
Energy: 0.5788680089817224
Energy: 0.6382759533581414
Energy: 0.5787683323350526
Energy: 0.5785231647062374
Energy: 0.6370296641542511
Energy: 0.5814482397198804
Energy: 0.5802430192232768
Energy: 0.6500989675170364
Energy: 0.5939637481617218
Energy: 0.6080361008578461
Energy: 0.6504409769907619
Energy: 0.6018335375946676
Energy: 0.5828234852243143
Energy: 0.750873287002097
Energy: 0.6054307726468533
Energy: 0.6245032443112828
Energy: 0.6236917542673571
Energy: 0.6178192333235308
Energy: 0.5754851491243878
Energy: 0.6110180035576006
Energy: 0.5834468877076999
Energy: 0.5784569101232709
Energy: 0.6049080050227797
Energy: 0.580027093773161
Energy: 0.5767402151561669
Energy: 0.605144962426737
Energy: 0.6126624912052827
Energy: 0.6192475125259781
Energy: 0.6070289504357071
Energy: 0.6354975309958997
Energy: 0.6182222164045155
Energy: 0.767571486844043
Energy: 0.6172641454427983
Energy: 0.6254420728109307
Energy: 0.5935615575568138
Energy: 0.636327738497301
Energy: 0.5787638433233704
Energy: 0.8800999934047519
Energy: 0.611740550444725
Energy: 0.5920497497609853
Energy: 0.5964393122902998
Energy: 0.613781987692269
Energy: 0.6193472237194217
Energy: 0.7645301610152687
Energy: 0.605404921925969
Energy: 0.6054915544845498
Energy: 0.5932597002275003
Energy: 0.604800740889513
Energy: 0.6052712869929442
Energy: 0.628529139232803
Energy: 0.5989007306918804
Energy: 0.59836182343313
Energy: 0.6281688800384031
Energy: 0.6009639256805848
Energy: 0.6456632749140199
Energy: 0.628147031468632
Energy: 0.5968455353081964
Energy: 0.6107608211784026
Energy: 0.6293834634738996
Energy: 0.6100254798809611
Energy: 0.6040199088131226
Energy: 0.6268646459394005
Energy: 0.5731683389634263
Energy: 0.5738133760268633
Energy: 0.6275213440517713
Energy: 0.5890217917629469
Energy: 0.6016120285934835
Energy: 0.6838788174250097
Energy: 0.5777039898966756
Energy: 0.6037527313770552
Energy: 0.6123697807815138
Energy: 0.608626237829731
Energy: 0.5971796099220333
Energy: 0.6598171635780067
Energy: 0.5936196952040851
Energy: 0.5960152800551314
Energy: 0.6049652917399607
Energy: 0.5926873335362635
Energy: 0.5990679108449537
Energy: 0.6590443400992293
Energy: 0.6069610090400022
Energy: 0.594021005894794
Energy: 0.6065499438107228
Energy: 0.6065028670533008
Energy: 0.5997418401408359
Energy: 0.6600151619816029
Energy: 0.6024280149516473
Energy: 0.5964803008716949
Energy: 0.6063956491812967
Energy: 0.6198175926819619
Energy: 0.5991673968405168
Energy: 0.696824589143921
Energy: 0.5841713237620424
Energy: 0.5946747869781288
Energy: 0.5974507705816476
Energy: 0.5895152751836176
Energy: 0.5920387735623619
Energy: 0.7052232823818505
Energy: 0.5884217916618548
Energy: 0.6191708836220925
Energy: 0.5969945756847755
Energy: 0.6127078852648825
Energy: 0.5760699644415401
Energy: 0.6588581542205278
Energy: 0.5939889385017735
Energy: 0.6037290761910953
Energy: 0.618686498360225
Energy: 0.6281492828055799
Energy: 0.601015026950455
Energy: 0.8867201299548628
Energy: 0.6347006692678988
Energy: 0.6085783277026517
Energy: 0.5965145747089005
Energy: 0.6294184036002177
Energy: 0.6069641042325556
Energy: 0.6582076434122377
Energy: 0.5784656714453601
Energy: 0.5742455683166615
Energy: 0.6281297840222477
Energy: 0.5902030729499709
Energy: 0.6058112603350136
Energy: 0.6131280321183346
Energy: 0.5746762318475512
Energy: 0.5792701375957438
Energy: 0.6133983719832904
Energy: 0.5799261681940067
Energy: 0.5769123165327109
Energy: 0.6358791341623284
Energy: 0.5745603953662637
Energy: 0.5749398865154031
Energy: 0.6361829200647356
Energy: 0.5901043840055678
Energy: 0.5797211856855453
Energy: 0.6358455915045704
Energy: 0.5805655399573243
Energy: 0.6074458696607323
Energy: 0.636040761578365
Energy: 0.6040682415536948
Energy: 0.6243243207332883
Energy: 0.6379658628439114
Energy: 0.6149906075549831
Energy: 0.5817870841343674
Energy: 0.6050893076137952
Energy: 0.6020332546683037
Energy: 0.5786285137522534
Energy: 0.6056876630379336
Energy: 0.5795761491159946
Energy: 0.5804092193021645
Energy: 0.6063687610042504
Energy: 0.6029958519583434
Energy: 0.6217973431597431
Energy: 0.6087882248104434
Energy: 0.6075252286637679
Energy: 0.5820435151605069
Energy: 0.6047064510358496
Energy: 0.635162532767082
Energy: 0.5767220498483875
Energy: 0.7684609980469465
Energy: 0.6164072275068454
Energy: 0.6338079615795231
Energy: 0.6057207089614136
Energy: 0.6380942874918277
Energy: 0.578862002901469
Energy: 0.6535555427573635
Energy: 0.6167411914155513
Energy: 0.6057119847861668
Energy: 0.603298841086407
Energy: 0.6354793507225119
Energy: 0.5779011159305846
Energy: 0.6504274681240002
Energy: 0.5926632543270983
Energy: 0.6019714325373691
Energy: 0.6069058335148302
Energy: 0.6246840141787418
Energy: 0.6057520143504671
Energy: 0.6564026144394554
Energy: 0.5988047517979088
Energy: 0.5976531271644557
Energy: 0.6131780001323632
Energy: 0.6010441106765325
Energy: 0.5837093820870929
Energy: 0.6285858672625603
Energy: 0.5986907091435517
Energy: 0.6164737210295608
Energy: 0.6292682035852337
Energy: 0.6082970508484139
Energy: 0.6128411265099913
Energy: 0.6269842079694286
Energy: 0.596552979215966
Energy: 0.5970102342644648
Energy: 0.62678820397611
Energy: 0.5953618890213964
Energy: 0.6008703709348331
Energy: 0.6479970577766486
Energy: 0.5790331358640313
Energy: 0.5791994605255574
Energy: 0.5892404533727859
Energy: 0.5834620954229673
Energy: 0.6330943475925292
Energy: 0.6583983121065204
Energy: 0.5974216247445917
Energy: 0.5982689990986374
Energy: 0.6270094450614129
Energy: 0.596284752589639
Energy: 0.5971396867383411
Energy: 0.6586692125321396
Energy: 0.5993040341080738
Energy: 0.6027726287867209
Energy: 0.6056066726616182
Energy: 0.5916080619919502
Energy: 0.6000231457999682
Energy: 0.660187620916714
Energy: 0.6087203371155988
Energy: 0.5946040523120386
Energy: 0.6044384518092334
Energy: 0.6076734339671739
Energy: 0.5949726377048455
Energy: 0.6946354762381602
Energy: 0.579810655800279
Energy: 0.603720481794931
Energy: 0.597112301168543
Energy: 0.613750319573796
Energy: 0.5755823619385207

minimum gb energy = 0.5722167211215419 eV
minimum distance =  2.37445546107686 Angstroms
sigma value = 57


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

Energy: 0.3142675135371456
Energy: 0.3546509582085513
Energy: 0.319619488237802
Energy: 0.3151736305998681
Energy: 0.3545312939933866
Energy: 0.32502825076436903
Energy: 0.3813077527930568
Energy: 0.33329698913363554
Energy: 0.33699790094102217
Energy: 0.35062697232820156
Energy: 0.3339832988206923
Energy: 0.333391684296785
Energy: 0.38677671807745967
Energy: 0.3351743226837569
Energy: 0.33640166350818707
Energy: 0.35653261125779523
Energy: 0.3550909145977937
Energy: 0.33838845824602376
Energy: 0.38796242341085807
Energy: 0.3368097563726173
Energy: 0.3381021701263476
Energy: 0.33560875417003655
Energy: 0.35613405590758884
Energy: 0.33703083869215167
Energy: 0.38120570841299334
Energy: 0.3283555088195965
Energy: 0.3298143960918811
Energy: 0.3537893507844155
Energy: 0.31676256591784013
Energy: 0.33592937024893504
Energy: 0.3554960056679099
Energy: 0.32228498211945433
Energy: 0.3294323390606772
Energy: 0.33860830485917937
Energy: 0.31960246709045387
Energy: 0.3291479252723614
Energy: 0.3480301446106941
Energy: 0.33294950617618657
Energy: 0.3370758894829675
Energy: 0.3498811076124602
Energy: 0.3303916675716633
Energy: 0.3355030546210182
Energy: 0.35366973027938603
Energy: 0.33595270955354894
Energy: 0.34038774914792175
Energy: 0.35426517975404265
Energy: 0.33310297188424187
Energy: 0.3420022816615621
Energy: 0.3810856307913006
Energy: 0.3353460978647762
Energy: 0.3368648537370621
Energy: 0.3544540339164832
Energy: 0.35279993162180767
Energy: 0.3375817981460838
Energy: 0.3200426490151926
Energy: 0.33777891425492346
Energy: 0.32448853514314496
Energy: 0.315626979654249
Energy: 0.35187452511610345
Energy: 0.3306559445209538
Energy: 0.3152537268557647
Energy: 0.3350082300389219
Energy: 0.33674839406635926
Energy: 0.31584909655024074
Energy: 0.331985069513877
Energy: 0.31975898170430755
Energy: 0.3820554172184077
Energy: 0.3410245837057801
Energy: 0.33348503187870154
Energy: 0.3547287691749724
Energy: 0.35228975601046275
Energy: 0.33317666597038204
Energy: 0.3843527114934798
Energy: 0.35585011058058985
Energy: 0.351570861814637
Energy: 0.33621353511560903
Energy: 0.3860207309619708
Energy: 0.3511839426014237
Energy: 0.3811136593496856
Energy: 0.349561110015709
Energy: 0.33468059963300506
Energy: 0.3518978410161202
Energy: 0.3520769826943393
Energy: 0.3340682139606649
Energy: 0.3870104972241757
Energy: 0.3192456245695615
Energy: 0.32360595765995503
Energy: 0.3539320154399354
Energy: 0.31640694412535275
Energy: 0.3265523305890864
Energy: 0.3514274160054862
Energy: 0.33636330857069846
Energy: 0.3343415207892604
Energy: 0.35364087267578304
Energy: 0.3177669396858718
Energy: 0.335861023398689
Energy: 0.3530885654742577
Energy: 0.33152597095182235
Energy: 0.3352601280340931
Energy: 0.355621850320714
Energy: 0.3460834708447334
Energy: 0.33722679619810747
Energy: 0.38473333901802953
Energy: 0.33499196606107834
Energy: 0.33682109416576606
Energy: 0.38557851525550646
Energy: 0.33388852395129537
Energy: 0.3402167439580019
Energy: 0.3152241192717499
Energy: 0.33392482539222984
Energy: 0.3377301233953372
Energy: 0.31602117902951626
Energy: 0.3321728602031037
Energy: 0.3365291498907463

minimum gb energy = 0.3142675135371456 eV
minimum distance =  2.44055631300394 Angstroms
sigma value = 11


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

Energy: 1.165527280858742
Energy: 0.47820377560807564
Energy: 0.49715712923085964
Energy: 0.5168618368074611
Energy: 0.47713633817871726
Energy: 0.49817127423853935
Energy: 0.47162401737426035
Energy: 0.4794000197960938
Energy: 0.48019677290737656
Energy: 0.47535280568039534
Energy: 0.4740397250570299
Energy: 0.48063244262289667
Energy: 0.4822670585921753
Energy: 0.4865453476864256
Energy: 0.47422549262921915
Energy: 0.4807012639707497
Energy: 0.48631095182795925
Energy: 0.4772478422591824
Energy: 0.4815506332577653
Energy: 0.47814721537941696
Energy: 0.4744171747162316
Energy: 0.480095382797605
Energy: 0.4776087155157778
Energy: 0.48071968914841134
Energy: 0.4781041960562849
Energy: 0.5342508646556042
Energy: 0.5325384111853134
Energy: 0.4755063186131559
Energy: 0.4769181095745027
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Energy: 0.48310633136619885
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Energy: 0.4776835247459735
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Energy: 0.49894844797330795
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Energy: 0.48094329348097403
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Energy: 0.47603957372040173
Energy: 0.47290679162824006
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Energy: 0.4763659182327161
Energy: 0.4821327461562643
Energy: 0.6640689598013498
Energy: 0.5266964831635801
Energy: 0.4748541296529911
Energy: 0.48338955162493225
Energy: 0.5276159518882547
Energy: 0.5389699667273533
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Energy: 0.5337494101918587
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Energy: 0.5930259895613889
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Energy: 0.5920716615859104
Energy: 0.5863767856901828
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Energy: 0.477445197743232
Energy: 0.5896587767945596
Energy: 0.5833096285503986
Energy: 0.5928694931949788
Energy: 0.4728106034704353
Energy: 0.47390492711023013
Energy: 0.5601345097521322
Energy: 0.48031751281953455
Energy: 0.49000851800415124
Energy: 0.7333336359319427
Energy: 0.5862053891753478
Energy: 0.5842753685146971
Energy: 0.5275942709882928
Energy: 0.5385646445891824
Energy: 0.5838531510642588
Energy: 0.7877707787082043
Energy: 0.47464002714199194
Energy: 0.46163110556686776
Energy: 0.7004132677707944
Energy: 0.4955038687452326
Energy: 0.4629701968457147
Energy: 0.9509375271744037
Energy: 0.5287373795589135
Energy: 0.5296418939241502
Energy: 0.4777458237217756
Energy: 0.5286417661503
Energy: 0.5844128700230822
Energy: 0.742739604225577
Energy: 0.4813555170143979
Energy: 0.48328014545835496
Energy: 0.479569930796977
Energy: 0.47984405218483184
Energy: 0.476153604367529
Energy: 0.6556941098236063
Energy: 0.47610213634008813
Energy: 0.4750515342992388
Energy: 0.596414180971394
Energy: 0.5176360296018604
Energy: 0.4726346497232269
Energy: 0.7324102881893556
Energy: 0.5367571272341756
Energy: 0.5307746196856239
Energy: 0.5274844331531743
Energy: 0.586375238679594
Energy: 0.5293767629248631
Energy: 0.681698852711692
Energy: 0.4902285796611018
Energy: 0.49048622242436773
Energy: 0.7366498845874169
Energy: 0.49297895031700373
Energy: 0.4589109121716756
Energy: 0.4780972700578572
Energy: 0.535807390985282
Energy: 0.534065924776446
Energy: 0.4798125409387844
Energy: 0.5372464952061727
Energy: 0.5302030007522235
Energy: 0.4771311881076028
Energy: 0.48007420976984816
Energy: 0.4750865608642166
Energy: 0.47742641876914
Energy: 0.4808693418297942
Energy: 0.47443948469924513
Energy: 0.5826384160677404
Energy: 0.4787946923364065
Energy: 0.4795282843058273
Energy: 0.48374238565322825
Energy: 0.4783854068678035
Energy: 0.47297361129530063
Energy: 0.5343020677581605
Energy: 0.47554367732536196
Energy: 0.47727754126611693
Energy: 0.4700585366543839
Energy: 0.4742575903859166
Energy: 0.4824793249919987

minimum gb energy = 0.4589109121716756 eV
minimum distance =  2.41102747934738 Angstroms
sigma value = 41


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

Energy: 1.1066117870617866
Energy: 0.5073830507751133
Energy: 0.5608317288035894
Energy: 0.6012233540773191
Energy: 0.5447434024092728
Energy: 0.5286398298428933
Energy: 0.5074281601683601
Energy: 0.5014568309735614
Energy: 0.5011375216907252
Energy: 0.5069638611693257
Energy: 0.5046038085629795
Energy: 0.5027224088694129
Energy: 0.5052158846624691
Energy: 0.5014596782923283
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Energy: 0.5038890415778815
Energy: 0.5036820503393458
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Energy: 0.5031036412747577
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Energy: 0.5078924716756891
Energy: 0.5180639656686242
Energy: 0.5055469837961464
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Energy: 0.5589375366641255
Energy: 0.5088859261090247
Energy: 0.5062935164890827
Energy: 0.5062219904386379
Energy: 0.5093366976158922
Energy: 0.5074408197322651
Energy: 0.5586151655781578
Energy: 0.5045467761090299
Energy: 0.5024942831642473
Energy: 0.5064683130622382
Energy: 0.5028581598795124
Energy: 0.500620064483974
Energy: 0.5249483402508948
Energy: 0.5526281274109026
Energy: 0.5470595222788416
Energy: 0.4849602048908399
Energy: 0.5531769727628135
Energy: 0.515514143224183
Energy: 0.5602494942282287
Energy: 0.50439577048339
Energy: 0.5033884153271796
Energy: 0.5080797931723091
Energy: 0.5066064744536307
Energy: 0.5020632311372188
Energy: 0.7632798852127115
Energy: 0.5021673723820085
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Energy: 0.6755534425446008
Energy: 0.5133058358549699
Energy: 0.5042202045149071
Energy: 0.5619636628187001
Energy: 0.5113632339611835
Energy: 0.5055727057373507
Energy: 0.5093486335296727
Energy: 0.5118526475368821
Energy: 0.5047548462562544
Energy: 0.5713112430619928
Energy: 0.486311405575417
Energy: 0.48538688530977636
Energy: 0.5125856126730975
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Energy: 0.5372724818085461
Energy: 0.537267780821602
Energy: 0.553023484713212
Energy: 0.5048298401559321
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Energy: 0.5053075774374709
Energy: 0.5049594420322899
Energy: 0.5092336230100398
Energy: 0.505462143919233
Energy: 0.5053374027212351
Energy: 0.9992381154652712
Energy: 0.5147142911323023
Energy: 0.48785962930533067
Energy: 0.8629748439740902
Energy: 0.5055524582955061
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Energy: 0.5267211816473343
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Energy: 0.5055573579776678
Energy: 0.5061342738687961
Energy: 0.5051482168011556
Energy: 0.4870623009243106
Energy: 0.5084000554033756
Energy: 0.5006965580420362
Energy: 0.5027002022819178
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Energy: 0.5046216072179313
Energy: 0.5016190839278355
Energy: 0.5050514152562335
Energy: 0.5037389809941656
Energy: 0.5031248350627717
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Energy: 0.5052910561953724
Energy: 0.5039655242322213
Energy: 0.5075595628906804
Energy: 0.5042735400036406
Energy: 0.5039850479203463
Energy: 0.5041259746761672
Energy: 0.5046448646956937
Energy: 0.5037427151594779
Energy: 0.8565513603131067
Energy: 0.5135425340258251
Energy: 0.5622846049500535
Energy: 0.5033289607792067
Energy: 0.5069030040009198
Energy: 0.5528264884844575
Energy: 0.5601051294203071
Energy: 0.5032222744432322
Energy: 0.5007636527628934
Energy: 0.5067802953830414
Energy: 0.5043483980759866
Energy: 0.5016825611932704
Energy: 0.5253526328988233
Energy: 0.5500448615417853
Energy: 0.5027401379471099
Energy: 0.4849836835244551
Energy: 0.5556949379601368
Energy: 0.48715198440388147
Energy: 0.5590606932866378
Energy: 0.5038608832097844
Energy: 0.5017311256295074
Energy: 0.5058976014448892
Energy: 0.505214500129617
Energy: 0.5041020611942343
Energy: 0.5621973932111131
Energy: 0.5114400635386219
Energy: 0.5063977957401236
Energy: 0.5084185115197702
Energy: 0.5110937146593468
Energy: 0.5081640073869023
Energy: 0.7630495532949293
Energy: 0.5010637685192809
Energy: 0.5040681345770347
Energy: 0.5054653591312405
Energy: 0.5136782970721321
Energy: 0.5011060792259171
Energy: 0.5608040438039007
Energy: 0.5040029807197727
Energy: 0.5130532141210294
Energy: 0.51111546605056
Energy: 0.4869284481957615
Energy: 0.5148924691741774
Energy: 0.5130845001650585
Energy: 0.48813294646378796
Energy: 0.48647897293846987
Energy: 0.502882762368689
Energy: 0.4884814265721613
Energy: 0.48500787549369556
Energy: 0.6192046344709247
Energy: 0.5130202741110176
Energy: 0.5133992087440093
Energy: 0.5073177081330417
Energy: 0.5124591443981245
Energy: 0.5130921527198312
Energy: 0.5123080082921573
Energy: 0.5032238466885907
Energy: 0.5016146132218771
Energy: 0.5121803452507838
Energy: 0.5010068346456102
Energy: 0.5009607638129228
Energy: 0.508734184262964
Energy: 0.5009450840147659
Energy: 0.503162717120651
Energy: 0.4998559265343616
Energy: 0.5069739549654356
Energy: 0.5046712218368388
Energy: 0.9988784230874422
Energy: 0.505105801260627
Energy: 0.48813240960662657
Energy: 0.4905915509503665
Energy: 0.5062302525965668
Energy: 0.49287916211674887

minimum gb energy = 0.4849602048908399 eV
minimum distance =  2.38819173345014 Angstroms
sigma value = 33


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

Energy: 0.7644407122445961
Energy: 0.5548030394704532
Energy: 0.5626225366636624
Energy: 0.5592695671740047
Energy: 0.5553811040818452
Energy: 0.6124698095447753
Energy: 0.6275103127853116
Energy: 0.5458610599285029
Energy: 0.5473741914293853
Energy: 0.5562550332887751
Energy: 0.5508791777218632
Energy: 0.5487494603805021
Energy: 0.6288498768698375
Energy: 0.6153943211379179
Energy: 0.5467348216065656
Energy: 0.6167344715714352
Energy: 0.5446959358311176
Energy: 0.6168945550523607
Energy: 0.6287626597041999
Energy: 0.5506784564645472
Energy: 0.6287065835117147
Energy: 0.6154160393539624
Energy: 0.5453880528461738
Energy: 0.545029903953139
Energy: 0.6247295497870854
Energy: 0.5900372708950552
Energy: 0.5658889088781505
Energy: 0.6316868986753911
Energy: 0.5851746063115724
Energy: 0.5484059217315719
Energy: 0.6595800185601884
Energy: 0.5928077340012606
Energy: 0.5908303094623724
Energy: 0.6215336185012531
Energy: 0.59021941226825
Energy: 0.5899501431577551
Energy: 0.6680496829126547
Energy: 0.5910098000351641
Energy: 0.5903782164153982
Energy: 0.543573613002551
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Energy: 0.5884587425611381
Energy: 0.6295640689156796
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Energy: 0.5661028316034916
Energy: 0.6813242359767079
Energy: 0.607328391239335
Energy: 0.668828126857356
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Energy: 0.6197918771717299
Energy: 0.631696775250907
Energy: 0.6136982264679448
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Energy: 0.629597083223568
Energy: 0.612365202830686
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Energy: 0.6188845657099089
Energy: 0.5649570505203951
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Energy: 0.5256410522216127
Energy: 0.5418428771417297
Energy: 0.5744150143924208

minimum gb energy = 0.5255161343981399 eV
minimum distance =  2.39503813267201 Angstroms
sigma value = 67


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

Energy: 0.8470514212942627
Energy: 0.5803609513191814
Energy: 0.6117507951169382
Energy: 0.6272921180823043
Energy: 0.6104991964531589
Energy: 0.6088646652913573
Energy: 0.6078128976623128
Energy: 0.5779259289907519
Energy: 0.5777318729092857
Energy: 0.579056754593623
Energy: 0.5799759170501706
Energy: 0.5775414075557896
Energy: 0.5860109802449631
Energy: 0.5482253362569539
Energy: 0.5694217366691621
Energy: 0.5729793727535704
Energy: 0.5537388830557304
Energy: 0.5690342813132137
Energy: 0.5861650925548978
Energy: 0.5718161030562925
Energy: 0.5680325984074234
Energy: 0.570020049178345
Energy: 0.5730134778394071
Energy: 0.5678058163616182
Energy: 0.6053416691614102
Energy: 0.5805464995934234
Energy: 0.5808346114596588
Energy: 0.5900935133969264
Energy: 0.5787091311134949
Energy: 0.5803467398203263
Energy: 0.6066529656860321
Energy: 0.5808817271966873
Energy: 0.5832994549286172
Energy: 0.6059459369205045
Energy: 0.5789449425374597
Energy: 0.5831520513345355
Energy: 0.6233126484345615
Energy: 0.5793962047073998
Energy: 0.5784601029719795
Energy: 0.5472907940228491
Energy: 0.5794010679038631
Energy: 0.5776476208084941

minimum gb energy = 0.5472907940228491 eV
minimum distance =  2.42195860255726 Angstroms
sigma value = 3


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

Energy: 0.8673110807495861
Energy: 0.6896830402520419
Energy: 0.631021056222793
Energy: 0.6828166451555769
Energy: 0.7127445935605902
Energy: 0.6563670331661516
Energy: 0.7342777984834433
Energy: 0.684800513819915
Energy: 0.6729973822345838
Energy: 0.6628707789982372
Energy: 0.6549536438616407
Energy: 0.6507985579064895
Energy: 0.7707919322536482
Energy: 0.6862670305812388
Energy: 0.6840360406685502
Energy: 0.6813449537571495
Energy: 0.6874170833778569
Energy: 0.7325087155268105
Energy: 0.7183980232430456
Energy: 0.664428305702954
Energy: 0.6646104994339955
Energy: 0.6744552476845297
Energy: 0.6807181238818029
Energy: 0.6672367026876097
Energy: 0.6966032037033938
Energy: 0.6394875873927682
Energy: 0.7012616736878179
Energy: 0.6745113656301528
Energy: 0.6996312859065112
Energy: 0.6342383785620459
Energy: 0.6965646559363328
Energy: 0.6995172724617273
Energy: 0.6971116431706307
Energy: 0.7010887218645189
Energy: 0.7003434496414676
Energy: 0.7000554325720919
Energy: 0.710426673019266
Energy: 0.6596231134510548
Energy: 0.6938281263875086
Energy: 0.7038312451459101
Energy: 0.6445879893618439
Energy: 0.7007531631856476
Energy: 0.8417110907667582
Energy: 0.7357911391273201
Energy: 0.7005528473462459
Energy: 0.7151548686902472
Energy: 0.7384649794416603
Energy: 0.7066917367906586
Energy: 0.7139080989810176
Energy: 0.7153764587824117
Energy: 0.7154902242443518
Energy: 0.7023733540565817
Energy: 0.7097133828124691
Energy: 0.7327812013110467
Energy: 0.6942360848601002
Energy: 0.6644164241719857
Energy: 0.6642931399411705
Energy: 0.7536824541104156
Energy: 0.66210147545374
Energy: 0.6886471964109399
Energy: 0.7201754293197966
Energy: 0.6610934202231944
Energy: 0.6795405355328962
Energy: 0.7561340109336576
Energy: 0.662090215595398
Energy: 0.7241511726816917
Energy: 0.7256972290077864
Energy: 0.6978972844223811
Energy: 0.7006679638280279
Energy: 0.7014845755249056
Energy: 0.6956077892936116
Energy: 0.7024819680421025
Energy: 0.6766017992760748
Energy: 0.7012947725519434
Energy: 0.7010499521562189
Energy: 0.661050181640601
Energy: 0.7005648551776972
Energy: 0.6955645247169959
Energy: 0.7360481301398054
Energy: 0.7119694701845956
Energy: 0.7134979679057482
Energy: 0.7050197993941688
Energy: 0.7154642416591246
Energy: 0.7147509281314856
Energy: 0.7455351926206772
Energy: 0.7423223715692511
Energy: 0.7230614534944948
Energy: 0.6755972367365181
Energy: 0.7414351804359105
Energy: 0.7074588813104562
Energy: 0.7253077951291618
Energy: 0.737924645481679
Energy: 0.7312497840034304
Energy: 0.7295109191009369
Energy: 0.7365933428548288
Energy: 0.7308789683806962
Energy: 0.800493880786734
Energy: 0.690911738636953
Energy: 0.6912564765621321
Energy: 0.7142235154339347
Energy: 0.6906943559910949
Energy: 0.6697313329124592
Energy: 0.7445005658904139
Energy: 0.7061490377424847
Energy: 0.7300990862711493
Energy: 0.6968377937807473
Energy: 0.6730311674559639
Energy: 0.7340932729387536
Energy: 0.7564892727246821
Energy: 0.739491882324327
Energy: 0.7259196264064334
Energy: 0.7235100254508198
Energy: 0.7258985111088839
Energy: 0.7294355575693742
Energy: 0.7232072336781621
Energy: 0.7007603593458308
Energy: 0.7103022543494232
Energy: 0.7313052013370687
Energy: 0.69477509326571
Energy: 0.7379520974525094
Energy: 0.7003917480838687
Energy: 0.6994172671811965
Energy: 0.7100965628993469
Energy: 0.6932493078987789
Energy: 0.6951283381737715
Energy: 0.7030980747084831
Energy: 0.701323210619261
Energy: 0.6939302126979708
Energy: 0.6880741621140934
Energy: 0.6932876227903736
Energy: 0.6920762175544939
Energy: 0.6863680262365469
Energy: 0.7125000720635327
Energy: 0.6951055032819836
Energy: 0.7009306495164859
Energy: 0.7126396999314689
Energy: 0.6957779305556283
Energy: 0.6989327863112251
Energy: 0.6964004832889275
Energy: 0.6862302817090438
Energy: 0.6847456891151904
Energy: 0.6967224128681885
Energy: 0.6848268175012544
Energy: 0.7256855032775723
Energy: 0.7034567979138053
Energy: 0.7366237013679632
Energy: 0.7266085306674777
Energy: 0.7404019787014412
Energy: 0.7356344051739816
Energy: 0.7263059417410914
Energy: 0.7527124847486464
Energy: 0.747216180050845
Energy: 0.634243890207889
Energy: 0.6521666527197769
Energy: 0.7598283619629043
Energy: 0.6574314850441839
Energy: 0.6345652403592088
Energy: 0.7458862540763423
Energy: 0.6652290943924599
Energy: 0.6623085920426682
Energy: 0.7398533204557519
Energy: 0.6603895604575659
Energy: 0.704131470753523
Energy: 0.7332840486086655
Energy: 0.7280399691470645
Energy: 0.7272586351982141
Energy: 0.7271209827342776
Energy: 0.7276983001545871
Energy: 0.7207161427579192
Energy: 0.6890443894503878
Energy: 0.6852860576255266
Energy: 0.7205628409049728
Energy: 0.6647409196706338
Energy: 0.7292287957971899
Energy: 0.7262582842087222
Energy: 0.7001801616641609
Energy: 0.7033252831896863
Energy: 0.7276186029648735
Energy: 0.7018557367983981
Energy: 0.7279696855540022
Energy: 0.6941101695096049
Energy: 0.7010102989080331
Energy: 0.7011354867112763
Energy: 0.6927811532999227
Energy: 0.7538648049416893
Energy: 0.70358469582082
Energy: 0.6991670951100012
Energy: 0.7003311958835126
Energy: 0.7008389526774973
Energy: 0.7027776545718842
Energy: 0.6952119736810927
Energy: 0.7006292022204317
Energy: 0.7596629737123127
Energy: 0.7190585155350676
Energy: 0.7299149704964298
Energy: 0.7168859946066644
Energy: 0.698337533012868
Energy: 0.7069688457517695
Energy: 0.7377920007742663
Energy: 0.7246092742123116
Energy: 0.6960000718802072
Energy: 0.7060084772704127
Energy: 0.6922687970849027
Energy: 0.7012060412334967
Energy: 0.6974439789787097
Energy: 0.6871359526003307
Energy: 0.6884750874528843
Energy: 0.7040985442844256
Energy: 0.6891032049486728
Energy: 0.700312120307436
Energy: 0.7329086518536218
Energy: 0.734007405063358
Energy: 0.7335636115790959
Energy: 0.7096268480984456
Energy: 0.6627563751448637
Energy: 0.6889794556784347
Energy: 0.7235167165780887
Energy: 0.7137582728202091
Energy: 0.7132375146848672
Energy: 0.6942707915896198
Energy: 0.7120299213569442
Energy: 0.7147962024821
Energy: 0.6726194194884073
Energy: 0.7020538049802573
Energy: 0.6952448613830057
Energy: 0.6708895501511141
Energy: 0.6960665347752178
Energy: 0.6981852549552129
Energy: 0.723207246655347
Energy: 0.7163291841880212
Energy: 0.7248947179226116
Energy: 0.7008722740731226
Energy: 0.7208136646504804
Energy: 0.7103518795617846
Energy: 0.705806928046152
Energy: 0.7088182425529999
Energy: 0.7097524253079442
Energy: 0.6749438818869072
Energy: 0.7089686902366854
Energy: 0.7044762042890138
Energy: 0.7867163500851252
Energy: 0.7273575277269493
Energy: 0.7341698181508519
Energy: 0.7339938352539371
Energy: 0.7180135586327513
Energy: 0.7357049735661201
Energy: 0.7933458226726954
Energy: 0.6706279508550714
Energy: 0.6721360948596871
Energy: 0.7205408022873626
Energy: 0.6893712378758261
Energy: 0.7547843597976952
Energy: 0.7980061263298449
Energy: 0.7078181444588919
Energy: 0.6679119173902285
Energy: 0.7570121914454109
Energy: 0.687352548170896
Energy: 0.7036510376768271
Energy: 0.7134657149467671
Energy: 0.7244187149882164
Energy: 0.7294290806157193
Energy: 0.6991294495441589
Energy: 0.7361609662147072
Energy: 0.731480391856567
Energy: 0.9917173618648327
Energy: 0.6832284710460318
Energy: 0.7286333379302292
Energy: 0.7307741099959678
Energy: 0.6487683371378568
Energy: 0.7298425213354918
Energy: 0.7124079338660553
Energy: 0.6435672226594227
Energy: 0.6943607447813863
Energy: 0.6876672248702403
Energy: 0.6406482268833299
Energy: 0.692529688997598
Energy: 0.6993097315240034
Energy: 0.6864444663796412
Energy: 0.6844151661476062
Energy: 0.6873454944321833
Energy: 0.6888985593873695
Energy: 0.6919635943329727
Energy: 0.6987171913318972
Energy: 0.618697935799705
Energy: 0.6862006345379749
Energy: 0.6650748264172819
Energy: 0.6192034543060942
Energy: 0.6263162708074966
Energy: 0.7015240855737555
Energy: 0.7201376680751276
Energy: 0.6670306068478759
Energy: 0.642200411600918
Energy: 0.7114895038575114
Energy: 0.673173010382659
Energy: 0.7183912966741759
Energy: 0.7196170600668007
Energy: 0.7201926853729855
Energy: 0.6740382095616344
Energy: 0.7090082730748323
Energy: 0.6569066928345578
Energy: 0.6905496676999174
Energy: 0.6777879461907123
Energy: 0.676671137243765
Energy: 0.6515756900423151
Energy: 0.6660131217898421
Energy: 0.6767344892755088

minimum gb energy = 0.618697935799705 eV
minimum distance =  2.37114491577812 Angstroms
sigma value = 81


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

Energy: 1.3875265932244079
Energy: 0.6785489950915385
Energy: 0.6350996222136095
Energy: 0.6316669789833425
Energy: 0.6785727085425282
Energy: 0.6668839530685621
Energy: 0.7399605500839135
Energy: 0.6602573697496378
Energy: 0.6518678455243834
Energy: 0.6349126103188303
Energy: 0.6559667983370064
Energy: 0.6407429044188877
Energy: 0.7454903233023374
Energy: 0.6644008227291965
Energy: 0.6651211913440759
Energy: 0.6584941244929969
Energy: 0.6684960465899756
Energy: 0.6602971933031608
Energy: 0.7444370073084189
Energy: 0.6665124324655112
Energy: 0.6591686684777041
Energy: 0.6457878118270498
Energy: 0.6682306848994382
Energy: 0.658583693331181
Energy: 0.7308600966573132
Energy: 0.6210221256505845
Energy: 0.7141438595453099
Energy: 0.6454823960704413
Energy: 0.6478917167520211
Energy: 0.641743499484482
Energy: 0.7326191970425007
Energy: 0.7141822320849337
Energy: 0.7110827912976306
Energy: 0.720924245585432
Energy: 0.6592932272192203
Energy: 0.7153042738700082
Energy: 0.7295616224713259
Energy: 0.7118588570501903
Energy: 0.6451276642182271
Energy: 0.7611231385734878
Energy: 0.641269131120483
Energy: 0.7245636770252212
Energy: 0.8114472345862205
Energy: 0.7700647514180518
Energy: 0.7703331276300558
Energy: 0.6708863521404355
Energy: 0.7838583756734937
Energy: 0.6645248587718494
Energy: 0.7403097404639433
Energy: 0.7125469035720702
Energy: 0.7106966972698182
Energy: 0.778652988741652
Energy: 0.7111132452136171
Energy: 0.7313261775928787
Energy: 0.7410358757702754
Energy: 0.6560033154287528
Energy: 0.6561336942253921
Energy: 0.8077456360455938
Energy: 0.6567537420459859
Energy: 0.6533307463349554
Energy: 0.7388934351242129
Energy: 0.6527193347580265
Energy: 0.6466666252179017
Energy: 0.7478801015928023
Energy: 0.6555647151497126
Energy: 0.7287816432471551
Energy: 0.6877086457782488
Energy: 0.7072403639795979
Energy: 0.7082296914553318
Energy: 0.652940920162035
Energy: 0.7061171745696606
Energy: 0.7079494884638511
Energy: 0.6869696046940753
Energy: 0.7313406418967867
Energy: 0.7231891568298309
Energy: 0.6689419650622049
Energy: 0.7377339763903951
Energy: 0.6666260828867294
Energy: 0.7067833081503414
Energy: 0.7357482613950606
Energy: 0.7352817731785567
Energy: 0.7236064795210464
Energy: 0.7353183395897249
Energy: 0.7322938415057082
Energy: 0.8489227009896334
Energy: 0.7398024821693887
Energy: 0.738916292361394
Energy: 0.7336379802192076
Energy: 0.7400190330625841
Energy: 0.7390444630138578
Energy: 0.7507524274080416
Energy: 0.7552212770145429
Energy: 0.7759439076857815
Energy: 0.6862406096469149
Energy: 0.7539567452620365
Energy: 0.683751410648712
Energy: 0.8341324534287885
Energy: 0.6735771082323271
Energy: 0.672347983122709
Energy: 0.8188814937668585
Energy: 0.6707960367824297
Energy: 0.660561031877679
Energy: 0.6736747061120779
Energy: 0.7238446207991672
Energy: 0.6810970283771995
Energy: 0.6737744704123033
Energy: 0.749994421424762
Energy: 0.6669163176205571
Energy: 0.7941121724015903
Energy: 0.6965813694990398
Energy: 0.6996448596601186
Energy: 0.733266484124421
Energy: 0.6930697691718086
Energy: 0.6793761039391154
Energy: 0.7942438085890613
Energy: 0.6958597849080987
Energy: 0.6970352931044489
Energy: 0.6802570669228056
Energy: 0.6944554106016975
Energy: 0.6799672392963607
Energy: 0.6729304644989951
Energy: 0.6721865960457586
Energy: 0.6691556076655222
Energy: 0.674561411635167
Energy: 0.68949525927616
Energy: 0.6674208750830997
Energy: 0.7410285871977615
Energy: 0.6642353471836013
Energy: 0.6629923844099909
Energy: 0.7215047164876646
Energy: 0.66529188416284
Energy: 0.6633540286211932
Energy: 0.743655851731106
Energy: 0.7037139048293092
Energy: 0.6698371709571799
Energy: 0.6819889384004442
Energy: 0.7065731185739008
Energy: 0.6713926293516967
Energy: 0.7444757048496579
Energy: 0.742425358725141
Energy: 0.7422961254979069
Energy: 0.7285396194163225
Energy: 0.7504246515047577
Energy: 0.7375748099567796
Energy: 0.6868431768418228
Energy: 0.7368090352389252
Energy: 0.7242878395978546
Energy: 0.761212498531856
Energy: 0.734439759736104
Energy: 0.7232951222595413
Energy: 0.7644705382028057
Energy: 0.7836870406803425
Energy: 0.7727357479047232
Energy: 0.6723425050758354
Energy: 0.7845550889726459
Energy: 0.7744052199902636
Energy: 0.7642737456647786
Energy: 0.764608366304641
Energy: 0.7657324085685824
Energy: 0.6753187335039452
Energy: 0.7743873875799362
Energy: 0.7671987265282503
Energy: 0.7405245742079719
Energy: 0.664036636321582
Energy: 0.7710001883608399
Energy: 0.7958090910393155
Energy: 0.6545100315198233
Energy: 0.7305241882592969
Energy: 0.7445530971441471
Energy: 0.6549584715592268
Energy: 0.6547768797632628
Energy: 0.739744176861879
Energy: 0.654063409881205
Energy: 0.6535937255223414
Energy: 0.7396358096860141
Energy: 0.7108136173693708
Energy: 0.7080517722027905
Energy: 0.7182522301438365
Energy: 0.7084390969782051
Energy: 0.7117098144195689
Energy: 0.6891503541328068
Energy: 0.7404664459217457
Energy: 0.7086206174007537
Energy: 0.6708451613989044
Energy: 0.7491879483534657
Energy: 0.6663493559145189
Energy: 0.7384997949585824
Energy: 0.719297938581061
Energy: 0.6377344395612258
Energy: 0.6507669983532047
Energy: 0.6480165732413745
Energy: 0.703453657614775
Energy: 0.7924821982208865
Energy: 0.7085503319634542
Energy: 0.7080333698311236
Energy: 0.7182624170028364
Energy: 0.651524346086295
Energy: 0.7104113493528261
Energy: 0.7370543702984921
Energy: 0.6591589267008646
Energy: 0.7163756735645959
Energy: 0.6577406646120209
Energy: 0.7138657103734495
Energy: 0.650600380150174
Energy: 0.78619207194568
Energy: 0.7198832777028366
Energy: 0.7510864838778076
Energy: 0.6475096550903019
Energy: 0.7286343294967843
Energy: 0.6465997257233388
Energy: 0.7956393992427715
Energy: 0.6732390317155663
Energy: 0.6730960345019394
Energy: 0.690259990398512
Energy: 0.6736747255958992
Energy: 0.7168617382190289
Energy: 0.7406715747780332
Energy: 0.6577745572561784
Energy: 0.6572594018086002
Energy: 0.634984012249464
Energy: 0.6622476394877326
Energy: 0.6313433897275519
Energy: 0.7796280871575669
Energy: 0.6099914081650571
Energy: 0.624248812986487
Energy: 0.6256740087716404
Energy: 0.6198817691286492
Energy: 0.6675902158706885

minimum gb energy = 0.6099914081650571 eV
minimum distance =  2.35092576890252 Angstroms
sigma value = 43


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

Energy: 0.8898481123483934
Energy: 0.7325562589043026
Energy: 0.6210390794716745
Energy: 0.6230544401036124
Energy: 0.6688088185711598
Energy: 0.6233423916026846
Energy: 0.5983716014930992
Energy: 0.606483893323561
Energy: 0.6108020251188374
Energy: 0.6556626029170922
Energy: 0.6068726547363733
Energy: 0.6518094895139099
Energy: 0.6061047095860247
Energy: 0.6513082493510944
Energy: 0.6602213837619902
Energy: 0.6102869931064802
Energy: 0.6509551913776745
Energy: 0.5988934990878629
Energy: 0.5979543331595302
Energy: 0.5967897042919748
Energy: 0.5992007901010129
Energy: 0.5983578422208614
Energy: 0.594069181315568
Energy: 0.5949533371114942
Energy: 0.6022406040618825
Energy: 0.5894737242209469
Energy: 0.5901769213026492
Energy: 0.599168456415636
Energy: 0.5935404564897935
Energy: 0.5896809417970786
Energy: 0.6029900435962836
Energy: 0.5902527286322198
Energy: 0.5889939731393261
Energy: 0.5896070821484943
Energy: 0.5922344445841854
Energy: 0.589184481960127
Energy: 0.5988133379128412
Energy: 0.6003075409321
Energy: 0.5980421989399979
Energy: 0.5920134465419516
Energy: 0.6022048572057737
Energy: 0.5912283519105198
Energy: 0.6740619419791619
Energy: 0.6051705093054045
Energy: 0.6055142350155975
Energy: 0.6470312574584539
Energy: 0.6094594751992374
Energy: 0.5996824768613154
Energy: 0.601061808984972
Energy: 0.6670720161226223
Energy: 0.6683265618841285
Energy: 0.6006788116582749
Energy: 0.6671260117217667
Energy: 0.6003391403044074
Energy: 0.7204914522353051
Energy: 0.6126860213300142
Energy: 0.6125579927146166
Energy: 0.655358777945302
Energy: 0.6044586820959185
Energy: 0.6117564918368066
Energy: 0.6431827408680711
Energy: 0.6340106189672275
Energy: 0.6224003737748255
Energy: 0.604549848999834
Energy: 0.6155571225811329
Energy: 0.6037008758781335
Energy: 0.61500124092122
Energy: 0.5969294275266341
Energy: 0.6693942819071864
Energy: 0.5987768081958743
Energy: 0.5982717830334634
Energy: 0.6680651052249996
Energy: 0.6942968850986618
Energy: 0.6040286962705503
Energy: 0.609954142478305
Energy: 0.6006956138876197
Energy: 0.6016230080102449
Energy: 0.6106621784988379
Energy: 0.6429786303344014
Energy: 0.6063763532144851
Energy: 0.6071931132539969
Energy: 0.6041702467122906
Energy: 0.5948230782264128
Energy: 0.6110435893121386
Energy: 0.6389634138669898
Energy: 0.6126196422777999
Energy: 0.6136094391268184
Energy: 0.6411658629135996
Energy: 0.5975449804874501
Energy: 0.6147502093310431
Energy: 0.6421486767260297
Energy: 0.5911161258598482
Energy: 0.6094159894975892
Energy: 0.6421920889482873
Energy: 0.5939325156788279
Energy: 0.6090631602247145
Energy: 0.6395375223059651
Energy: 0.6335014883365371
Energy: 0.6323970275168899
Energy: 0.6399149288360878
Energy: 0.6197211767582561
Energy: 0.6334445987605888
Energy: 0.6400286447606851
Energy: 0.6272788383822665
Energy: 0.6251119808631841
Energy: 0.626329264763398
Energy: 0.6601313277531541
Energy: 0.6373267456348053
Energy: 0.6116068647381481
Energy: 0.642508319075291
Energy: 0.6461503025009964
Energy: 0.6127312664577965
Energy: 0.6426360409566356
Energy: 0.59954795926474
Energy: 0.732902501315482
Energy: 0.6435903619597171
Energy: 0.6483556659206695
Energy: 0.6131406374016523
Energy: 0.6433840880190135
Energy: 0.6066408365129929
Energy: 0.6402874778347342
Energy: 0.644222491063869
Energy: 0.6438095960819669
Energy: 0.6266530736878718
Energy: 0.6119368361283575
Energy: 0.6468010562107691
Energy: 0.6652869313293931
Energy: 0.6213426926789646
Energy: 0.6210767829125962
Energy: 0.6651678401666266
Energy: 0.6168641256710774
Energy: 0.715348524504913
Energy: 0.6968383105197371
Energy: 0.6259662107639594
Energy: 0.6255166532745384
Energy: 0.6394403329834664
Energy: 0.624014251518827
Energy: 0.642366184988093
Energy: 0.6554682941265799
Energy: 0.6484326045576643
Energy: 0.647726701721892
Energy: 0.6151005360414182
Energy: 0.6546695650425035
Energy: 0.6476418816682015
Energy: 0.6201073210141711
Energy: 0.6398721969789761
Energy: 0.6448969959053681
Energy: 0.6410579249270199
Energy: 0.6430697104019594
Energy: 0.6478301358402824
Energy: 0.6249213253896927
Energy: 0.6098526570043462
Energy: 0.6151217139527322
Energy: 0.6147317851531456
Energy: 0.6408056348333567
Energy: 0.6177286833322283
Energy: 0.6328796376495606
Energy: 0.6046004400961207
Energy: 0.6149396750645809
Energy: 0.6098046267889511
Energy: 0.6118387571773687
Energy: 0.6159883451344154
Energy: 0.6251117923355872
Energy: 0.606728885006283
Energy: 0.6063202295807407
Energy: 0.6006893672314763
Energy: 0.6073216366188485
Energy: 0.6016991637805584
Energy: 0.6025788832945473
Energy: 0.6679976173346888
Energy: 0.6021117855814295
Energy: 0.6026907503520658
Energy: 0.6476611025583111
Energy: 0.6039042556453541
Energy: 0.5998107485987518
Energy: 0.6076325142214755
Energy: 0.608521170006324
Energy: 0.6553197025721564
Energy: 0.6053558303579217
Energy: 0.6008814010494714
Energy: 0.6046015771090386
Energy: 0.630117769819803
Energy: 0.6243815700368309
Energy: 0.6191395493896638
Energy: 0.6387008295909368
Energy: 0.626025869323314

minimum gb energy = 0.5889939731393261 eV
minimum distance =  2.36564820014696 Angstroms
sigma value = 57


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

Energy: 0.7788890269971923
Energy: 0.6797892231612903
Energy: 0.6273264106878255
Energy: 0.6032920542303158
Energy: 0.6796918212311565
Energy: 0.752666172130084
Energy: 0.6422963891231307
Energy: 0.5900696267424187
Energy: 0.590954492963846
Energy: 0.645846475400971
Energy: 0.6514161950325376
Energy: 0.5991522160661052
Energy: 0.6085101584381992
Energy: 0.5904184868482322
Energy: 0.590234872238228
Energy: 0.6257431937630233
Energy: 0.5895762892622187
Energy: 0.5873894276383496
Energy: 0.641967598382449
Energy: 0.5873005481597702
Energy: 0.586835516412358
Energy: 0.6416119898232996
Energy: 0.5858011398415134
Energy: 0.595734318064862
Energy: 0.5927923388621423
Energy: 0.5835711066171376
Energy: 0.5808725911296282
Energy: 0.5917897121456508
Energy: 0.5794663288063745
Energy: 0.5865784996002095
Energy: 0.5924545912172856
Energy: 0.5799290372255097
Energy: 0.5822447879021256
Energy: 0.5814648554614049
Energy: 0.5801994372203217
Energy: 0.5853185567246662
Energy: 0.6607531142415635
Energy: 0.6187031642784144
Energy: 0.6142325384846781
Energy: 0.5947055827286291
Energy: 0.6429769525244571
Energy: 0.5914010160071198
Energy: 0.6476178469790828
Energy: 0.6584926376109681
Energy: 0.5924498612886867
Energy: 0.5991213573878728
Energy: 0.6198763445652683
Energy: 0.6006854149453775
Energy: 0.6594786543165356
Energy: 0.6425452028751159
Energy: 0.5956159170681466
Energy: 0.6602548588834682
Energy: 0.6430690969073243
Energy: 0.594811745356789
Energy: 0.6817345619800762
Energy: 0.6025070976482838
Energy: 0.6020836365201143
Energy: 0.62602309885737
Energy: 0.6009153070784137
Energy: 0.6258200953392777
Energy: 0.5940141064971818
Energy: 0.5931798166429891
Energy: 0.5928488218159056
Energy: 0.6611742027435363
Energy: 0.6100428634521495
Energy: 0.5924928531663205
Energy: 0.5817751624170668
Energy: 0.6305893736204092
Energy: 0.6307675069362821
Energy: 0.5927338017678699
Energy: 0.6429043055218366
Energy: 0.5810648993765501
Energy: 0.5851656664680878
Energy: 0.6257799947708851
Energy: 0.6146135873304355
Energy: 0.5805519852365854
Energy: 0.6338761914748926
Energy: 0.613078517933989
Energy: 0.6411225633286427
Energy: 0.6023292559920592
Energy: 0.5980760769297317
Energy: 0.6442028371086662
Energy: 0.6146302528664129
Energy: 0.5941305698491779
Energy: 0.5927613461110891
Energy: 0.5994081899941622
Energy: 0.6125472154238254
Energy: 0.6336299430254841
Energy: 0.5811820771064642
Energy: 0.6113871785932302
Energy: 0.6434054219371957
Energy: 0.5923144111634858
Energy: 0.6106061940637345
Energy: 0.6439296914374598
Energy: 0.5939169142589081
Energy: 0.6109279431001283
Energy: 0.5927268740329836
Energy: 0.5845562149673287
Energy: 0.5797000136025766
Energy: 0.5952677628223514
Energy: 0.5814715163890882
Energy: 0.5824287670129169
Energy: 0.5927284066157489
Energy: 0.5949063097871796
Energy: 0.5879458349089679
Energy: 0.5858760532816681
Energy: 0.5928358911771783
Energy: 0.5823924788709125
Energy: 0.6626486140321106
Energy: 0.6442039330437952
Energy: 0.5885508625925759
Energy: 0.6003928415738234
Energy: 0.6425176070901837
Energy: 0.5873790082508238
Energy: 0.6630614214849994
Energy: 0.6277534541660412
Energy: 0.6283983360729148
Energy: 0.6007283008562784
Energy: 0.6303538911319767
Energy: 0.5878159386612015
Energy: 0.6599987920423986
Energy: 0.6466547368831922
Energy: 0.6015953520229184
Energy: 0.6599418213170328
Energy: 0.6472222821199495
Energy: 0.5916650497069831
Energy: 0.730014806746946
Energy: 0.6232348492760588
Energy: 0.5954987757498253
Energy: 0.6770964153296122
Energy: 0.602221359600581
Energy: 0.5985058153346191
Energy: 0.5946434171553052
Energy: 0.6451294696457649
Energy: 0.5855396152017917
Energy: 0.660096248037702
Energy: 0.652577454382766
Energy: 0.6001884997650606
Energy: 0.5847680135514931
Energy: 0.6260754956915857
Energy: 0.6144916591154489
Energy: 0.5801035998567485
Energy: 0.6341677117029674
Energy: 0.6123698854504788

minimum gb energy = 0.5794663288063745 eV
minimum distance =  2.3674394934327 Angstroms
sigma value = 17


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

Energy: 0.5980764133895732
Energy: 0.6813608285820174
Energy: 0.7451199753924884
Energy: 0.589772524239453
Energy: 0.6600302508838782
Energy: 0.590141368145686
Energy: 0.6367417410414983
Energy: 0.6595689719657848
Energy: 0.575404770185542
Energy: 0.6817354616727295
Energy: 0.6601583026368891
Energy: 0.5780009787326259
Energy: 0.6493907119555001
Energy: 0.5508422474369479
Energy: 0.5510749475905375
Energy: 0.6444459733468255
Energy: 0.551349190779483
Energy: 0.5543050743237998
Energy: 0.6665388234719224
Energy: 0.5513226624731683
Energy: 0.5546419265955679
Energy: 0.6666741014273065
Energy: 0.5572548726791497
Energy: 0.6097689782524128
Energy: 0.614074014040087
Energy: 0.5393454649933935
Energy: 0.5403541198259538
Energy: 0.6153694347514962
Energy: 0.5369942248104513
Energy: 0.5403932218513734
Energy: 0.5892720586523649
Energy: 0.541138472665038
Energy: 0.5428752886793481
Energy: 0.5290660567398245
Energy: 0.6098362381791219
Energy: 0.5275108937898787
Energy: 0.6105169908285619
Energy: 0.6092013935509385
Energy: 0.5705653812409494
Energy: 0.5821835969021391
Energy: 0.6103951152037733
Energy: 0.522633029815759
Energy: 0.5771744040138366
Energy: 0.5235916113491719
Energy: 0.5237125005706713
Energy: 0.5240049158767301
Energy: 0.5238164799400873
Energy: 0.5233432839027041
Energy: 0.6096475237331233
Energy: 0.5230618074582501
Energy: 0.5235453788216559
Energy: 0.6108683804268616
Energy: 0.5233899375641449
Energy: 0.5220670091479027
Energy: 0.5462396912854058
Energy: 0.5434432529717522
Energy: 0.5427955374013727
Energy: 0.607193005790207
Energy: 0.5430411276346989
Energy: 0.5429787148710967
Energy: 0.5465876615056802
Energy: 0.5381946495606414
Energy: 0.5419239874036019
Energy: 0.5362544132929002
Energy: 0.691165469299503
Energy: 0.5414095687532993
Energy: 0.6149253514933862
Energy: 0.6689765542938343
Energy: 0.6678322749138164
Energy: 0.5355489635416225
Energy: 0.6691225412659726
Energy: 0.6103768682009975
Energy: 0.5952527695179605
Energy: 0.6441027148128255
Energy: 0.640320532163326
Energy: 0.5428668522446559
Energy: 0.6444056711215994
Energy: 0.6390321169297684
Energy: 0.6680505383924275
Energy: 0.6596950381906349
Energy: 0.563351715289674
Energy: 0.6784014305293246
Energy: 0.6734058254156172
Energy: 0.56490036231383
Energy: 0.6277915387218462
Energy: 0.6424394478421531
Energy: 0.6565355492763462
Energy: 0.6684763754956584
Energy: 0.6353783999630468
Energy: 0.6511782017909685
Energy: 0.6363373886729132
Energy: 0.6730045972354505
Energy: 0.5748347777158863
Energy: 0.6635691386361845
Energy: 0.6758805653308056
Energy: 0.6432432140612129
Energy: 0.5932755206011603
Energy: 0.6407515604982246
Energy: 0.6946051935049745
Energy: 0.595088099054961
Energy: 0.6442952232638324
Energy: 0.7297292675049529

minimum gb energy = 0.5220670091479027 eV
minimum distance =  2.34064413614543 Angstroms
sigma value = 17


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

Energy: 0.5617771505344914
Energy: 0.6311765440095667
Energy: 0.5711237947188822
Energy: 0.534761403086374
Energy: 0.7881644311221869
Energy: 0.5714715514624262
Energy: 0.7301679206837667
Energy: 0.5878551957636188
Energy: 0.5065326753937616
Energy: 0.6314160856018889
Energy: 0.6317775275113352
Energy: 0.5280480717894674
Energy: 0.7992474715984262
Energy: 0.4892019317495907
Energy: 0.5236220075362478
Energy: 0.6353201529017739
Energy: 0.48927013994818597
Energy: 0.5239208001447113
Energy: 0.6705367527181368
Energy: 0.5241578727243015
Energy: 0.5244766602821551
Energy: 0.6717322115787157
Energy: 0.48800272718512466
Energy: 0.5708502149431598
Energy: 0.5918464454833526
Energy: 0.5123568284572423
Energy: 0.5059593653413814
Energy: 0.5936074092315671
Energy: 0.5127281349096701
Energy: 0.5082478291880409
Energy: 0.573599631557559
Energy: 0.5029964621070089
Energy: 0.4836898612731852
Energy: 0.4857760537719993
Energy: 0.5845185207107112
Energy: 0.4844318832793185
Energy: 0.5512355001834228
Energy: 0.5898184553024937
Energy: 0.5850751481427339
Energy: 0.48278480013411107
Energy: 0.5867909064435535
Energy: 0.48146639932155416
Energy: 0.5580337018431304
Energy: 0.47341958238647025
Energy: 0.4778321625983237
Energy: 0.48222844452937247
Energy: 0.47787490270291305
Energy: 0.47825940355813434
Energy: 0.553263407864251
Energy: 0.481508006226766
Energy: 0.48303920761172386
Energy: 0.5526620444886675
Energy: 0.48233809254399357
Energy: 0.550965791608652
Energy: 0.5513880342627919
Energy: 0.48027629081125683
Energy: 0.4803671253770638
Energy: 0.5511743544911295
Energy: 0.4803658772438248
Energy: 0.4801885253494288
Energy: 0.561487966614967
Energy: 0.47788411597457053
Energy: 0.47877394684169
Energy: 0.47957403359125444
Energy: 0.5511633009919474
Energy: 0.4792155410962611
Energy: 0.5534566048116368
Energy: 0.5582097738056657
Energy: 0.5518019180921118
Energy: 0.5624045168636241
Energy: 0.5551497071367841
Energy: 0.4841036791327101
Energy: 0.5631757867232002
Energy: 0.4779651889701224
Energy: 0.4777136572203102
Energy: 0.47920828156756234
Energy: 0.49394267898587846
Energy: 0.4779855526115706
Energy: 0.5837831136937769
Energy: 0.4811966613044274
Energy: 0.4810271476276037
Energy: 0.5848267286368475
Energy: 0.48388997563568126
Energy: 0.5842184238664603
Energy: 0.5838092780034219
Energy: 0.4889396510958779
Energy: 0.49067256789277025
Energy: 0.585114822984214
Energy: 0.4813035935402165
Energy: 0.5034192919467011
Energy: 0.6763578773130886
Energy: 0.5160615747466911
Energy: 0.5058148835635459
Energy: 0.5193073410346812
Energy: 0.5643348801142004
Energy: 0.5059832006595961
Energy: 0.5528039345437445
Energy: 0.6688334679561118
Energy: 0.6332105314315615
Energy: 0.5223458087493389
Energy: 0.6744319925931948
Energy: 0.5061165422357077
Energy: 0.5529407884553005
Energy: 0.5996297704400244
Energy: 0.5727673133205493
Energy: 0.5263344035840896
Energy: 0.6350792214495852
Energy: 0.5057941227389643
Energy: 0.7439843196330488
Energy: 0.5860205484535234
Energy: 0.5294795433959278
Energy: 0.6316453028024503
Energy: 0.5642099875414287
Energy: 0.5066166945108806
Energy: 0.8019846461468182
Energy: 0.5261125768776774
Energy: 0.5254423355533644
Energy: 0.576855334692872
Energy: 0.5275073606482044
Energy: 0.5878568934180756
Energy: 0.7332261812740288
Energy: 0.5727009966513467
Energy: 0.5276582626887294
Energy: 0.5904367005734759
Energy: 0.5711880092531828
Energy: 0.5072908160736799
Energy: 0.5591048266185404
Energy: 0.5985850653978987
Energy: 0.6952954261631249
Energy: 0.5250925627894093
Energy: 0.6362787966226294
Energy: 0.5339967057639187
Energy: 0.5614512741276184
Energy: 0.6295250205241582
Energy: 0.6310537300769128
Energy: 0.4954563691846776
Energy: 0.6343961478199763
Energy: 0.5634519874303526
Energy: 0.7965476339231122
Energy: 0.5195247741832912
Energy: 0.499889326528918
Energy: 0.6719645383194389
Energy: 0.48433735494780916
Energy: 0.5773969890558731
Energy: 0.6794476061153407
Energy: 0.4912909970548211
Energy: 0.5232029970189989
Energy: 0.6683551513019569
Energy: 0.4907037293514085
Energy: 0.5227883975385945
Energy: 0.5971061678762615
Energy: 0.5034958003168732
Energy: 0.5045623133729011
Energy: 0.5673780783741169
Energy: 0.5098531091489383
Energy: 0.5035810023439479
Energy: 0.5437278704286412
Energy: 0.5138859232925584
Energy: 0.5048935712606761
Energy: 0.4857919452115875
Energy: 0.5136728036061037
Energy: 0.487165706882779
Energy: 0.5493949639127758
Energy: 0.5895575186383478
Energy: 0.5837847774704582
Energy: 0.5503975124893528
Energy: 0.5861078245422349
Energy: 0.583685179280729
Energy: 0.5553231308115558
Energy: 0.4834998471423739
Energy: 0.4839064963986004
Energy: 0.48371667375695315
Energy: 0.5846123563324714
Energy: 0.4846348723224678
Energy: 0.56010491987861
Energy: 0.47771248563358476
Energy: 0.47896141971927736
Energy: 0.5506161562419636
Energy: 0.4773615824405983
Energy: 0.47768778111050003
Energy: 0.5553196732834631
Energy: 0.4767098110470056
Energy: 0.47700744470393636
Energy: 0.5559990716608925
Energy: 0.47544274810345954
Energy: 0.4778253981243534
Energy: 0.5455114522750532
Energy: 0.4772284773458621
Energy: 0.4771358614337711
Energy: 0.5292568728782614
Energy: 0.4767842406654617
Energy: 0.47889934337917395
Energy: 0.5588427417935445
Energy: 0.5561084041386588
Energy: 0.5513002162881703
Energy: 0.531838486193487
Energy: 0.5520572247100949
Energy: 0.5513125515228057
Energy: 0.5504089972665098
Energy: 0.4868101059101676
Energy: 0.4819304330523367
Energy: 0.4805181818050742
Energy: 0.48499995437268156
Energy: 0.48215929483984554
Energy: 0.590122753574561
Energy: 0.4815118236493441
Energy: 0.4811969935475567
Energy: 0.5914152721762241
Energy: 0.4800868395369598
Energy: 0.4821987870808004
Energy: 0.5903765000370553
Energy: 0.48269657375966474
Energy: 0.5016055600898901
Energy: 0.5912071116382788
Energy: 0.48215536437562745
Energy: 0.5025494020325347
Energy: 0.7609100901496985
Energy: 0.501376009883624
Energy: 0.5011205561492851
Energy: 0.5037065408882365
Energy: 0.5302243782327843
Energy: 0.5005018504212728
Energy: 0.556996741618887
Energy: 0.6733637049074923
Energy: 0.5532212226498284
Energy: 0.533774112674436
Energy: 0.670127288374887
Energy: 0.5532196470759501
Energy: 0.5513653784490516
Energy: 0.6007622192264194
Energy: 0.5242849899195436
Energy: 0.5073939255784057
Energy: 0.5998947970930473
Energy: 0.5247825405232839
Energy: 0.5841316934150133
Energy: 0.5729902186542963
Energy: 0.5736049041155779
Energy: 0.5226302772138837
Energy: 0.5717682462118758
Energy: 0.5296117317972466
Energy: 0.7482122635292391
Energy: 0.515099028432994
Energy: 0.5899571703508768
Energy: 0.6362076380290163
Energy: 0.5147219147756388
Energy: 0.605324825190802
Energy: 0.7957942384425313
Energy: 0.5763357474170289
Energy: 0.5072891966878649
Energy: 0.5948551434985501
Energy: 0.535327273618166
Energy: 0.5718025677292885
Energy: 0.5627154077192412
Energy: 0.5738428375501872
Energy: 0.5773749903541573
Energy: 0.49539533632076177
Energy: 0.5946176264487614
Energy: 0.5531808706360838

minimum gb energy = 0.47341958238647025 eV
minimum distance =  2.39947587936309 Angstroms
sigma value = 57


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

Energy: 0.5101198788398696
Energy: 0.6838714080721443
Energy: 0.5298204987406483
Energy: 0.4634317398234809
Energy: 0.7610012814137337
Energy: 0.5306861738729591
Energy: 0.6495171008389875
Energy: 0.47517906151342637
Energy: 0.47404880523588666
Energy: 0.5480319864376304
Energy: 0.47479851997142863
Energy: 0.49796710217920037
Energy: 0.7512584315815817
Energy: 0.45652347392776965
Energy: 0.45681023963305173
Energy: 0.551350685814771
Energy: 0.45634548380138207
Energy: 0.4884030805288612
Energy: 0.6409819309217083
Energy: 0.45624622254442126
Energy: 0.4843022903138894
Energy: 0.5289359926405567
Energy: 0.46464948599859673
Energy: 0.4925393938497489
Energy: 0.5568398118139829
Energy: 0.479766660457944
Energy: 0.4749016724642421
Energy: 0.557930986487868
Energy: 0.47946204580419033
Energy: 0.476034868372325
Energy: 0.49958695933770775
Energy: 0.46992560675944045
Energy: 0.45369245460125845
Energy: 0.4463003674643874
Energy: 0.5736884762693245
Energy: 0.4546804833591944
Energy: 0.5367602833667359
Energy: 0.5670277185981709
Energy: 0.5711124206778763
Energy: 0.44798315116402776
Energy: 0.5659420351557182
Energy: 0.44750567847065487
Energy: 0.6837263580316141
Energy: 0.4399239738025157
Energy: 0.43840136704575405
Energy: 0.4581922373145617
Energy: 0.4400122407017348
Energy: 0.4459579379919544
Energy: 0.5238706538352539
Energy: 0.4497947300273781
Energy: 0.4559229288808057
Energy: 0.5252767751351959
Energy: 0.5273365587779331
Energy: 0.5214091996208772
Energy: 0.5334910445837006
Energy: 0.43815767480041407
Energy: 0.437845203758947
Energy: 0.5343836833785228
Energy: 0.4375209589558982
Energy: 0.43790950754577307
Energy: 0.5081186771670436
Energy: 0.4802826421000198
Energy: 0.43527719894130307
Energy: 0.43577549282755473
Energy: 0.5147193826884547
Energy: 0.43485043960316094
Energy: 0.524862084558066
Energy: 0.5098344338369841
Energy: 0.5147838642565628
Energy: 0.4829481942692912
Energy: 0.5098074143494117
Energy: 0.4404009095757151
Energy: 0.5037766459818764
Energy: 0.507387915317322
Energy: 0.44402337381588813
Energy: 0.4413969180792429
Energy: 0.5119196720004021
Energy: 0.4436954360636187
Energy: 0.5042474091066664
Energy: 0.4382422161921675
Energy: 0.43810240018653984
Energy: 0.5055184144149899
Energy: 0.48448061619895044
Energy: 0.5141925424020977
Energy: 0.5031113417725546
Energy: 0.4363855207813719
Energy: 0.4347219097132337
Energy: 0.5038240106063511
Energy: 0.4360172041669456
Energy: 0.4339945330095816
Energy: 0.5329390833926541
Energy: 0.5325365349456751
Energy: 0.44073564819406524
Energy: 0.44293944419061965
Energy: 0.529574452792741
Energy: 0.4421132934727859
Energy: 0.5054889059051717
Energy: 0.5301054373013973
Energy: 0.4527339759635638
Energy: 0.44310557125088945
Energy: 0.5269789522894642
Energy: 0.4459369298375419
Energy: 0.5065535275264667
Energy: 0.4570269306252334
Energy: 0.4554521491083951
Energy: 0.5122655105151463
Energy: 0.45494028543882387
Energy: 0.44689923909017254
Energy: 0.5619042318628829
Energy: 0.4488605074441475
Energy: 0.4483679970795451
Energy: 0.563070499489958
Energy: 0.45513718316176155
Energy: 0.5729839048909398
Energy: 0.6386734606790803
Energy: 0.4632923710054954
Energy: 0.4635689328213772
Energy: 0.4763620387710036
Energy: 0.46019535393799255
Energy: 0.4734687998253184
Energy: 0.7066190996203496
Energy: 0.5257171147481334
Energy: 0.4790617820683018
Energy: 0.48349269394424954
Energy: 0.5257047872707211
Energy: 0.47353027745506227
Energy: 0.5045482862297029
Energy: 0.6499532920962665
Energy: 0.473569490528783
Energy: 0.44968487046690986
Energy: 0.6470571964186554
Energy: 0.4745943484994792
Energy: 0.5257069235604754
Energy: 0.533975837328522
Energy: 0.5364595904278336
Energy: 0.49234442130264267
Energy: 0.5498087856855449
Energy: 0.5176717061375292
Energy: 0.719889813870021
Energy: 0.4854817873015567
Energy: 0.4768607356466002
Energy: 0.48038036577649457
Energy: 0.49436938067112196
Energy: 0.4760811962946321
Energy: 0.7543913209570422
Energy: 0.47609165936438463
Energy: 0.4757071322670337
Energy: 0.5523475787002123
Energy: 0.47698947163753036
Energy: 0.5635163447152813
Energy: 0.7527463260958431
Energy: 0.5305195772925094
Energy: 0.544915326783716
Energy: 0.5459348289714537
Energy: 0.5455071735839272
Energy: 0.4985200195175493
Energy: 0.5084850962781355
Energy: 0.5413463589190687
Energy: 0.4896400310530667
Energy: 0.4607234612541081
Energy: 0.5648796075942779
Energy: 0.4905929748166199

minimum gb energy = 0.4339945330095816 eV
minimum distance =  2.40238564281523 Angstroms
sigma value = 43


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

Energy: 0.43209854366653777
Energy: 0.5114030104695524
Energy: 0.46770412813013607
Energy: 0.39572645496215597
Energy: 0.5394382023118264
Energy: 0.4450118630311032
Energy: 0.5939775314792958
Energy: 0.38348858876232866
Energy: 0.3899331503529497
Energy: 0.43150987365270527
Energy: 0.3890084924607722
Energy: 0.38468337160116806
Energy: 0.6335722634107872
Energy: 0.37991062318464636
Energy: 0.38882919849964515
Energy: 0.4396944717456719
Energy: 0.3790506292488628
Energy: 0.38831062725395493
Energy: 0.5543577550712737
Energy: 0.3892549253474093
Energy: 0.38908350977859274
Energy: 0.4497371633212478
Energy: 0.41136633244632786
Energy: 0.4027596812844446
Energy: 0.49056246860117037
Energy: 0.38914145935811234
Energy: 0.38920182390206476
Energy: 0.44345642590204265
Energy: 0.3893613902668604
Energy: 0.384258680857605
Energy: 0.41878623019571776
Energy: 0.3826417522214596
Energy: 0.37847452299653533
Energy: 0.3977770597093712
Energy: 0.4884533095272759
Energy: 0.40168114806592414
Energy: 0.5876204132298883
Energy: 0.4893876479397059
Energy: 0.4886605562461975
Energy: 0.37017627705424555
Energy: 0.49357943285673117
Energy: 0.36916365569233783
Energy: 0.583449071819661
Energy: 0.36494944009354807
Energy: 0.36455075107606033
Energy: 0.4006786745282014
Energy: 0.36385015364454604
Energy: 0.3641417323528507
Energy: 0.45679361316559036
Energy: 0.36548876699604604
Energy: 0.3670479637477423
Energy: 0.4580231211967806
Energy: 0.35788406036151615
Energy: 0.4113867556530438
Energy: 0.45480583887321213
Energy: 0.3620286137367842
Energy: 0.36180994619903556
Energy: 0.45505787121646263
Energy: 0.3626103938815353
Energy: 0.36150362905133715
Energy: 0.414952714691354
Energy: 0.4344607259495171
Energy: 0.35860330918153843
Energy: 0.3559952051749527
Energy: 0.43454226743992486
Energy: 0.35882515739137205
Energy: 0.45926516668278766
Energy: 0.43433266859067554
Energy: 0.43523392892299456
Energy: 0.3593516083252708
Energy: 0.4401363528983131
Energy: 0.3587601296347973
Energy: 0.5628290404498086
Energy: 0.40328010765816386
Energy: 0.40796082852428467
Energy: 0.4061233960435953
Energy: 0.40161212362116433
Energy: 0.4060736869704097
Energy: 0.42189760621394146
Energy: 0.38974821512974595
Energy: 0.42650439315349387
Energy: 0.42321757147515815
Energy: 0.38981373896887356
Energy: 0.42336570488095326
Energy: 0.42184695868681604
Energy: 0.35652467488422535
Energy: 0.35577834903033595
Energy: 0.42210122204859407
Energy: 0.35508080418202226
Energy: 0.35586650025187255
Energy: 0.41844505712846175
Energy: 0.4166836214412363
Energy: 0.35581394221280094
Energy: 0.354810379718605
Energy: 0.4162374471516651
Energy: 0.3539497201163581
Energy: 0.42464813943038554
Energy: 0.4162281880913495
Energy: 0.42133675545064914
Energy: 0.355758182841313
Energy: 0.4162194112727114
Energy: 0.3551511423891614
Energy: 0.4165689179175036
Energy: 0.3570573001805789
Energy: 0.35785286138617817
Energy: 0.4222636687150389
Energy: 0.40080606670949864
Energy: 0.35698808550196026
Energy: 0.41654204451663507
Energy: 0.39049511700316936
Energy: 0.4213546754881386
Energy: 0.41701948092687496
Energy: 0.45847371145037297
Energy: 0.41647542917444985
Energy: 0.41640696639975894
Energy: 0.40991868587720015
Energy: 0.36249300964036857
Energy: 0.4223802742734061
Energy: 0.40173048634265623
Energy: 0.36126548956908755
Energy: 0.4369507389062481
Energy: 0.42203914156921485
Energy: 0.42565077144992186
Energy: 0.35810944759992347
Energy: 0.4218084163241392
Energy: 0.3602196119903183
Energy: 0.4200549780109411
Energy: 0.42237275038353594
Energy: 0.35229816440342854
Energy: 0.3549460204133359
Energy: 0.4219602902702291
Energy: 0.35347054830878105
Energy: 0.4342087424781863
Energy: 0.3553202432327553
Energy: 0.35753815765818425
Energy: 0.4341166031114035
Energy: 0.35583499538035046
Energy: 0.3567118481347152
Energy: 0.43438200177139114
Energy: 0.39808072473017986
Energy: 0.399186613863131
Energy: 0.4355617351528323
Energy: 0.3541284364166115
Energy: 0.43468659416529065
Energy: 0.5713386115836954
Energy: 0.3852550761899161
Energy: 0.3885528386899164
Energy: 0.4184373417457665
Energy: 0.3852472858030203
Energy: 0.4181986780676413
Energy: 0.5245306801565969
Energy: 0.4550301948206416
Energy: 0.45492166782392546
Energy: 0.3594891638797343
Energy: 0.45501654335558395
Energy: 0.3586841239972887
Energy: 0.4169657479048984
Energy: 0.4556983684702222
Energy: 0.367333157074719
Energy: 0.36642508239079635
Energy: 0.45407828127431604
Energy: 0.3643648090218027
Energy: 0.46782138353769315
Energy: 0.36880114982843226
Energy: 0.3667328339032963
Energy: 0.4378389788392737
Energy: 0.3694622046786258
Energy: 0.36944827113461604
Energy: 0.4916973541332236
Energy: 0.37628973195429144
Energy: 0.3881063374220715
Energy: 0.4926873417832368
Energy: 0.3646358222215539
Energy: 0.38302138828056725
Energy: 0.5998030189908804
Energy: 0.3725400674824037
Energy: 0.37666812611159395
Energy: 0.3822936523791876
Energy: 0.3718476179615344
Energy: 0.37560963795329777
Energy: 0.5981633088346187
Energy: 0.44537801245073433
Energy: 0.44581518121268954
Energy: 0.38790087274256824
Energy: 0.4476200290090446
Energy: 0.388170584907561
Energy: 0.4244009540164928
Energy: 0.4476350789476951
Energy: 0.39496074217761823
Energy: 0.3782639432776541
Energy: 0.4878859090024901
Energy: 0.4010649965539607
Energy: 0.549837464265374
Energy: 0.4367258446305124
Energy: 0.4247578638390768
Energy: 0.4518139985224859
Energy: 0.4357586685106895
Energy: 0.4186993660676955
Energy: 0.6002581579752726
Energy: 0.4091928254274576
Energy: 0.4093156999665862
Energy: 0.4081667019835063
Energy: 0.46075487140843097
Energy: 0.4361166719137547
Energy: 0.6352167573642628
Energy: 0.3943802053835984
Energy: 0.4095306284047738
Energy: 0.42404415449319605
Energy: 0.39240916911076024
Energy: 0.4150562700432375
Energy: 0.6057376522365643
Energy: 0.43478779766661657
Energy: 0.42430613146349805
Energy: 0.43343093120745635
Energy: 0.4348073038635276
Energy: 0.3849473041903095

minimum gb energy = 0.35229816440342854 eV
minimum distance =  2.41088406720498 Angstroms
sigma value = 81


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

Energy: 0.23880940771568135
Energy: 0.4166516553536603
Energy: 0.012739501891886527
Energy: 0.013985548784636636
Energy: 0.41460342133846984
Energy: 0.2390806954546958
Energy: 0.4674474704276888
Energy: 0.4424537638738436
Energy: 0.44403216060113837
Energy: 0.4826655069041832
Energy: 0.4449156487697769
Energy: 0.44303840631323615
Energy: 0.46269293700632214
Energy: 0.012661743907629183
Energy: 0.012640305294910628
Energy: 0.4809140257298659
Energy: 0.012593403840465109
Energy: 0.0413323257666875
Energy: 0.4636252394839119
Energy: 0.012650105231408524
Energy: 0.012790340230918554
Energy: 0.472112169899921
Energy: 0.012647422471050948
Energy: 0.041020169742491217
Energy: 0.04059704369666365
Energy: 0.4938420357138084
Energy: 0.4948238482259848
Energy: 0.04130602923322045
Energy: 0.49350339269247645
Energy: 0.4950163952047158
Energy: 0.013234109453281491
Energy: 0.46829734182342114
Energy: 0.012610016568691143
Energy: 0.014526752612552865
Energy: 0.4656668878957135
Energy: 0.012603755149141993
Energy: 0.48963369360568704
Energy: 0.4412240080298403
Energy: 0.4412858727772264
Energy: 0.49580432748873826
Energy: 0.44484847552310447
Energy: 0.46701261607452726
Energy: 0.48842320086533453
Energy: 0.012580261022247245
Energy: 0.012575490332679653
Energy: 0.49622807353491305
Energy: 0.012428308097417386
Energy: 0.012632127845781809
Energy: 0.4378773532966362
Energy: 0.012845790665704827
Energy: 0.04214626517987046
Energy: 0.45683289690976064
Energy: 0.012666379634594103
Energy: 0.04190932435973061
Energy: 0.23947462781801257
Energy: 0.468584379488239
Energy: 0.4319171170752726
Energy: 0.01315004870196406
Energy: 0.464768380366642
Energy: 0.4656270945079065

minimum gb energy = 0.012428308097417386 eV
minimum distance =  2.47929732556891 Angstroms
sigma value = 3


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

Energy: 0.46295865373572814
Energy: 0.45101762371912907
Energy: 0.4549475384103713
Energy: 0.4251196048403393
Energy: 0.45020434335252485
Energy: 0.4304282464048101
Energy: 0.4762572613562017
Energy: 0.4647694948186612
Energy: 0.46054533161854555
Energy: 0.4619175266736509
Energy: 0.469892767789937
Energy: 0.4602334357495774
Energy: 0.4767236369528863
Energy: 0.4356881801057616
Energy: 0.4361561985093337
Energy: 0.46418718256246466
Energy: 0.4371245735133557
Energy: 0.45001435637252246
Energy: 0.460429293639118
Energy: 0.4368200352492797
Energy: 0.43655591239721847
Energy: 0.46161433690931103
Energy: 0.4369991470492414
Energy: 0.4523593691499961
Energy: 0.4187331874710885
Energy: 0.46326581252987237
Energy: 0.4610028465654163
Energy: 0.4372218618783345
Energy: 0.46920775383784413
Energy: 0.4608723778024583
Energy: 0.4383210463127942
Energy: 0.45919175044251226
Energy: 0.4489323415122404
Energy: 0.3855555761934932
Energy: 0.4592018668612659
Energy: 0.42705210096418894
Energy: 0.45910592578719384
Energy: 0.4544865899887232
Energy: 0.448085076119111
Energy: 0.4600283482259095
Energy: 0.43149137906542445
Energy: 0.481454680481667
Energy: 0.45462281378137676
Energy: 0.4375156930749851
Energy: 0.4381675724354225
Energy: 0.45475548662786947
Energy: 0.4182630892066495
Energy: 0.43904782590883573
Energy: 0.46899121294071733
Energy: 0.43895545409467746
Energy: 0.4517845604948355
Energy: 0.4668437220980981
Energy: 0.42113644290604185
Energy: 0.4524922154288203
Energy: 0.4648486464471248
Energy: 0.43184022615891027
Energy: 0.42697902091527357
Energy: 0.46463226297585364
Energy: 0.4317149452578663
Energy: 0.43554792157457645
Energy: 0.4440503052006874
Energy: 0.445793682838915
Energy: 0.44683577859439344
Energy: 0.382917080199604
Energy: 0.45254490280406007
Energy: 0.42652206295044226
Energy: 0.40337889808296523
Energy: 0.4525530518766002
Energy: 0.45312664817106707
Energy: 0.4013048628390189
Energy: 0.4559778804057117
Energy: 0.4009869775350221
Energy: 0.40305928215680525
Energy: 0.417959937885203
Energy: 0.433235295374564
Energy: 0.4030430575697507
Energy: 0.37241419681818444
Energy: 0.41678322250732497
Energy: 0.4467809135565006
Energy: 0.4126115981529178
Energy: 0.4361326082039718
Energy: 0.4052512557830651
Energy: 0.4085740756393598
Energy: 0.43581382149207815
Energy: 0.4478980509844967
Energy: 0.3837924936292939
Energy: 0.38278479840074053
Energy: 0.443100141379391
Energy: 0.38913432380190865
Energy: 0.38306041403017205
Energy: 0.44140167204962416
Energy: 0.42687698338946534
Energy: 0.42613941839366276
Energy: 0.42282173223286407
Energy: 0.4399394766638575
Energy: 0.42674124116584206
Energy: 0.3795733005741073
Energy: 0.4265122033869749
Energy: 0.42560726930704607
Energy: 0.3736910278937067
Energy: 0.42840667888166795
Energy: 0.3732189193457435
Energy: 0.37470915364861673
Energy: 0.4203949289714004
Energy: 0.4217281479574048
Energy: 0.3750559427200303
Energy: 0.3784933024311445
Energy: 0.4214763228560374
Energy: 0.43523063325210587
Energy: 0.393423533300962
Energy: 0.41987348104621436
Energy: 0.3779731179032642
Energy: 0.39448498990467995
Energy: 0.42135835767417684
Energy: 0.44047149163440863
Energy: 0.3736277386309497
Energy: 0.37324310944032396
Energy: 0.441363097923537
Energy: 0.3800641000022967
Energy: 0.37350650610029473
Energy: 0.43970413960067023
Energy: 0.4223662915858838
Energy: 0.4265364816008326
Energy: 0.4391892789198428
Energy: 0.42679857871747634
Energy: 0.4252601785199154
Energy: 0.3874641960551454
Energy: 0.4226311355783621
Energy: 0.4253141046410849
Energy: 0.38628850892267547
Energy: 0.4244249560189178
Energy: 0.3829770584363866
Energy: 0.3834219202705213
Energy: 0.43566778799507444
Energy: 0.4352345201952191
Energy: 0.3834001587579233
Energy: 0.43627677630014255
Energy: 0.4337500912528166
Energy: 0.4431365017837271
Energy: 0.40284474667879067
Energy: 0.43378846093298196
Energy: 0.37746129230944475
Energy: 0.4025939801331618
Energy: 0.4244303880564638
Energy: 0.4561065581521004
Energy: 0.40134190475098
Energy: 0.4007766957244121
Energy: 0.45685758329427123
Energy: 0.40826503120117524
Energy: 0.4013299820171135
Energy: 0.4564019925065652
Energy: 0.4353666943395783
Energy: 0.4358922781135512
Energy: 0.4571443088275774
Energy: 0.41657278833927225
Energy: 0.4472065073033949
Energy: 0.4304998735659497
Energy: 0.4356045944811169
Energy: 0.43613078511748954
Energy: 0.43080834342516167
Energy: 0.45603672814662016
Energy: 0.4356937733809376
Energy: 0.40875720651088027
Energy: 0.4640040196687436
Energy: 0.4616348871953568
Energy: 0.4086174643685266
Energy: 0.4690973784851617
Energy: 0.46159040494613984
Energy: 0.44364739479505055
Energy: 0.4557871225961674
Energy: 0.4520427922516665
Energy: 0.3864748738354181
Energy: 0.456320605872283
Energy: 0.42799345383322623
Energy: 0.43204198544363476
Energy: 0.45546634808456604
Energy: 0.4551308509010978
Energy: 0.4298313047451455
Energy: 0.4583551500739929
Energy: 0.4521815124069234
Energy: 0.4551062174422754
Energy: 0.43887549620807254
Energy: 0.4391437618789455
Energy: 0.45512023047263345
Energy: 0.3744281781452358
Energy: 0.43964763301144427
Energy: 0.4824681659850595
Energy: 0.44091144611128086
Energy: 0.4637314943038291
Energy: 0.46166046812562833
Energy: 0.4140048871961098
Energy: 0.46215631446791366
Energy: 0.42486821842049927
Energy: 0.4547541970639239
Energy: 0.454243215356245
Energy: 0.424781554539717
Energy: 0.46105416423693535
Energy: 0.44069361046110544

minimum gb energy = 0.37241419681818444 eV
minimum distance =  2.35525534046264 Angstroms
sigma value = 67


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

Energy: 0.569954548078756
Energy: 0.5557796876407299
Energy: 0.5642529476348671
Energy: 0.5024128961272503
Energy: 0.5560718427441141
Energy: 0.5694475956556606
Energy: 0.5932436030564396
Energy: 0.5661157066607347
Energy: 0.5726582031853532
Energy: 0.5719276296806282
Energy: 0.5696763223227892
Energy: 0.5619120378620789
Energy: 0.5923569467517843
Energy: 0.5435921301208472
Energy: 0.5455706493432635
Energy: 0.5675434998891377
Energy: 0.5439238541205647
Energy: 0.5464494118273074
Energy: 0.5566551504903395
Energy: 0.5462457113401197
Energy: 0.5469225122884196
Energy: 0.5579682584065333
Energy: 0.5509095892025241
Energy: 0.5590451226884424
Energy: 0.5498373041692549
Energy: 0.5668287908580538
Energy: 0.569016397528509
Energy: 0.5499724895417767
Energy: 0.5630980403796955
Energy: 0.5629345082735822
Energy: 0.5416977874359046
Energy: 0.5547540743853241
Energy: 0.5622450964046755
Energy: 0.5198082568046761
Energy: 0.5540016514265591
Energy: 0.5508717898509947
Energy: 0.5631815670644421
Energy: 0.5589022625821809
Energy: 0.5567577254032622
Energy: 0.5631779457700615
Energy: 0.5566417293221742
Energy: 0.553972713580532
Energy: 0.5589749138841381
Energy: 0.5043009160303842
Energy: 0.5490860746425801
Energy: 0.5593090650551774
Energy: 0.4991005832020538
Energy: 0.5651782106508464
Energy: 0.5639232311534252
Energy: 0.5643595765395051
Energy: 0.5676593794648026
Energy: 0.5634863268551991
Energy: 0.5546865635500129
Energy: 0.5655097684703545
Energy: 0.5640273987194534
Energy: 0.526151547796904
Energy: 0.5277615350296031
Energy: 0.5644306192376006
Energy: 0.5235756869358293
Energy: 0.5368281689804635
Energy: 0.5557466691573185
Energy: 0.5505681974932881
Energy: 0.5504850555175006
Energy: 0.5016435829028373
Energy: 0.5538003048380976
Energy: 0.5513373128834843
Energy: 0.505482667253422
Energy: 0.5478274285573311
Energy: 0.5488140336600938
Energy: 0.5067738331769543
Energy: 0.5302509886467567
Energy: 0.501785198211007
Energy: 0.5073839510281974
Energy: 0.5068798167955247
Energy: 0.5434889638087924
Energy: 0.5080706757628719
Energy: 0.5027767311312478
Energy: 0.5025327303508234
Energy: 0.5511127688237358
Energy: 0.5447984047201544
Energy: 0.5423600482697721
Energy: 0.5015490263132223
Energy: 0.5525149081479339
Energy: 0.5425127006265138
Energy: 0.5543629765208088
Energy: 0.5043794931499879
Energy: 0.507598461884016
Energy: 0.5531142842596777
Energy: 0.5021512847712075
Energy: 0.5030772800607222
Energy: 0.5541559688335715
Energy: 0.5527084839718184
Energy: 0.5496951941655014
Energy: 0.5313313673868598
Energy: 0.5639956555972595
Energy: 0.5480797307618118
Energy: 0.5264964196453581
Energy: 0.5005155129811494
Energy: 0.5419068993488438
Energy: 0.5269185300547925
Energy: 0.4954110966253352
Energy: 0.5375763349411217
Energy: 0.5289373578706137
Energy: 0.567802944031072
Energy: 0.5678629470301781
Energy: 0.5209611315380087
Energy: 0.5660298275148978
Energy: 0.5253658935758356
Energy: 0.5442483760376406
Energy: 0.5596893095959398
Energy: 0.5577723437488152
Energy: 0.5068887586749431
Energy: 0.5653163931454147
Energy: 0.5591724657374859
Energy: 0.5604445345118273
Energy: 0.5582003162878041
Energy: 0.5597146107530299
Energy: 0.5605590773775033
Energy: 0.5610155391858108
Energy: 0.5678052289686696
Energy: 0.5530440264148614
Energy: 0.5589945138069036
Energy: 0.5703151987600419
Energy: 0.5529048168943652
Energy: 0.5467062228443936
Energy: 0.569422514112986
Energy: 0.592033943459628
Energy: 0.5435486266650059
Energy: 0.5695154050320235
Energy: 0.5673282745381029
Energy: 0.5438001524534438
Energy: 0.569847884318504
Energy: 0.5617778931034815
Energy: 0.5553957697521168
Energy: 0.5573264429443283
Energy: 0.5630284955775309
Energy: 0.558042622046456
Energy: 0.5611925877086708

minimum gb energy = 0.4954110966253352 eV
minimum distance =  2.35869387670868 Angstroms
sigma value = 33


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

Energy: 0.6663318399878685
Energy: 0.6684039923466351
Energy: 0.6688287902586855
Energy: 0.6269517239018061
Energy: 0.6668316821819809
Energy: 0.650102823255956
Energy: 0.6940050418620112
Energy: 0.6598025619192304
Energy: 0.6510457521537834
Energy: 0.6657892755211259
Energy: 0.668567550743111
Energy: 0.6616493418768431
Energy: 0.6899593270005893
Energy: 0.6259424150801726
Energy: 0.6342376785873061
Energy: 0.657154637961622
Energy: 0.623098193307593
Energy: 0.6381420936999322
Energy: 0.6803584118323005
Energy: 0.6345782559352058
Energy: 0.6399737340054523
Energy: 0.6809351779832786
Energy: 0.6379047563438821
Energy: 0.6383953264133229
Energy: 0.6361409442559803
Energy: 0.6609254006088242
Energy: 0.6634414035991538
Energy: 0.6378650741115338
Energy: 0.6662680348485551
Energy: 0.6547242790161992
Energy: 0.6323420826640536
Energy: 0.6495286554259194
Energy: 0.6522518046871908
Energy: 0.5937034573528511
Energy: 0.6492738159482087
Energy: 0.6353292793318785
Energy: 0.6345660682194434
Energy: 0.6484141135339991
Energy: 0.6526285063529622
Energy: 0.634871186811914
Energy: 0.6757901103780384
Energy: 0.6300440472326984
Energy: 0.636270946904242
Energy: 0.5932887455726615
Energy: 0.6096550493562588
Energy: 0.6360201179860354
Energy: 0.597510383939743
Energy: 0.6254415882141676
Energy: 0.6399205662566221
Energy: 0.6281666961430329
Energy: 0.6441487619032328
Energy: 0.6293893114135357
Energy: 0.6302504242579653
Energy: 0.64182027123824
Energy: 0.6401655688309463
Energy: 0.5980605237557461
Energy: 0.5945446766193218
Energy: 0.6400987037836632
Energy: 0.5952724666190751
Energy: 0.5927899444124568
Energy: 0.6397428539824292
Energy: 0.6338848153499105
Energy: 0.6300978609699309
Energy: 0.5970545966758242
Energy: 0.6418288900412109
Energy: 0.629836950931198
Energy: 0.5942245623781788
Energy: 0.5937908951218921
Energy: 0.594453217068961
Energy: 0.5938745539784316
Energy: 0.6080879062122636
Energy: 0.5943986311407863
Energy: 0.5946159712983022
Energy: 0.6419565413762334
Energy: 0.6270057586214318
Energy: 0.5947943961993878
Energy: 0.630869659076868
Energy: 0.5942858116360142
Energy: 0.6395306639370855
Energy: 0.6393711491954222
Energy: 0.6406169599521396
Energy: 0.5831286085185637
Energy: 0.643610292947288
Energy: 0.6289793337286661
Energy: 0.6429674475682202
Energy: 0.6295495768252514
Energy: 0.6339833083552677
Energy: 0.6439894122241604
Energy: 0.6368464078105184
Energy: 0.6268028201379239
Energy: 0.626209632303736
Energy: 0.6400448509026605
Energy: 0.6548748642317596
Energy: 0.6251265980602358
Energy: 0.6294409635220267
Energy: 0.6305447323401342
Energy: 0.6940959674700509
Energy: 0.6109910610399152
Energy: 0.624451904582193
Energy: 0.6571538825010365
Energy: 0.6061548685135189
Energy: 0.6458426008738252
Energy: 0.6943492070577639
Energy: 0.6632956035706059
Energy: 0.6593137058075664
Energy: 0.6669236637820823
Energy: 0.6799894192511813
Energy: 0.6637220110867414
Energy: 0.6196143306951675
Energy: 0.6583400155671142
Energy: 0.6387202091188287
Energy: 0.6027415696987237
Energy: 0.6577004132223063
Energy: 0.6366594775634776
Energy: 0.6536725080834553
Energy: 0.6552274220480876
Energy: 0.661783482541071
Energy: 0.6536635031706225
Energy: 0.6678815028355387
Energy: 0.6561299818755497
Energy: 0.694064909738709
Energy: 0.6342314342240317
Energy: 0.6431847887988283
Energy: 0.6628200899854436
Energy: 0.6350249960160759
Energy: 0.6427244017863543
Energy: 0.6584288527780748
Energy: 0.6257397543497145
Energy: 0.6346546523174618
Energy: 0.658693751671718
Energy: 0.6229907387607087
Energy: 0.6386337911860175
Energy: 0.6378898374775908
Energy: 0.6629954283829378
Energy: 0.6488297183247491
Energy: 0.6388844317097451
Energy: 0.668516890635849
Energy: 0.6581566446281548
Energy: 0.631485651054663
Energy: 0.6509080657519883
Energy: 0.6514316287788381
Energy: 0.5900421976596903
Energy: 0.6509609385253005
Energy: 0.6315387147320841
Energy: 0.6338298650653217
Energy: 0.6501946391133844
Energy: 0.6553741656067031
Energy: 0.6341218528356259
Energy: 0.6673034984551618
Energy: 0.6603539162057713
Energy: 0.6390592857120893
Energy: 0.5936273963795101
Energy: 0.6483031999879357
Energy: 0.6352627139673512
Energy: 0.5974367104213221
Energy: 0.6269402554917555
Energy: 0.6396126313489293
Energy: 0.6108334890353991
Energy: 0.6451223885164278
Energy: 0.6431532394069199
Energy: 0.6294319623144867
Energy: 0.6418042839610583
Energy: 0.6397804462522334
Energy: 0.5978001466736308
Energy: 0.5942878551786167
Energy: 0.6397491642436322
Energy: 0.5953387381408293
Energy: 0.5935061057409875
Energy: 0.6403954706022124
Energy: 0.62098218834607
Energy: 0.632254401423878
Energy: 0.5981030555836356
Energy: 0.6189629293083857
Energy: 0.6312686307921818
Energy: 0.5938454166927409
Energy: 0.5941862717166212
Energy: 0.5953720023647506
Energy: 0.5940377719286631
Energy: 0.6034141005565742
Energy: 0.5941275756491073
Energy: 0.5971816164668466
Energy: 0.6408874335652932
Energy: 0.6324598470367697
Energy: 0.5968557583229628
Energy: 0.6309105587083012
Energy: 0.5945613824138876
Energy: 0.6384452636004092
Energy: 0.6403175837361761
Energy: 0.6433442312956649
Energy: 0.5836445072103889
Energy: 0.6413275919609565
Energy: 0.6276755544697137
Energy: 0.644687511008561
Energy: 0.6301206971126775
Energy: 0.6345722963478253
Energy: 0.6447210320618209
Energy: 0.6374795131081722
Energy: 0.6438766670066828
Energy: 0.625652694120601
Energy: 0.6532903088515325
Energy: 0.6334683846310015
Energy: 0.6255400531299338
Energy: 0.6029449084363172
Energy: 0.6325913162270305
Energy: 0.748941552735427
Energy: 0.6014220447471805
Energy: 0.6258209624365341
Energy: 0.6584383100821286
Energy: 0.580770685262793
Energy: 0.6461157092030151
Energy: 0.6947427157563202
Energy: 0.6618372388858237
Energy: 0.6977894927784072
Energy: 0.6679842922189939
Energy: 0.687405936812214
Energy: 0.6607609434794124
Energy: 0.6198909511757232
Energy: 0.6583567435766291
Energy: 0.6398940842250282
Energy: 0.6010777336630748
Energy: 0.6569764678877704
Energy: 0.6355554105221854

minimum gb energy = 0.580770685262793 eV
minimum distance =  2.37457087217588 Angstroms
sigma value = 41


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

Energy: 0.7990707822331653
Energy: 0.7606898080675051
Energy: 0.8171953504678278
Energy: 0.7202135439676205
Energy: 0.7606288549475991
Energy: 0.7189340025297412
Energy: 0.8287277901733071
Energy: 0.7431147933423838
Energy: 0.7320004883188842
Energy: 0.7456923361054295
Energy: 0.7483421389597106
Energy: 0.7318017732562231
Energy: 0.8309114620781474
Energy: 0.7158570277640135
Energy: 0.7140464994791398
Energy: 0.7478419425486125
Energy: 0.7176907370152983
Energy: 0.7146327882751713
Energy: 0.7784328841092963
Energy: 0.7159024946110389
Energy: 0.7141914735571869
Energy: 0.779195050770174
Energy: 0.7258488023321706
Energy: 0.7175554785861381
Energy: 0.735762994565883
Energy: 0.7333767383911434
Energy: 0.7330956205198065
Energy: 0.7358077186155344
Energy: 0.7483023161694019
Energy: 0.7166838042957725
Energy: 0.7654442346401146
Energy: 0.7320047090577326
Energy: 0.7169182162892693
Energy: 0.7281089479000993
Energy: 0.7463333758529437
Energy: 0.7158784340398627
Energy: 0.7350708854121382
Energy: 0.7194386790074384
Energy: 0.7308442095782209
Energy: 0.7343893734870153
Energy: 0.7194304651311023
Energy: 0.7180518795539832
Energy: 0.7391607627088169
Energy: 0.7171710257805322
Energy: 0.716241002245866
Energy: 0.739955570632503
Energy: 0.7299511938372271
Energy: 0.7176218051319648
Energy: 0.7529014257501934
Energy: 0.7192156799177114
Energy: 0.7157780379345198
Energy: 0.7537036472312721
Energy: 0.7431864401296722
Energy: 0.717012876428419
Energy: 0.775291758237761
Energy: 0.7383390517904123
Energy: 0.7181195675355486
Energy: 0.7325925834962264
Energy: 0.7353872940982483
Energy: 0.716497971112771
Energy: 0.7331856743482337
Energy: 0.741198975470253
Energy: 0.7187183197088126
Energy: 0.7172358321671632
Energy: 0.7053614410623614
Energy: 0.7207344996094363
Energy: 0.8439974266086752
Energy: 0.7112795118353821
Energy: 0.7037082254437389
Energy: 0.8452449976544377
Energy: 0.7083870181966181
Energy: 0.704218024427084
Energy: 0.8323376675540729
Energy: 0.7330265468317263
Energy: 0.7305690375261941
Energy: 0.7468930746738878
Energy: 0.7378703486332059
Energy: 0.7311952477184981
Energy: 0.7713169388232062
Energy: 0.7456300019180516
Energy: 0.7089463123040487
Energy: 0.7052063100759284
Energy: 0.745675188273343
Energy: 0.7043263014397141

minimum gb energy = 0.7037082254437389 eV
minimum distance =  2.35591651181328 Angstroms
sigma value = 11


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

Energy: 0.8546442165514121
Energy: 0.9143211474802199
Energy: 0.8418479064860012
Energy: 0.8416150742020985
Energy: 0.9132692610698895
Energy: 0.8867272620435254
Energy: 0.9670458879541203
Energy: 0.8332570401059028
Energy: 0.8454625341120118
Energy: 0.8244462060758696
Energy: 0.8304213670393985
Energy: 0.8324044911780484
Energy: 0.9724820541491586
Energy: 0.8131720944888634
Energy: 0.8122837251089697
Energy: 0.8356757376262525
Energy: 0.816376564521164
Energy: 0.8373667035703034
Energy: 0.8518311653126105
Energy: 0.8352041330767681
Energy: 0.8350007997483634
Energy: 0.8291832494301696
Energy: 0.8354666171670693
Energy: 0.8360092526931667
Energy: 0.8424980008139215
Energy: 0.8372279463419293
Energy: 0.840912960914059
Energy: 0.8067836301987752
Energy: 0.8335305509954243
Energy: 0.839129341241345
Energy: 0.8629294818153188
Energy: 0.8179913415191782
Energy: 0.8249229632126343
Energy: 0.8318596025843668
Energy: 0.8125262346543581
Energy: 0.8290359663924781
Energy: 0.8562027432718723
Energy: 0.8306238393421701
Energy: 0.8335917522559075
Energy: 0.8571788858469049
Energy: 0.8261966128908503
Energy: 0.8278565844102826
Energy: 0.8478933185352377
Energy: 0.8399792128246234
Energy: 0.8402462213247153
Energy: 0.830942448640745
Energy: 0.8155899000113304
Energy: 0.839854160015088
Energy: 0.8254031320292137
Energy: 0.8378588436813098
Energy: 0.838311072642223
Energy: 0.8170416899831592
Energy: 0.8377632922968845
Energy: 0.8375375997349029
Energy: 0.8248463208115698
Energy: 0.8377767961151349
Energy: 0.8377145099498517
Energy: 0.8333063255226024
Energy: 0.8377976056036166
Energy: 0.8394493868226701
Energy: 0.84936471424767
Energy: 0.8438556688718568
Energy: 0.8414250129281725
Energy: 0.831079204664014
Energy: 0.8484438884898228
Energy: 0.840367139243705
Energy: 0.8415991664616604
Energy: 0.8182471128106038
Energy: 0.8098454451571467
Energy: 0.8420999286038909
Energy: 0.81093128426775
Energy: 0.8297317759214127
Energy: 0.838729017825026
Energy: 0.8355209817608829
Energy: 0.8350131479909751
Energy: 0.8394491523344552
Energy: 0.8327029642772028
Energy: 0.8348065903251859
Energy: 0.8358591273661434
Energy: 0.8381755502849474
Energy: 0.8383607647279434
Energy: 0.8297434353788116
Energy: 0.8361999378353996
Energy: 0.8244723434897204
Energy: 0.8305856388583893
Energy: 0.8340898578253448
Energy: 0.8337239090578685
Energy: 0.8259566497907069
Energy: 0.8326196294123926
Energy: 0.8342377834555174
Energy: 0.828431317481302
Energy: 0.834590776617421
Energy: 0.834204676020285
Energy: 0.8294047353392399
Energy: 0.8346920395727766
Energy: 0.8356738900304849
Energy: 0.8333740688065023
Energy: 0.8379669480473162
Energy: 0.8237558648251552
Energy: 0.8166475424049751
Energy: 0.8354342071045763
Energy: 0.826035515657906
Energy: 0.8502205804604172
Energy: 0.8561628110737527
Energy: 0.8570144049966837
Energy: 0.8431157365323834
Energy: 0.8698042039913951
Energy: 0.813971076144686
Energy: 0.8370321329790751
Energy: 0.8346713363785604
Energy: 0.8353875883253781
Energy: 0.8378533442929668
Energy: 0.8272504897883743
Energy: 0.8356119666539312
Energy: 0.8397339331446088
Energy: 0.8110256742932015
Energy: 0.8094952349753456
Energy: 0.8308120817852392
Energy: 0.8119116317354531
Energy: 0.8348176132180606
Energy: 0.8972225611418408
Energy: 0.8381037051057095
Energy: 0.8292821580628317
Energy: 0.8284902109433736
Energy: 0.837261730580255
Energy: 0.8334541643603388
Energy: 0.8558301719569956
Energy: 0.8325162034439099
Energy: 0.8350932064381972
Energy: 0.8109617081597784
Energy: 0.8292104196648565
Energy: 0.8344563128685758
Energy: 0.8336484389084863
Energy: 0.8323390112700702
Energy: 0.8229677812275994
Energy: 0.8145979867257173
Energy: 0.8305443797812823
Energy: 0.8233697466370735
Energy: 0.8955950299418787
Energy: 0.8206685283464162
Energy: 0.8357469391493706
Energy: 0.8268925992275357
Energy: 0.8374494046402595
Energy: 0.8354920913439025
Energy: 0.8793084779832679
Energy: 0.8163317161130331
Energy: 0.8356896277389119
Energy: 0.8722260642815899
Energy: 0.8431788892041224
Energy: 0.8383242066427398
Energy: 0.872560617575037
Energy: 0.8172727862723685
Energy: 0.8253035546522077
Energy: 0.8306521522010033
Energy: 0.8212434443245866
Energy: 0.8343778825367812
Energy: 0.8717192695300233
Energy: 0.8337154390815852
Energy: 0.8366887138306711
Energy: 0.833353176735566
Energy: 0.829590151392854
Energy: 0.8343387111352748
Energy: 0.8624772377473032
Energy: 0.8407000775736044
Energy: 0.8360227866125811
Energy: 0.83152459028373
Energy: 0.832309665305018
Energy: 0.8340700939432735
Energy: 0.8721262900982405
Energy: 0.8166888040535588
Energy: 0.8256585103347562
Energy: 0.8559405429491415
Energy: 0.8348949081662762
Energy: 0.8362057402932516
Energy: 0.9674577568691478
Energy: 0.8222037091696042
Energy: 0.8368794807526098
Energy: 0.8320978930968222
Energy: 0.8252790662788992
Energy: 0.8356289743333396
Energy: 0.8411848652276678
Energy: 0.8257553347225247
Energy: 0.8241983276535947
Energy: 0.8086885431517573
Energy: 0.8310679346778919
Energy: 0.806235799240988

minimum gb energy = 0.806235799240988 eV
minimum distance =  2.34587977440888 Angstroms
sigma value = 57


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

Energy: 1.1455746712440358
Energy: 1.2271712759829323
Energy: 0.8348026962541414
Energy: 0.8499016972978504
Energy: 1.222265306901545
Energy: 0.9676979810826359
Energy: 0.9285881738531933
Energy: 0.8539646568596456
Energy: 0.8588339202066584
Energy: 0.8516937332343506
Energy: 0.8528996367856945
Energy: 0.850923890781547
Energy: 0.8691335610925044
Energy: 0.8556301687466545
Energy: 0.8548695237219784
Energy: 0.856513524907441
Energy: 0.8492942671796362
Energy: 0.8516400557171411
Energy: 0.8537736174008803
Energy: 0.8518674644379229
Energy: 0.853952370277091
Energy: 0.8541535285667351
Energy: 0.8509332197476522
Energy: 0.8525819962649143
Energy: 0.8722432292031537
Energy: 0.8509060861140598
Energy: 0.8509189273450922
Energy: 0.8521385846975453
Energy: 0.8529568825792687
Energy: 0.8530577436286855
Energy: 0.8552296471463031
Energy: 0.8709246445824105
Energy: 0.8507192394988675
Energy: 0.8517136158775402
Energy: 0.8665301590242498
Energy: 0.8491883729775392
Energy: 0.885970622517662
Energy: 0.8612276463352461
Energy: 0.8611623980735917
Energy: 0.8861366504144169
Energy: 0.8615390211223816
Energy: 0.8705765071408617
Energy: 0.9292363152380622
Energy: 0.8522974356669917
Energy: 0.8557411385570327
Energy: 0.8537892988848658
Energy: 0.8534444579536834
Energy: 0.8555802135224226
Energy: 0.8345137860894193
Energy: 0.8538634772761006
Energy: 0.8362799156393378
Energy: 0.8378514650701107
Energy: 0.8542128495668532
Energy: 0.8346006730086302
Energy: 0.8335355401317543
Energy: 0.8528035585785202
Energy: 0.8580268828635919
Energy: 0.8372646285760219
Energy: 0.8539366735453654
Energy: 0.8352502347447851
Energy: 0.9296822740597757
Energy: 0.8562349162881201
Energy: 0.8589584605332585
Energy: 0.854390586751907
Energy: 0.8527097654322217
Energy: 0.8541020866058024
Energy: 0.874125312235021
Energy: 0.8544843141136153
Energy: 0.8545214469495563
Energy: 0.8567624149106379
Energy: 0.8619110654879762
Energy: 0.8557263593481881
Energy: 0.8640783450223616
Energy: 0.8641513344649984
Energy: 0.8528742703042083
Energy: 0.8529247927844462
Energy: 0.861059805047961
Energy: 0.8529428465905082
Energy: 0.8551466037671777
Energy: 0.8532844222997487
Energy: 0.8536899668716432
Energy: 0.8516903437036757
Energy: 0.8684746206392052
Energy: 0.8559719844737899
Energy: 0.867104275236232
Energy: 0.8347629085140335
Energy: 0.8494084497266559
Energy: 0.8548762566284525
Energy: 0.8602742537459723
Energy: 0.8538856285664878
Energy: 0.8681962806518847
Energy: 0.8582785509198835
Energy: 0.8529767813596091
Energy: 0.8551240977759675
Energy: 0.8612349387160992
Energy: 0.8594347651164125
Energy: 0.8332635611627464
Energy: 0.8559395030706889
Energy: 0.8492396037966662
Energy: 0.8337357304303464
Energy: 0.8573444738105657
Energy: 0.8540135399511107

minimum gb energy = 0.8332635611627464 eV
minimum distance =  2.36010763178351 Angstroms
sigma value = 9


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

Energy: 1.3979722729607496
Energy: 0.9218745864086216
Energy: 0.884522675328307
Energy: 0.8829288786266487
Energy: 0.9104583362288458
Energy: 0.8833551496505146
Energy: 0.906227306901088
Energy: 0.8874266828058772
Energy: 0.8831218233721259
Energy: 0.8954520887066358
Energy: 0.9063541449527482
Energy: 0.8850872734624206
Energy: 0.9034900937113192
Energy: 0.8872882219396129
Energy: 0.8893864740209121
Energy: 0.8615389397092472
Energy: 0.8922865914454351
Energy: 0.882605597863628
Energy: 0.887432165994012
Energy: 0.8929692737524262
Energy: 0.8863163958543314
Energy: 0.8810257972028682
Energy: 0.8803343250798676
Energy: 0.8874797033013592
Energy: 0.8847699437151771
Energy: 0.8638619369159439
Energy: 0.8672264074112798
Energy: 0.8613274533006691
Energy: 0.862442327622425
Energy: 0.8702883052487114
Energy: 0.8842159902484749
Energy: 0.8778566417051081
Energy: 0.8759262945832323
Energy: 0.8869615904954438
Energy: 0.8811607226486676
Energy: 0.8770563898758897
Energy: 0.8822038763823802
Energy: 0.8771503776095297
Energy: 0.89964883917832
Energy: 0.8589225566626734
Energy: 0.8782542219113807
Energy: 0.8925821096375773
Energy: 0.922980850348006
Energy: 0.8815574559570717
Energy: 0.8795517112301477
Energy: 0.891308119132761
Energy: 0.8785239833850937
Energy: 0.879753610875559
Energy: 0.9317171240589133
Energy: 0.8633364036278197
Energy: 0.8666429888315714
Energy: 0.8859232287003036
Energy: 0.861718217021675
Energy: 0.8862518760495673
Energy: 0.9269459115648487
Energy: 0.8637916035382897
Energy: 0.8668944568201813
Energy: 0.8884597640376279
Energy: 0.8610482141091426
Energy: 0.869372154981615
Energy: 0.9234130080776641
Energy: 0.8705583121566394
Energy: 0.8698619986443739
Energy: 0.8611414688579231
Energy: 0.8724945720477023
Energy: 0.8676793893704647
Energy: 0.9249618229361297
Energy: 0.8904997766280417
Energy: 0.8868839282248404
Energy: 0.8846041415846377
Energy: 0.882128994412046
Energy: 0.8845739366742095
Energy: 0.9325640576750952
Energy: 0.8817841704431532
Energy: 0.883059461199436
Energy: 0.8826385349692314
Energy: 0.8839787759949654
Energy: 0.8751333724614323
Energy: 0.9249698872481644
Energy: 0.8866028310372871
Energy: 0.8872663015088282
Energy: 0.8908830599752933
Energy: 0.8840862208569127
Energy: 0.8866789705628709
Energy: 0.921709159884338
Energy: 0.8709832072421323
Energy: 0.8698688283976693
Energy: 0.8634521349945998
Energy: 0.8720552294083596
Energy: 0.8661154768353561
Energy: 0.9044326478727591
Energy: 0.8904583559001166
Energy: 0.8713379998996319
Energy: 0.8611896400080876
Energy: 0.8922411048801339
Energy: 0.8668954389347766
Energy: 0.9007408138720188
Energy: 0.8888507318131679
Energy: 0.8877897959935374
Energy: 0.8822135180321684
Energy: 0.8873111603222076
Energy: 0.8883428470987506
Energy: 1.0014542004210478
Energy: 0.8666841997701763
Energy: 0.867487677170944
Energy: 0.9000586304552224
Energy: 0.8872695414190123
Energy: 0.8680316707619783
Energy: 0.9104087363465999
Energy: 0.8906591474147828
Energy: 0.8865818951773293
Energy: 0.8813719135315988
Energy: 0.8753486595840506
Energy: 0.8839538056942879
Energy: 0.904332285650638
Energy: 0.8901924738225266
Energy: 0.8876318685720063
Energy: 0.8613138804122945
Energy: 0.8919432363465865
Energy: 0.8843075778112571
Energy: 0.9131588813213615
Energy: 0.8860175925508031
Energy: 0.887251281921296
Energy: 0.8756214557557724
Energy: 0.8621401913143523
Energy: 0.8892437766293797

minimum gb energy = 0.8589225566626734 eV
minimum distance =  2.3254968565633 Angstroms
sigma value = 27


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

Energy: 1.3255498242539416
Energy: 1.2690457081341548
Energy: 0.8474202112120476
Energy: 0.8477851799065018
Energy: 0.892455255639949
Energy: 0.8471925595248931
Energy: 0.9362829421549247
Energy: 0.8623931867866305
Energy: 0.862457850394301
Energy: 0.8690221261510839
Energy: 0.863683431113966
Energy: 0.8587074992762974
Energy: 0.8785856860404294
Energy: 0.8705446900684338
Energy: 0.8691180407859914
Energy: 0.8539322644305529
Energy: 0.8529389022499618
Energy: 0.8645746611388039
Energy: 0.88129303730056
Energy: 0.8579689206885053
Energy: 0.8682544665263128
Energy: 0.8716358298159659
Energy: 0.8583347705115391
Energy: 0.8683928575077507
Energy: 0.8944997620321541
Energy: 0.855847707211193
Energy: 0.8538328097790642
Energy: 0.8457698164590113
Energy: 0.8611709693752678
Energy: 0.8599465572212341
Energy: 0.8955363412014987
Energy: 0.8672762242289732
Energy: 0.8651141695888394
Energy: 0.8704010548570668
Energy: 0.8709725258506388
Energy: 0.8652228080929643
Energy: 0.8748261187502973
Energy: 0.8661022772225583
Energy: 0.8794362475142016
Energy: 0.8577897406524607
Energy: 0.8664563796257448
Energy: 0.8568517704761043
Energy: 0.906312341322372
Energy: 0.8779625052037482
Energy: 0.8741637409757201
Energy: 0.8759833663712472
Energy: 0.8607750148988466
Energy: 0.8726551635325906
Energy: 0.8810388773769018
Energy: 0.8542186311869857
Energy: 0.8721091638313738
Energy: 0.8760202151667229
Energy: 0.8849298050813738
Energy: 0.8554850275048357
Energy: 0.9041764509350745
Energy: 0.8769718270622159
Energy: 0.8745399535410325
Energy: 0.8510148850854178
Energy: 0.8798989603222782
Energy: 0.8485246763721965
Energy: 0.9056143696150498
Energy: 0.8729859565066749
Energy: 0.8716901259827585
Energy: 0.8752417922103843
Energy: 0.8447345550212287
Energy: 0.8709086227984482
Energy: 0.904803576581094
Energy: 0.8753010949223491
Energy: 0.8728440662723748
Energy: 0.8924643778015531
Energy: 0.8646382464394409
Energy: 0.8720863866405149
Energy: 0.9573757822915349
Energy: 0.8763665712689402
Energy: 0.8690518503139933
Energy: 0.8771467728904695
Energy: 0.8716530385629532
Energy: 0.8693541259825391
Energy: 0.9511557795450548
Energy: 0.8720842960770474
Energy: 0.8711843729159541
Energy: 0.8700546336128967
Energy: 0.8739979716986893
Energy: 0.8718600854870745
Energy: 0.9054799335517602
Energy: 0.8673726561632402
Energy: 0.8658655761680301
Energy: 0.8849292724978305
Energy: 0.8656015741300456
Energy: 0.8645231740746361
Energy: 0.8847007937046042
Energy: 0.864710787763541
Energy: 0.8633680884991034
Energy: 0.8712970361794506
Energy: 0.86496485630405
Energy: 0.8630849831320974
Energy: 0.8956549337317679
Energy: 0.8615176933294482
Energy: 0.8627436712942983
Energy: 0.8465725528325241
Energy: 0.8836091086836838
Energy: 0.8648376414268928
Energy: 0.8996306930792026
Energy: 0.8711821358222783
Energy: 0.8690354447990902
Energy: 0.8715663003864591
Energy: 0.8813751918190978
Energy: 0.8686158975242548
Energy: 0.8753173342323024
Energy: 0.8653881755914891
Energy: 0.861974666574935
Energy: 0.8602358118798055
Energy: 0.8567038096322858
Energy: 0.8644847030173833
Energy: 0.8826400370596644
Energy: 0.8651245010502754
Energy: 0.8618574392494861
Energy: 0.8593364830213984
Energy: 0.8602055654032199
Energy: 0.864063487977677
Energy: 0.900692637091009
Energy: 0.8530947571057002
Energy: 0.8544041636321958
Energy: 0.868480881396009
Energy: 0.8604424796925694
Energy: 0.869893642347897
Energy: 0.89039734836846
Energy: 0.853782602448817
Energy: 0.8540121375767493
Energy: 0.8507229648430578
Energy: 0.8551476084982587
Energy: 0.8582090439538397
Energy: 0.9003122937895915
Energy: 0.8677901103491567
Energy: 0.8651307579839578
Energy: 0.8592108091057103
Energy: 0.8782026831737788
Energy: 0.8658642536308598
Energy: 0.8774403828595382
Energy: 0.8703365228800896
Energy: 0.8686875424053375
Energy: 0.868877205493108
Energy: 0.8708796220293952
Energy: 0.8674432812361597
Energy: 0.9630935532014215
Energy: 0.8725347359819539
Energy: 0.8740456282106074
Energy: 0.8453370151528007
Energy: 0.8727160287760618
Energy: 0.8454549914072242

minimum gb energy = 0.8447345550212287 eV
minimum distance =  2.34449170651619 Angstroms
sigma value = 19


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

Energy: 0.8943415222253355
Energy: 0.8287543744855058
Energy: 0.8542476771176061
Energy: 0.8465004599033112
Energy: 0.8588376875830569
Energy: 0.8308331151962445
Energy: 0.8737804949882029
Energy: 0.8410814017651584
Energy: 0.8386791251672113
Energy: 0.8406345852896431
Energy: 0.8431804786259549
Energy: 0.8507582146549141
Energy: 0.8731867958047386
Energy: 0.839169979637004
Energy: 0.8394899856336783
Energy: 0.8343239656596992
Energy: 0.8407069667379407
Energy: 0.8408751810610098
Energy: 0.8709520532045852
Energy: 0.8408331302948664
Energy: 0.8375501358853814
Energy: 0.8415671636046043
Energy: 0.8411898952802451
Energy: 0.8384400833183691
Energy: 0.8760739212396932
Energy: 0.8406134310106422
Energy: 0.8407825556318318
Energy: 0.8444768018717332
Energy: 0.8371543578758641
Energy: 0.841616234996183
Energy: 0.8708055004209504
Energy: 0.8689879768323409
Energy: 0.8388089177233085
Energy: 0.8418868739247577
Energy: 0.8429720515312812
Energy: 0.8385726098624142
Energy: 0.8870558426927292
Energy: 0.8405716996581032
Energy: 0.8393788511924813
Energy: 0.8417934330568759
Energy: 0.843623431541207
Energy: 0.837146021265874
Energy: 0.8705681627122359
Energy: 0.8436604569994275
Energy: 0.838324930725583
Energy: 0.8425115395624526
Energy: 0.8466427869272567
Energy: 0.8377934274990212
Energy: 0.8689371814595553
Energy: 0.8378789738285464
Energy: 0.8443727701835445
Energy: 0.8412069905896584
Energy: 0.8358239994515729
Energy: 0.8442309065730723
Energy: 0.8769633809417949
Energy: 0.8450310974275705
Energy: 0.8435681321042013
Energy: 0.8398750315655719
Energy: 0.8474296152580606
Energy: 0.8435237056185269
Energy: 0.8732553831305452
Energy: 0.8320602539191956
Energy: 0.8300712136496969
Energy: 0.8431835796573713
Energy: 0.8285788465565169
Energy: 0.8318732955059867
Energy: 0.8798353845248479
Energy: 0.8470690910159401
Energy: 0.8302383102805457
Energy: 0.8258504554398334
Energy: 0.8370173215150498
Energy: 0.8253741989577601
Energy: 0.8906227716041025
Energy: 0.8361037520511396
Energy: 0.8294128952342497
Energy: 0.8396064716181785
Energy: 0.8638343741845078
Energy: 0.8299903472364515
Energy: 0.8898316858135262
Energy: 0.8493639588058332
Energy: 0.8435301511442691
Energy: 0.8281583594932775
Energy: 0.8522546730422903
Energy: 0.8416520627451006
Energy: 0.8785186093148987
Energy: 0.8340039819966582
Energy: 0.8337987602423056
Energy: 0.819771345976929
Energy: 0.8329830453555169
Energy: 0.8334861633861498
Energy: 0.8846189656076033
Energy: 0.8294913528110139
Energy: 0.8399111227404674
Energy: 0.8371597831489219
Energy: 0.8315932827808792
Energy: 0.8391695421044518
Energy: 0.8765951880302311
Energy: 0.8381213627219369
Energy: 0.8444851900420437
Energy: 0.8372451908893952
Energy: 0.8476957990287158
Energy: 0.8458657553283431
Energy: 0.9018387686914731
Energy: 0.8299234302878193
Energy: 0.829829886294217
Energy: 0.8294899685418359
Energy: 0.8257208279069022
Energy: 0.829850583830931
Energy: 0.8849719704487142
Energy: 0.8330264281265979
Energy: 0.8326530894412578
Energy: 0.8452512248707742
Energy: 0.8307906393499948
Energy: 0.8247548782599542
Energy: 0.8698331460601575
Energy: 0.8316055453694988
Energy: 0.8333864555078262
Energy: 0.8493123955239158
Energy: 0.8308739470772937
Energy: 0.8301412579034421
Energy: 0.847619335684667
Energy: 0.8305010802181523
Energy: 0.8307987749263958
Energy: 0.8363853436650859
Energy: 0.8271484075953894
Energy: 0.8302719472773399
Energy: 0.8473222948885932
Energy: 0.8264274140401476
Energy: 0.8268237011014934
Energy: 0.8490990400893208
Energy: 0.8189214741351066
Energy: 0.8316339840032179
Energy: 0.8626935551755729
Energy: 0.8274489658192825
Energy: 0.8127496007668801
Energy: 0.8563623769771329
Energy: 0.8298486756487635
Energy: 0.8360780833151409
Energy: 0.8734366816829645
Energy: 0.8269057476747951
Energy: 0.8319169560645973
Energy: 0.8507875403713364
Energy: 0.826671518095828
Energy: 0.8326622110409077
Energy: 0.8928679520793975
Energy: 0.8233361143222779
Energy: 0.8331110653779026
Energy: 0.8333577474237458
Energy: 0.8196149596320552
Energy: 0.8338629413864183
Energy: 0.8801460218209899
Energy: 0.8358748807952914
Energy: 0.8373209094607214
Energy: 0.8389706513898431
Energy: 0.8349602529087561
Energy: 0.8384124640422437
Energy: 0.8736597239966961
Energy: 0.8452506930342343
Energy: 0.8430413915296753
Energy: 0.8535713358403464
Energy: 0.8378040962313867
Energy: 0.842519054876757
Energy: 0.8736343549637152
Energy: 0.8407542623317001
Energy: 0.8444826698305428
Energy: 0.8359230669280537
Energy: 0.841540022052488
Energy: 0.8410868136690102
Energy: 0.8931203874583665
Energy: 0.8747917804069728
Energy: 0.8744926670092216
Energy: 0.8266088429424513
Energy: 0.8777551486472707
Energy: 0.832207679351517

minimum gb energy = 0.8127496007668801 eV
minimum distance =  2.33525625868466 Angstroms
sigma value = 101


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

Energy: 1.2604717640779364
Energy: 0.8144611344773429
Energy: 0.8315033351987181
Energy: 0.7810486044343143
Energy: 0.8146235678520348
Energy: 0.7801420778965317
Energy: 0.9215145691914481
Energy: 0.8137940681301208
Energy: 0.8113764712817174
Energy: 0.8056934629384344
Energy: 0.7999805973382228
Energy: 0.8101628403741914
Energy: 0.8640421980280163
Energy: 0.8038041318853044
Energy: 0.8083698335980395
Energy: 0.7991067181503873
Energy: 0.8055045062256544
Energy: 0.7998067632691673
Energy: 0.8492988670107785
Energy: 0.8152385936233604
Energy: 0.8133680068434191
Energy: 0.7998710001778627
Energy: 0.8120090455955887
Energy: 0.8131821499194328
Energy: 0.828611606124134
Energy: 0.7998838491507935
Energy: 0.8012026678250536
Energy: 0.8176379918293886
Energy: 0.799644170691333
Energy: 0.8147823792143313
Energy: 0.836501503754822
Energy: 0.8116900658522269
Energy: 0.8112164675748997
Energy: 0.8300079650729485
Energy: 0.8131083095539055
Energy: 0.8150845522716148
Energy: 0.832687530598271
Energy: 0.8011108137213527
Energy: 0.806311769999477
Energy: 0.8253339130867199
Energy: 0.802938653566382
Energy: 0.7982152983742883
Energy: 0.8434462285618773
Energy: 0.8086050960238842
Energy: 0.8089977987696927
Energy: 0.8100397592336146
Energy: 0.8156259145623946
Energy: 0.8095122188751606
Energy: 0.8166004660627094
Energy: 0.7987315256151742
Energy: 0.8060969587307028
Energy: 0.8073785018732774
Energy: 0.7975393609422253
Energy: 0.8034629600153734
Energy: 0.826987679230335
Energy: 0.8185530040212229
Energy: 0.8163161045313886
Energy: 0.8107996257269349
Energy: 0.8210002641700204
Energy: 0.8158629468578953
Energy: 0.8565690066087717
Energy: 0.8061669569381382
Energy: 0.8029179243477171
Energy: 0.8002874948801779
Energy: 0.7947376517141864
Energy: 0.7774186394889827
Energy: 0.862152576145682
Energy: 0.8140032260480902
Energy: 0.8126884393381231
Energy: 0.806503466582428
Energy: 0.8070841998400862
Energy: 0.8129437909861323
Energy: 0.8366648067316055
Energy: 0.7994299599330267
Energy: 0.7994310463942358
Energy: 0.8047628613323057
Energy: 0.7996165613733928
Energy: 0.7998674922165614
Energy: 0.8434496388740185
Energy: 0.8148828925890987
Energy: 0.8126261495779159
Energy: 0.8063693523023996
Energy: 0.8018777276574509
Energy: 0.8100889956003012
Energy: 0.8588584255678395
Energy: 0.8058573121841521
Energy: 0.8053392384792104
Energy: 0.8033280033597751
Energy: 0.8081666909657322
Energy: 0.8067489348764428
Energy: 0.8587341096517095
Energy: 0.8075731836722156
Energy: 0.814222267749116
Energy: 0.8043453895082254
Energy: 0.8093855303403147
Energy: 0.8144683770617993
Energy: 0.8388851510164661
Energy: 0.8330866809822391
Energy: 0.8118945242370785
Energy: 0.794754177107856
Energy: 0.8336172690335062
Energy: 0.802336637546654
Energy: 0.8938012305100252
Energy: 0.7990400547558798
Energy: 0.799055254235896
Energy: 0.8156007730343462
Energy: 0.7998013798071517
Energy: 0.8102611797239767
Energy: 0.8593442038861315
Energy: 0.8060212612881621
Energy: 0.8064881454467939
Energy: 0.7981331895182783
Energy: 0.8078709066065293
Energy: 0.8084723019232545
Energy: 0.8464392292875386
Energy: 0.8078558815910475
Energy: 0.8072207151451086
Energy: 0.7988195068365114
Energy: 0.8086454069507972
Energy: 0.8081659175979472
Energy: 0.830873584739229
Energy: 0.7984446397499418
Energy: 0.7998518854504083
Energy: 0.8149287804070491
Energy: 0.7992778753789449
Energy: 0.8092271794966976
Energy: 0.8442290539698164
Energy: 0.8131924605318778
Energy: 0.8125247359381809
Energy: 0.8103604083089411
Energy: 0.8150318735917645
Energy: 0.8115396868275246
Energy: 0.8367591922948362
Energy: 0.8042812977525597
Energy: 0.806193747548395
Energy: 0.8174218677696918
Energy: 0.8039183817205562
Energy: 0.8103779590787943
Energy: 0.8459025698700372
Energy: 0.8061474270131439
Energy: 0.8061371091160602
Energy: 0.8149802785240263
Energy: 0.8073087823107143
Energy: 0.8105965258578486
Energy: 0.8241499110885243
Energy: 0.8119362162648331
Energy: 0.8094038841763195
Energy: 0.8130749136223727
Energy: 0.7987682424214165
Energy: 0.8081135510813974
Energy: 0.8176639684069447
Energy: 0.8138280927304411
Energy: 0.8112062565299331
Energy: 0.8080012760527658
Energy: 0.8181284162518154
Energy: 0.8101324366205359
Energy: 0.829136179605659
Energy: 0.7952697167620306
Energy: 0.7957466900496278
Energy: 0.7962281740105003
Energy: 0.796647032750946
Energy: 0.8030890128576293
Energy: 0.8588431018473016
Energy: 0.7942556115746755
Energy: 0.8035463126191882
Energy: 0.8043192755438535
Energy: 0.7975270028994947
Energy: 0.8098860808657578
Energy: 0.8425412477099055
Energy: 0.8008957353743746
Energy: 0.813332622633093
Energy: 0.8053212664973295
Energy: 0.8045428327883396
Energy: 0.8083137446582461
Energy: 0.8388935015844167
Energy: 0.8063581088352264
Energy: 0.8114533502090525
Energy: 0.8057924408124023
Energy: 0.7954905781663199
Energy: 0.8120348934326772
Energy: 0.8588555776028467
Energy: 0.809541729904842
Energy: 0.8083952347524302
Energy: 0.8032188624240286
Energy: 0.8055751353594701
Energy: 0.8089309122987817
Energy: 0.8597339840340358
Energy: 0.8087113908943672
Energy: 0.8092034601365321
Energy: 0.7990510453459742
Energy: 0.8083099017853983
Energy: 0.8096779895647641
Energy: 0.8383395315941341
Energy: 0.8432405360986105
Energy: 0.8119592349028892
Energy: 0.7980930680340488
Energy: 0.8082223046013998
Energy: 0.8108541537933208

minimum gb energy = 0.7774186394889827 eV
minimum distance =  2.33773953059566 Angstroms
sigma value = 33


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

Energy: 0.015381949284359145
Energy: 0.8083134091310527
Energy: 0.045575835241505464
Energy: 0.016988855857803433
Energy: 0.8090440130518981
Energy: 0.01598808728445441
Energy: 0.37954640886937213
Energy: 0.10144777209453666
Energy: 0.0990162917228915
Energy: 0.10191433182491917
Energy: 0.10126166988652455
Energy: 0.10299757221766194
Energy: 1.0892330006821274
Energy: 0.811417597530845
Energy: 0.806713022581802
Energy: 0.8169133029805017
Energy: 0.8085767528971602
Energy: 0.8094896913579324
Energy: 0.016737055646451008
Energy: 0.10144777209409309
Energy: 0.09901629172333508
Energy: 0.1019143318253381
Energy: 0.10126166988738707
Energy: 0.10299757221810552

minimum gb energy = 0.015381949284359145 eV
minimum distance =  2.52278333721384 Angstroms
sigma value = 1