Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
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=3.615000136196613
cohesive_energy=3.540278378030674
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=[1.450064382191406e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.535649898489619e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-17, -2.8789511936346e-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: 0.013653325442151776
Energy: 0.42597210884570713
Energy: 0.014127650931959602
Energy: 0.013855178356267282
Energy: 0.4258922174185541
Energy: 0.01400984158485852
Energy: 0.4259721088459859
Energy: 0.09808380948711234
Energy: 0.09950521478829201
Energy: 0.09816575725487929
Energy: 0.09817291491440047
Energy: 0.09930698309024232
Energy: 0.014127650932586815
Energy: 0.09950521478829201
Energy: 0.09912702231585006
Energy: 0.014156122296641123
Energy: 0.09818840058984583
Energy: 0.09882060523999917
Energy: 0.013855178356267282
Energy: 0.09816575725731846
Energy: 0.01415612229695473
Energy: 0.013936608502138417
Energy: 0.09813501100803368
Energy: 0.014031876254270376
Energy: 0.4258922174176482
Energy: 0.09817291491408688
Energy: 0.09818840059043821
Energy: 0.09813501100709285
Energy: 0.09814412544098822
Energy: 0.09805392386071969
Energy: 0.01400984158545089
Energy: 0.09930698309024232
Energy: 0.09882060524369275
Energy: 0.014031876254270376
Energy: 0.0980539238610333
Energy: 0.01409695481548525

minimum gb energy = 0.013653325442151776 eV
minimum distance =  2.5523642802492 Angstroms
sigma value = 1


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

Energy: 1.1985948414683179
Energy: 0.7745721894767972
Energy: 0.8025969840283325
Energy: 0.7307463341216969
Energy: 1.1323331145437645
Energy: 0.8026749306474779
Energy: 1.081656975653766
Energy: 0.7424765346124147
Energy: 0.7484516597920814
Energy: 0.7451140641487594
Energy: 0.7491022359626551
Energy: 0.7576233970056907
Energy: 0.7672601708307548
Energy: 0.7480711014109928
Energy: 0.7601352006670546
Energy: 0.7624090691283876
Energy: 0.7478234877942221
Energy: 0.7475063180750392
Energy: 1.1939579754623653
Energy: 0.7487793757183655
Energy: 0.7520701993261019
Energy: 0.7482628220035701
Energy: 0.7476381652666496
Energy: 0.7534414596798666
Energy: 1.0820377079137495
Energy: 0.7564046175383553
Energy: 0.7561108074359963
Energy: 0.7441904795790788
Energy: 0.7573709348179175
Energy: 0.7549156269751177
Energy: 1.0785022862610236
Energy: 0.7671554080539076
Energy: 0.759401102403525
Energy: 0.7410509581253545
Energy: 0.7605481666546047
Energy: 0.7603659765702602
Energy: 1.0805001968318764
Energy: 0.760852206949812
Energy: 0.7612657899810642
Energy: 0.7506490640061794
Energy: 0.7533029807939348
Energy: 0.7600362383051988
Energy: 1.0395808565177027
Energy: 0.7603832824878252
Energy: 0.761260541033121
Energy: 0.7075159760301412
Energy: 0.7597967618071109
Energy: 0.761309097387296
Energy: 0.8778434419578689
Energy: 0.7530972847952359
Energy: 0.7511568192325944
Energy: 0.7603492873190535
Energy: 0.7517624031025285
Energy: 0.7581627790678092
Energy: 0.8723709805586736
Energy: 0.7579321192933728
Energy: 0.7564676237607516
Energy: 0.7482414212055076
Energy: 0.7446428956354929
Energy: 0.7567066050075965
Energy: 0.8650628413927691
Energy: 0.747632701331308
Energy: 0.7462742033610775
Energy: 0.7818195955802703
Energy: 0.7468732694725286
Energy: 0.7508768005272745
Energy: 0.7813844572942298
Energy: 0.7561197628081192
Energy: 0.7492053577945359
Energy: 0.7472291164906915
Energy: 0.760823124257672
Energy: 0.7548639798278884
Energy: 0.7805179118257458
Energy: 0.7454155129789225
Energy: 0.745417421015738
Energy: 0.7556550151122382
Energy: 0.758295840061846
Energy: 0.7582502180856691
Energy: 0.8426210133132055
Energy: 0.7457918335528907
Energy: 0.752293211406901
Energy: 0.7614304455679741
Energy: 0.7471060339592863
Energy: 0.7458568473128713
Energy: 0.8094051054856971
Energy: 0.7443112919661461
Energy: 0.7549797676756849
Energy: 0.7656617982215926
Energy: 0.7438881484501231
Energy: 0.7492890277567787
Energy: 0.813387255657049
Energy: 0.7540252788947509
Energy: 0.7475160904993267
Energy: 0.7626392358754966
Energy: 0.7644794821665324
Energy: 0.7552981008148926
Energy: 1.0001931372249795
Energy: 0.7589437133606012
Energy: 0.7589250327534969
Energy: 0.7417347035246616
Energy: 0.7588467319183464
Energy: 0.7554400587105179
Energy: 0.975213474647673
Energy: 0.7659882523402761
Energy: 0.7641765587683057
Energy: 0.7622066018305953
Energy: 0.7448754610223365
Energy: 0.7640213959385133
Energy: 0.9771105768988475
Energy: 0.7637970950714627
Energy: 0.7643120765713747
Energy: 0.7477773665712889
Energy: 0.763159973967335
Energy: 0.7636304776047332
Energy: 1.0330564325537088
Energy: 0.7637935186771719
Energy: 0.764460504646103
Energy: 0.7456432081563306
Energy: 0.7548967770753353
Energy: 0.763623679114406
Energy: 1.1259340175325934
Energy: 0.7510866370287557
Energy: 0.7471131432780583
Energy: 0.7466538293582966
Energy: 0.7416179582640969
Energy: 0.7488448067147648
Energy: 1.1288592912467472
Energy: 0.766343359553887
Energy: 0.7612308411088299
Energy: 0.7610603307988414
Energy: 0.7656106350336037
Energy: 0.7482248971263256
Energy: 1.120986233518212
Energy: 0.7514167910538357
Energy: 0.756853724787915
Energy: 0.7516280315826173
Energy: 0.743284050462113
Energy: 0.7566505492057971

minimum gb energy = 0.7075159760301412 eV
minimum distance =  2.37053934140605 Angstroms
sigma value = 33


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

Energy: 1.4161061198841043
Energy: 0.8450651036048525
Energy: 0.79642059711145
Energy: 0.795551570360891
Energy: 0.798472561203925
Energy: 0.7960238299265808
Energy: 1.0310692659235465
Energy: 0.8030183833689585
Energy: 0.7673713717176879
Energy: 0.7870866746578452
Energy: 0.8037266754314943
Energy: 0.7602421331747532
Energy: 1.0410838700362586
Energy: 0.8029601029807918
Energy: 0.784687039143668
Energy: 0.7810850632629545
Energy: 0.8030946348555433
Energy: 0.8041371416786209
Energy: 1.1290762924677136
Energy: 0.7928965669848616
Energy: 0.7968099217685435
Energy: 0.7718900235846805
Energy: 0.8078393688535944
Energy: 0.7681030703498817
Energy: 1.029109594518809
Energy: 0.8070991781982091
Energy: 0.8066959434771958
Energy: 0.7617711985235279
Energy: 0.8012323655985966
Energy: 0.8021667246568356
Energy: 1.1159536749436954
Energy: 0.8052312626541647
Energy: 0.7902661693514657
Energy: 0.7758234963042768
Energy: 0.8070880902806798
Energy: 0.7892616002763886
Energy: 1.1152462062525175
Energy: 0.7707936896672822
Energy: 0.7630092716431478
Energy: 0.7674484649621779
Energy: 0.7696088239847224
Energy: 0.7628091072843473
Energy: 1.000581095134876
Energy: 0.7886830694824336
Energy: 0.7929387338194441
Energy: 0.7937750479253851
Energy: 0.7887985660340734
Energy: 0.7945949160810412
Energy: 0.8912736375502441
Energy: 0.7892360822201809
Energy: 0.7941367342830494
Energy: 0.8061254556283944
Energy: 0.784012501052668
Energy: 0.7960706326760956
Energy: 0.8909089993478276
Energy: 0.7912057742556848
Energy: 0.7935594803384705
Energy: 0.7657345658603611
Energy: 0.7913537478121854
Energy: 0.7775372317692915
Energy: 0.8908902030646209
Energy: 0.7419094791130368
Energy: 0.7417121288581714
Energy: 0.7893263450968244
Energy: 0.7419215020175456
Energy: 0.7416167612559811
Energy: 0.8136966772845469
Energy: 0.7843058203414555
Energy: 0.7701779738998344
Energy: 0.7803095381106026
Energy: 0.7832677944400962
Energy: 0.7702927750499479
Energy: 0.8121902681503265
Energy: 0.7893391639865216
Energy: 0.7878967821812555
Energy: 0.7931705371147117
Energy: 0.7722263839208859
Energy: 0.7906871291081594
Energy: 0.8710336485996075
Energy: 0.7729204728027754
Energy: 0.7667584510784398
Energy: 0.7758542935329203
Energy: 0.7721470441581862
Energy: 0.7605489557374427
Energy: 0.8908346254567078
Energy: 0.7854875486018915
Energy: 0.7856020485945404
Energy: 0.7862515177036616
Energy: 0.7854450175419491
Energy: 0.7704615100227148
Energy: 0.889641436150917
Energy: 0.7689560279089017
Energy: 0.785540237019064
Energy: 0.7850508471209529
Energy: 0.8066548851784514
Energy: 0.7852100372056847
Energy: 1.0913216401225845
Energy: 0.7694644435025522
Energy: 0.7695049369413575
Energy: 0.7735307245064491
Energy: 0.7701383618507274
Energy: 0.7696691651423654
Energy: 0.9867394924275064
Energy: 0.7956114101110592
Energy: 0.7964238266281464
Energy: 0.7886306167197342
Energy: 0.7929110395097709
Energy: 0.793420952882794
Energy: 0.9886310554296367
Energy: 0.7958841412230118
Energy: 0.8004288994440493
Energy: 0.7889846901871981
Energy: 0.796019356749367
Energy: 0.7955986081605843
Energy: 1.0607671558395377
Energy: 0.7965324904921862
Energy: 0.7960985581262415
Energy: 0.7870361472080316
Energy: 0.7910425187185184
Energy: 0.791392884297301
Energy: 1.223182602126192
Energy: 0.7790299226813149
Energy: 0.7416960230211427
Energy: 0.7415762828671618
Energy: 0.7772592992072084
Energy: 0.7414663203419907
Energy: 0.9376130776968161
Energy: 0.7651316583494283
Energy: 0.7774827567770725
Energy: 0.7835684279683831
Energy: 0.7812876839962346
Energy: 0.7772223866898171
Energy: 1.0464904114905071
Energy: 0.7902986091648986
Energy: 0.7706821115735216
Energy: 0.7692850870305566
Energy: 0.7867906795188938
Energy: 0.7969500339621874
Energy: 1.1334584008502278
Energy: 0.804238385275109
Energy: 0.7747714242010583
Energy: 0.7662972579459072
Energy: 0.788216772985686
Energy: 0.7746432073738533
Energy: 1.0568210606648567
Energy: 0.7903100885620598
Energy: 0.7776436387999935
Energy: 0.7693054643261119
Energy: 0.7909695461525019
Energy: 0.7888515786061808
Energy: 1.0271662996884687
Energy: 0.7848602149204571
Energy: 0.7699443980337304
Energy: 0.7943550663312137
Energy: 0.8026613569738447
Energy: 0.7668046279275382
Energy: 1.1146965535059148
Energy: 0.763278632125231
Energy: 0.76653708288741
Energy: 0.7663969744418687
Energy: 0.7647481104572372
Energy: 0.7662485171010797
Energy: 1.027854922144288
Energy: 0.7925090623113991
Energy: 0.7933199856554308
Energy: 0.7940735054290665
Energy: 0.7886088232105366
Energy: 0.7846401138631299
Energy: 0.8903781146475415
Energy: 0.7885387886766049
Energy: 0.7953875306128949
Energy: 0.7997028547235819
Energy: 0.7888603986943249
Energy: 0.7878425618931374
Energy: 0.892373154565092
Energy: 0.7896167722453774
Energy: 0.7927135209321554
Energy: 0.7886440769331999
Energy: 0.7900964605396815
Energy: 0.7769141221191462
Energy: 0.8869465017035836
Energy: 0.7413110983552472
Energy: 0.7413066079077197
Energy: 0.7780310705037311
Energy: 0.7416699583671785
Energy: 0.7415243907716559
Energy: 0.8134650473040866
Energy: 0.7589816205350483
Energy: 0.7400003888047725
Energy: 0.7867260733208329
Energy: 0.7848312846768147
Energy: 0.7752721423961546
Energy: 0.8155168083916842
Energy: 0.7834667843883798
Energy: 0.7786593433223815
Energy: 0.7956570686321586
Energy: 0.7623179810169882
Energy: 0.775715825959291
Energy: 0.8144428959597599
Energy: 0.7670641256192141
Energy: 0.7675904163178559
Energy: 0.7836668427282233
Energy: 0.7720672423926237
Energy: 0.7622026274976965
Energy: 0.890938378129698
Energy: 0.7837085647950863
Energy: 0.7837881766985659
Energy: 0.7878604713234019
Energy: 0.7623004162035193
Energy: 0.7662420674183867
Energy: 0.8884655238596698
Energy: 0.7861766672387253
Energy: 0.7862133248966577
Energy: 0.8062613598986906
Energy: 0.8000769635281401
Energy: 0.7873858633154703
Energy: 0.8909351048447895
Energy: 0.7854815773715942
Energy: 0.7859800766823253
Energy: 0.7722089055454071
Energy: 0.7854626612246767
Energy: 0.7905281520995449
Energy: 0.9847645276879127
Energy: 0.8036217159037137
Energy: 0.8025592020387495
Energy: 0.7826076519683434
Energy: 0.8089439208001191
Energy: 0.8069078802463638
Energy: 0.9855786773282865
Energy: 0.8135793918011852
Energy: 0.8112398238149742
Energy: 0.7884621567375466
Energy: 0.8125595295354463
Energy: 0.7937361749374222
Energy: 1.0290876137626126
Energy: 0.8153133422210191
Energy: 0.805642639892217
Energy: 0.7999391895015032
Energy: 0.8164157100552808
Energy: 0.7909519993014691
Energy: 1.2010054292089614
Energy: 0.7601436314662723
Energy: 0.7558818937137912
Energy: 0.757515699483266
Energy: 0.762680513678957
Energy: 0.7559838149485244

minimum gb energy = 0.7400003888047725 eV
minimum distance =  2.35338726257504 Angstroms
sigma value = 51


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

Energy: 1.2432396978625098
Energy: 0.8148763407706372
Energy: 0.7780032175762108
Energy: 0.7756308070984026
Energy: 0.7647686390265523
Energy: 0.8232236295366867
Energy: 0.949648143465496
Energy: 0.8021682032001883
Energy: 0.7896133901354084
Energy: 0.7547744345418431
Energy: 0.8019299770531257
Energy: 0.774909464380274
Energy: 1.1195343314506827
Energy: 0.802303328626106
Energy: 0.7747091597663934
Energy: 0.7750438484450154
Energy: 0.8026838356785725
Energy: 0.7986022182706425
Energy: 1.1157512020758533
Energy: 0.7753302400591234
Energy: 0.7755255915090496
Energy: 0.7859822892453731
Energy: 0.7755384796121607
Energy: 0.7864180059183009
Energy: 0.9516157778118645
Energy: 0.8087816713030864
Energy: 0.8079776711639123
Energy: 0.7691902002069793
Energy: 0.7981329688245928
Energy: 0.8072848183920546
Energy: 0.9509217075292801
Energy: 0.807232666315176
Energy: 0.8073496209925326
Energy: 0.7982299170551751
Energy: 0.8066201566927835
Energy: 0.8071854006085811
Energy: 0.9511223931131322
Energy: 0.7688512265039268
Energy: 0.7682650841225197
Energy: 0.7980865276132906
Energy: 0.7550234554268994
Energy: 0.8067206940299126
Energy: 0.9368971940098908
Energy: 0.7742284322229193
Energy: 0.7747781793922125
Energy: 0.7921001389321997
Energy: 0.7738578804002695
Energy: 0.7746253320264406
Energy: 0.8030590439958051
Energy: 0.7783649033578167
Energy: 0.7790838599042145
Energy: 0.8028496152473588
Energy: 0.7792815044747687
Energy: 0.7953611632946791
Energy: 0.8020501625549462
Energy: 0.7783114386674185
Energy: 0.776743134180771
Energy: 0.8021699129452302
Energy: 0.7788873524231866
Energy: 0.7894350922859347
Energy: 0.8202113404701507
Energy: 0.7754334035014897
Energy: 0.7741981279889577
Energy: 0.780821028686976
Energy: 0.7777890808655078
Energy: 0.7749882021823672
Energy: 0.8374993699991335
Energy: 0.7788542985610993
Energy: 0.7787427783602993
Energy: 0.7854462808142496
Energy: 0.775752116326674
Energy: 0.808648566532765
Energy: 0.8371717686608581
Energy: 0.7864452144307772
Energy: 0.7960953301647233
Energy: 0.8061728305239815
Energy: 0.778086877894426
Energy: 0.795889010224581
Energy: 0.8381938940208126
Energy: 0.7884808023844108
Energy: 0.7884151039514496
Energy: 0.7752831248700015
Energy: 0.7883578232867434
Energy: 0.7884840488154238
Energy: 1.0164754589109406
Energy: 0.7785477072005442
Energy: 0.7777672675233686
Energy: 0.7888570245167724
Energy: 0.7871185853737375
Energy: 0.7780135063658514
Energy: 1.0182654224625862
Energy: 0.8090985403314651
Energy: 0.7881504708460303
Energy: 0.7909578817096712
Energy: 0.8089005386154197
Energy: 0.7920513650298672
Energy: 1.025625801266409
Energy: 0.8082265317115545
Energy: 0.8074843041202091
Energy: 0.8063905111693119
Energy: 0.8084763829291596
Energy: 0.7960829428361058
Energy: 1.2111984513524696
Energy: 0.7864068263433266
Energy: 0.7920107563482539
Energy: 0.7732009358952939
Energy: 0.7860815469402401
Energy: 0.7775878118793433

minimum gb energy = 0.7547744345418431 eV
minimum distance =  2.37043718711291 Angstroms
sigma value = 19


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

Energy: 1.0504024002069179
Energy: 0.7904060987536347
Energy: 0.7689648248288926
Energy: 0.8491351194409642
Energy: 0.7476596445102616
Energy: 0.7682144104517317
Energy: 0.8967470243242404
Energy: 0.7478882640033945
Energy: 0.7477983562349049
Energy: 0.7757777422034509
Energy: 0.7477211500880592
Energy: 0.7478395119377186
Energy: 0.8947143281436678
Energy: 0.7480266157509903
Energy: 0.747972660446367
Energy: 0.7811656889723785
Energy: 0.7479613847536845
Energy: 0.747766682488822
Energy: 0.8902217066297379
Energy: 0.7481749111605351
Energy: 0.7476656856586592
Energy: 0.7714992131192392
Energy: 0.7475121517078976
Energy: 0.7477945698463482
Energy: 0.8965966373334029
Energy: 0.7477701248927521
Energy: 0.7750632104400687
Energy: 0.7760202113782723
Energy: 0.747645899887717
Energy: 0.7754876162594807
Energy: 0.8968782275458267
Energy: 0.726763486939243
Energy: 0.7744864624005883
Energy: 0.7765620047681273
Energy: 0.7267759307732751
Energy: 0.7751684895490576
Energy: 0.8964146754236949
Energy: 0.7752412002279819
Energy: 0.7749568869422538
Energy: 0.7765461503350992
Energy: 0.7343291588178577
Energy: 0.7759700209445036
Energy: 0.8423080232429444
Energy: 0.7348372626694656
Energy: 0.7345180422377181
Energy: 0.7484512208581384
Energy: 0.7438499609908388
Energy: 0.7277685913827807
Energy: 0.7478512287481189
Energy: 0.7351875728364653
Energy: 0.7274777965575983
Energy: 0.7478538698785285
Energy: 0.7346085601551414
Energy: 0.7267862703280055
Energy: 0.7488662351642824
Energy: 0.7483650399442926
Energy: 0.7479625454763301
Energy: 0.7480083834036912
Energy: 0.7809232070098487
Energy: 0.7478755169066801
Energy: 0.7461735523241245
Energy: 0.7720441422597928
Energy: 0.7724192329434972
Energy: 0.7471437119174483
Energy: 0.7728055640642348
Energy: 0.7476254242009605
Energy: 0.895167521306881
Energy: 0.776689675774079
Energy: 0.7745666900365177
Energy: 0.747440781359095
Energy: 0.7807919200999595
Energy: 0.7476572341557579
Energy: 0.7265561427647603
Energy: 0.7756794265177843
Energy: 0.7758665207445732
Energy: 0.7288388297653985
Energy: 0.7765247515358129
Energy: 0.7761166273162442
Energy: 0.8960720455402634
Energy: 0.7755455205696761
Energy: 0.7755812279067884
Energy: 0.7478368721805081
Energy: 0.7755593956993136
Energy: 0.77538358320127
Energy: 1.0552223396867488
Energy: 0.7478283547578201
Energy: 0.7479103604929387
Energy: 0.7347559353295098
Energy: 0.7476671550972723
Energy: 0.7272350635696976
Energy: 1.0523037787214038
Energy: 0.7495821012429145
Energy: 0.7282145691322283
Energy: 0.7287881589878599
Energy: 0.7479782239413579
Energy: 0.7343985397568045
Energy: 0.8967621780445667
Energy: 0.7478290479798223
Energy: 0.7478873415945647
Energy: 0.7755860422204527
Energy: 0.7479193993305085
Energy: 0.7479122697256413
Energy: 0.8915259018060798
Energy: 0.7477137350473948
Energy: 0.7478223720331985
Energy: 0.7714966215829342
Energy: 0.7477910849025066
Energy: 0.7478311008494393
Energy: 0.8887169367321357
Energy: 0.7480662947073233
Energy: 0.7479574057611726
Energy: 0.7715631390108226
Energy: 0.7480426028435201
Energy: 0.7479703705641648
Energy: 0.8960669607250448
Energy: 0.7267194835989083
Energy: 0.7755447131232102
Energy: 0.7751525241104685
Energy: 0.7265769005463087
Energy: 0.7740975804306724
Energy: 0.8923269086066901
Energy: 0.7749332050064561
Energy: 0.7750465269461454
Energy: 0.7766581842833998
Energy: 0.7477438265861642
Energy: 0.7753956806316367
Energy: 0.8957717071304243
Energy: 0.7752962495420915
Energy: 0.7748713801405078
Energy: 0.7748958519842973
Energy: 0.7345576341691956
Energy: 0.7747504941973683
Energy: 0.8441951592420465
Energy: 0.7287411472192444
Energy: 0.7280303160396779
Energy: 0.8444361922495743
Energy: 0.727840288882643
Energy: 0.7269458974154961
Energy: 0.7478043491529549
Energy: 0.7489212865075175
Energy: 0.7480077539290295
Energy: 0.7476867590605564
Energy: 0.7671423155520478
Energy: 0.7478236556070825
Energy: 0.7478640961797157
Energy: 0.7574773376278182
Energy: 0.7479855260694382
Energy: 0.7480020458167619
Energy: 0.7810755115021445
Energy: 0.7478779024974334
Energy: 0.8454446623431899
Energy: 0.7719680238674873
Energy: 0.7728849206798015
Energy: 0.8451264435651318
Energy: 0.7715113360359135
Energy: 0.7476618391864058
Energy: 0.8957675797561071
Energy: 0.7750986027272169
Energy: 0.7753841757503831
Energy: 0.747743310904154
Energy: 0.7765952964112918
Energy: 0.7751289171495039
Energy: 0.7266091831270849
Energy: 0.7766052142931844
Energy: 0.7755798677572169
Energy: 0.7267148689800071
Energy: 0.7766211205724306
Energy: 0.7739627501053649
Energy: 0.8447893249004851
Energy: 0.776351896508778
Energy: 0.7757793431525346
Energy: 0.7348033279826833
Energy: 0.7767604530700413
Energy: 0.7754673991389821
Energy: 1.0538251297500767
Energy: 0.7481527579979345
Energy: 0.7267437431802631
Energy: 0.741914367304163
Energy: 0.747953363330976
Energy: 0.7355522150669009

minimum gb energy = 0.7265561427647603 eV
minimum distance =  2.39968830528512 Angstroms
sigma value = 27


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

Energy: 0.8964688820209342
Energy: 0.720847120577938
Energy: 0.8985122842692914
Energy: 0.7541749805262727
Energy: 0.7205684467358257
Energy: 0.7905703944765863
Energy: 0.8767263744886907
Energy: 0.7524947008101449
Energy: 0.7035835404787896
Energy: 0.7084736476386176
Energy: 0.7524000614958346
Energy: 0.6724758574350554
Energy: 0.8031255024632313
Energy: 0.7533563627677834
Energy: 0.7034173827018287
Energy: 0.6727416304609467
Energy: 0.7535614410572886
Energy: 0.7053301947676255
Energy: 0.8043470908574798
Energy: 0.704456197120997
Energy: 0.7052036739399852
Energy: 0.6959066162261535
Energy: 0.7202184870419385
Energy: 0.7032837042006562
Energy: 0.8770711898918021
Energy: 0.6843350019803928
Energy: 0.6939138246817105
Energy: 0.7535478051756354
Energy: 0.6871371649209935
Energy: 0.6951252647160646
Energy: 0.752497941887886
Energy: 0.6851933727897742
Energy: 0.6841610258303703
Energy: 0.7525228208458533
Energy: 0.6887372474071854
Energy: 0.6838661443426507
Energy: 0.7535756796862105
Energy: 0.6950672090860619
Energy: 0.6941013523128149
Energy: 0.7538396472011614
Energy: 0.7076955756181187
Energy: 0.7044011921191
Energy: 0.753374084576676
Energy: 0.690576907487688
Energy: 0.6907243073836686
Energy: 0.7535539196076432
Energy: 0.6903992147059258
Energy: 0.6911837261831335
Energy: 0.8031793733759897
Energy: 0.6900635001790052
Energy: 0.672212028926613
Energy: 0.7527209574032383
Energy: 0.6906725146213789
Energy: 0.7031052763736662
Energy: 0.7021360453777812
Energy: 0.7255598168657887
Energy: 0.7256438873171962
Energy: 0.7399439952523154
Energy: 0.6954402146024797
Energy: 0.7341809913333275
Energy: 0.8034051773711397
Energy: 0.7413104983551484
Energy: 0.7392058667245247
Energy: 0.7047735482825566
Energy: 0.7410552760099692
Energy: 0.738164509258212
Energy: 0.7856866321620056
Energy: 0.7035504377045412
Energy: 0.7030871160095059
Energy: 0.7087504704766143
Energy: 0.7534417273679442
Energy: 0.6724223619728797

minimum gb energy = 0.672212028926613 eV
minimum distance =  2.41790938548877 Angstroms
sigma value = 9


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

Energy: 1.4935389371332863
Energy: 0.7115197776620393
Energy: 0.6254834795205652
Energy: 0.6503461862551857
Energy: 0.7118841320974422
Energy: 0.6543268934367066
Energy: 0.6863829838627594
Energy: 0.6530544495711966
Energy: 0.6482584396532766
Energy: 0.6345279210360172
Energy: 0.6528135473281639
Energy: 0.636072460026675
Energy: 0.6850550839042542
Energy: 0.6530915673070888
Energy: 0.6532916058640118
Energy: 0.6511026066151095
Energy: 0.6540057296809331
Energy: 0.6472119186650505
Energy: 0.6876382334243281
Energy: 0.6151175109227899
Energy: 0.6146970005113432
Energy: 0.6484869478109937
Energy: 0.6606440455292755
Energy: 0.6146336307685385
Energy: 0.7256297248683499
Energy: 0.6337433439350165
Energy: 0.6655722968643478
Energy: 0.6629254606815467
Energy: 0.6334052502162646
Energy: 0.6447858900707186
Energy: 0.6634536480933447
Energy: 0.627928727573281
Energy: 0.6647531981963073
Energy: 0.6635435912612812
Energy: 0.6342266473847965
Energy: 0.6365968677606479
Energy: 0.663196137675743
Energy: 0.6152844098372255
Energy: 0.6145694372113213
Energy: 0.6642756055118547
Energy: 0.6348178606910996
Energy: 0.668826239464767
Energy: 0.6654138295967106
Energy: 0.6413659806680196
Energy: 0.6473793269684966
Energy: 0.6629846914515107
Energy: 0.6414652023112224
Energy: 0.6329068719976985
Energy: 0.7858122377349166
Energy: 0.6476369443409141
Energy: 0.6695175892982501
Energy: 0.6678568118734173
Energy: 0.6514776302211037
Energy: 0.6528994683193203
Energy: 0.6351865194646323
Energy: 0.6159406210008526
Energy: 0.6178012755989147
Energy: 0.6334532034694149
Energy: 0.6562874462499555
Energy: 0.6150336181966577
Energy: 0.628527821300727
Energy: 0.6633528038467185
Energy: 0.6684045989232453
Energy: 0.6431511214902623
Energy: 0.6633254525361104
Energy: 0.66596659550543
Energy: 0.7994490487365769
Energy: 0.6638068068151085
Energy: 0.6638224165544412
Energy: 0.6258818176826552
Energy: 0.6638193856701359
Energy: 0.6453053728754047
Energy: 0.9138116615223505
Energy: 0.7915255946407922
Energy: 0.6129032346671597
Energy: 0.6168809739267577
Energy: 0.6494718970913819
Energy: 0.6162247362469987
Energy: 0.7958071434893891
Energy: 0.6636345366566345
Energy: 0.6444238156025468
Energy: 0.6259478643211069
Energy: 0.6631748592281584
Energy: 0.6455407751646771
Energy: 0.6531697407113859
Energy: 0.64595957319858
Energy: 0.6458262082004285
Energy: 0.6532437670128324
Energy: 0.6476571347248775
Energy: 0.6881642945244493
Energy: 0.6533324828595845
Energy: 0.6351317580541862
Energy: 0.6522738845648081
Energy: 0.6539178953357446
Energy: 0.6507731335478295
Energy: 0.6468348679050464
Energy: 0.6519595511005101
Energy: 0.6245739232733061
Energy: 0.6435844660918378
Energy: 0.6518072871235733
Energy: 0.6246745319804532
Energy: 0.6357927017947629
Energy: 0.6860635833638482
Energy: 0.6141588528496911
Energy: 0.643222346734372
Energy: 0.6513778236985582
Energy: 0.6424842402739157
Energy: 0.6463745360553814
Energy: 0.6854588929492306
Energy: 0.6328932195374467
Energy: 0.6331590067903433
Energy: 0.6524255732454075
Energy: 0.6430290666992162
Energy: 0.6299527244975389
Energy: 0.6849129182104035
Energy: 0.643083771220381
Energy: 0.6353283245944223
Energy: 0.642125657324182
Energy: 0.64215910291528
Energy: 0.638209119745393
Energy: 0.6849429803990346
Energy: 0.6549870063784721
Energy: 0.6335823524692074
Energy: 0.6571119927326607
Energy: 0.6537788615388059
Energy: 0.6375485668712447
Energy: 0.726122081973487
Energy: 0.6690804283323041
Energy: 0.644004274433432
Energy: 0.6348352373816657
Energy: 0.6523188635226761
Energy: 0.6078887035306776
Energy: 0.7233582133501775
Energy: 0.6521409692346104
Energy: 0.6500469497106535
Energy: 0.6342742561787184
Energy: 0.6521785647618483
Energy: 0.6083266741724663
Energy: 0.6846229225062975
Energy: 0.6556911598916548
Energy: 0.6555151418512976
Energy: 0.6582624338600048
Energy: 0.6536821909732665
Energy: 0.6465969046644103
Energy: 0.9197514433648913
Energy: 0.6653854400367176
Energy: 0.6453463700511822
Energy: 0.648922741238304
Energy: 0.6545110625317413
Energy: 0.6473441606003437
Energy: 0.68411082315458
Energy: 0.6255746361757314
Energy: 0.6150781623188885
Energy: 0.6644079099146512
Energy: 0.6259698903661263
Energy: 0.6458149856987563
Energy: 0.6320053702869671
Energy: 0.642080543789115
Energy: 0.6176950886859429
Energy: 0.6322564644739465
Energy: 0.6444075791292819
Energy: 0.6415092401878486
Energy: 0.6634886676206072
Energy: 0.614915440636613
Energy: 0.6152150436659994
Energy: 0.6637135810307154
Energy: 0.6258886301247218
Energy: 0.6672976242275215
Energy: 0.6633862078970357
Energy: 0.6396085301511146
Energy: 0.6675250827828316
Energy: 0.6636371460852145
Energy: 0.640111024739678
Energy: 0.6691492563102672
Energy: 0.6692321406283614
Energy: 0.64442231067506
Energy: 0.6467396744697435
Energy: 0.6556322547786745
Energy: 0.6416892403398345
Energy: 0.6184300875065201
Energy: 0.6284921653558013
Energy: 0.6243698788425276
Energy: 0.6493067139442832
Energy: 0.6421811776172939
Energy: 0.6484876039373992
Energy: 0.6696272704776943
Energy: 0.6329301315402772
Energy: 0.663036520854999
Energy: 0.6397416621962455
Energy: 0.6333546309276405
Energy: 0.6627643338186996
Energy: 0.6152044636875473
Energy: 0.7982071180260137
Energy: 0.6637133115839612
Energy: 0.66322165384303
Energy: 0.6590468657309195
Energy: 0.6653318902017002
Energy: 0.6148417027177528
Energy: 0.6803849935058719
Energy: 0.6634416373773455
Energy: 0.6638863096517678
Energy: 0.6410499074559792
Energy: 0.663267306709734
Energy: 0.6175565276005152
Energy: 0.6770612391001515
Energy: 0.6451318461672849
Energy: 0.6469391761422509
Energy: 0.6403402277079563
Energy: 0.6629203509194465
Energy: 0.6454769449168591
Energy: 0.6793923035140633
Energy: 0.64638402711249
Energy: 0.6446623733733216
Energy: 0.653200752363084
Energy: 0.6499459492714542
Energy: 0.619996846820625
Energy: 0.6537622856687565
Energy: 0.6508115835189119
Energy: 0.6469793893015924
Energy: 0.6533562636144842
Energy: 0.6485487049077059
Energy: 0.647657923104472
Energy: 0.6520201974828311
Energy: 0.6317552818329147
Energy: 0.6315890587930606
Energy: 0.6522068434806543
Energy: 0.6371937894738564
Energy: 0.6530569008870951
Energy: 0.6816909214262051
Energy: 0.6137685376641993
Energy: 0.6140450247151256
Energy: 0.6347393460757675
Energy: 0.6142603184990061
Energy: 0.6412087705893136
Energy: 0.6845743681778832
Energy: 0.6332396443745991
Energy: 0.6317530164620622
Energy: 0.6519184552074835
Energy: 0.632495627310701
Energy: 0.6399570564499273
Energy: 0.6836668795957419
Energy: 0.6424739296997931
Energy: 0.6392252567573538
Energy: 0.6403565647942099
Energy: 0.6443610284684655
Energy: 0.6359866502981449
Energy: 0.6858353546625732
Energy: 0.6444680137129724
Energy: 0.6453413091467531
Energy: 0.6544122394846573
Energy: 0.6436549541094556
Energy: 0.6434155007100678
Energy: 0.7236426887499108
Energy: 0.6523004433708536
Energy: 0.6403481871001665
Energy: 0.6342821471560841
Energy: 0.6524542811650258
Energy: 0.6082574339527743

minimum gb energy = 0.6078887035306776 eV
minimum distance =  2.37261579622201 Angstroms
sigma value = 57


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

Energy: 0.706599695570419
Energy: 0.4883407707310412
Energy: 0.32966472710679057
Energy: 0.3275189052378883
Energy: 0.4945337162101313
Energy: 0.6660972942577088
Energy: 0.7166052051787836
Energy: 0.5171110595656344
Energy: 0.5076147906733662
Energy: 0.5176582725357842
Energy: 0.5173112629552776
Energy: 0.4891680485997905
Energy: 0.7167855800125975
Energy: 0.7891778944009251
Energy: 0.488764144073544
Energy: 0.4883677667320226
Energy: 0.48836743445608943
Energy: 0.6833149838862296
Energy: 0.7164500353140489
Energy: 0.4907056830830075
Energy: 0.5584476926232019
Energy: 0.5170232024738132
Energy: 0.6745522561128522
Energy: 0.4897406251466179
Energy: 0.717421907556266
Energy: 0.45116824332503125
Energy: 0.4493836065236809
Energy: 0.6812163481471388
Energy: 0.4518797254852752
Energy: 0.6789095036137751
Energy: 0.6876817508049695
Energy: 0.452011944072995
Energy: 0.45448233888666273
Energy: 0.500213529411147
Energy: 0.4539971904905666
Energy: 0.4314096416228636
Energy: 0.6887956503689425
Energy: 0.6727511295096643
Energy: 0.4893325133057961
Energy: 0.5063579586236745
Energy: 0.48766391795412445
Energy: 0.6769531000989049
Energy: 0.5465697573596318
Energy: 0.5559455069647471
Energy: 0.7643184974215477
Energy: 0.7058195873580715
Energy: 0.7645948598075141
Energy: 0.7182818165109898
Energy: 0.7500854350974089
Energy: 0.7264552363772006
Energy: 0.7252468117200838
Energy: 0.7040472199183753
Energy: 0.7028844989696457
Energy: 0.72872436991557
Energy: 0.583688696479973
Energy: 0.5026886478006884
Energy: 0.3297119396466732
Energy: 0.32737002389442227
Energy: 0.6870377120034206
Energy: 0.5510526349524713
Energy: 0.5788410647185805
Energy: 0.7079403111615786
Energy: 0.6940965502266034
Energy: 0.3275962726884039
Energy: 0.6880290762615434
Energy: 0.5336079256541545
Energy: 0.5583347076550772
Energy: 0.7069773708910736
Energy: 0.7113598194963657
Energy: 0.7107602918285653
Energy: 0.7034605573552604
Energy: 0.6687321094817745
Energy: 0.6984937791037098
Energy: 0.48975581596724715
Energy: 0.6742581214989043
Energy: 0.5669754097218357
Energy: 0.4910939426387926
Energy: 0.6764351777825083
Energy: 0.6979276731330103
Energy: 0.6794328780287776
Energy: 0.5175036267959122
Energy: 0.5064955955058271
Energy: 0.5484612248856067
Energy: 0.6799262140516648
Energy: 0.4900811707151455
Energy: 0.4520255017928426
Energy: 0.4548549718689261
Energy: 0.4996596808363437
Energy: 0.4519579089099757
Energy: 0.4542897868659299
Energy: 0.7013116477660939
Energy: 0.4893840844939839
Energy: 0.5107102368972318
Energy: 0.5191893782792847
Energy: 0.4531840476184997
Energy: 0.6785646240891123
Energy: 0.7029404319139351
Energy: 0.6929053023076375
Energy: 0.5018088187235031
Energy: 0.5196180433800174
Energy: 0.7077120055536029
Energy: 0.6851202788699025
Energy: 0.7164386585507759
Energy: 0.5248765400275193
Energy: 0.48920137856938734
Energy: 0.49070010159818395
Energy: 0.4889730887189663
Energy: 0.7663577832014523
Energy: 0.7077505667175367
Energy: 0.5169460094115221
Energy: 0.505430429392668
Energy: 0.3275130003461459
Energy: 0.5191563662345617
Energy: 0.49005754611071384

minimum gb energy = 0.32737002389442227 eV
minimum distance =  2.36974876284665 Angstroms
sigma value = 11


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

Energy: 1.011815106661558
Energy: 0.5297297555604252
Energy: 0.6331705917152158
Energy: 0.5566934806997873
Energy: 0.5314292905441639
Energy: 0.627776016725789
Energy: 0.5246798827907931
Energy: 0.5352521245557046
Energy: 0.5358981091536925
Energy: 0.5342874146978522
Energy: 0.5280009716028261
Energy: 0.5313869697243747
Energy: 0.5270189626464673
Energy: 0.532315384264432
Energy: 0.5339553084796179
Energy: 0.5276101071515639
Energy: 0.5321633132214717
Energy: 0.5247810679903158
Energy: 0.5268590525625061
Energy: 0.5388525793163172
Energy: 0.5397027571922233
Energy: 0.5275336161294566
Energy: 0.5254031727479567
Energy: 0.5303022564121167
Energy: 0.5247534850360798
Energy: 0.6170139543689858
Energy: 0.5763778381100164
Energy: 0.5441378795740925
Energy: 0.53521072044413
Energy: 0.5303925366898923
Energy: 0.5655056588664702
Energy: 0.5776773283912353
Energy: 0.5806762637653329
Energy: 0.5355565391784303
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Energy: 0.5678929791501452
Energy: 0.5649162820910226
Energy: 0.5271279001152477
Energy: 0.531208934748805
Energy: 0.5250199450860915
Energy: 0.5335475402798658
Energy: 0.5254781532996351
Energy: 0.5392979797140764
Energy: 0.5382395473158036
Energy: 0.5406964126792235
Energy: 0.5381677071955935
Energy: 0.5376376235894224
Energy: 0.5380834219164218
Energy: 0.5654777001484828
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Energy: 0.5225034417041261
Energy: 0.5408431398612706
Energy: 0.5250952413464655
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Energy: 0.7327799814753515
Energy: 0.5662451877620601
Energy: 0.5668820100110367
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Energy: 0.5334613059472821
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Energy: 0.5765458119877418
Energy: 0.6507260889113945
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Energy: 0.5427915860384815
Energy: 0.5411150783359845
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Energy: 0.5411536152246684
Energy: 0.6262555294520481
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Energy: 0.6148008274196134
Energy: 0.53368401681138
Energy: 0.6198899404064816
Energy: 0.6144958978519016
Energy: 0.6293467353638367
Energy: 0.5375018339452327
Energy: 0.556401800975226
Energy: 0.5866087921033879
Energy: 0.5425456372563525
Energy: 0.5345207853268558
Energy: 0.7775901550914851
Energy: 0.6168133020581518
Energy: 0.6151403142984824
Energy: 0.5749648354052135
Energy: 0.5804053981755959
Energy: 0.6153226141367382
Energy: 0.8609686507780175
Energy: 0.5760251438935325
Energy: 0.5393777452027527
Energy: 0.747253842634907
Energy: 0.5882244913281959
Energy: 0.5250946736931965
Energy: 0.9841164293588281
Energy: 0.5732755134755059
Energy: 0.6158238008605483
Energy: 0.5402474106391455
Energy: 0.5744897723820603
Energy: 0.6158540251141886
Energy: 0.78019895443206
Energy: 0.5343041607842415
Energy: 0.5825576631884775
Energy: 0.5251316673199946
Energy: 0.5342194018587554
Energy: 0.579652163736131
Energy: 0.705055521687343
Energy: 0.6464780570609325
Energy: 0.537592231692513
Energy: 0.6569599067344838
Energy: 0.6233427480603145
Energy: 0.5382727447675104
Energy: 0.7774646661403223
Energy: 0.5786689186603846
Energy: 0.5765094816667677
Energy: 0.5682726931676311
Energy: 0.6163968967176434
Energy: 0.5676634201213971
Energy: 0.7450658629619168
Energy: 0.5449498899845053
Energy: 0.5383017997984855
Energy: 0.7917852862668021
Energy: 0.5414962050770329
Energy: 0.6184367123975543
Energy: 0.5258919830490066
Energy: 0.5805509099063387
Energy: 0.5695866442206126
Energy: 0.52777984641312
Energy: 0.579051123626792
Energy: 0.5675197661292516
Energy: 0.5336966309565961
Energy: 0.5296413566921448
Energy: 0.5249780149670423
Energy: 0.5334695985419938
Energy: 0.527620182731529
Energy: 0.5312227372991243
Energy: 0.6238812891293875
Energy: 0.5268500274390704
Energy: 0.5434019850411056
Energy: 0.5990214644537969
Energy: 0.5264102240449194
Energy: 0.5313922744974148
Energy: 0.5937364343001971
Energy: 0.5257958712200649
Energy: 0.5288957600433029
Energy: 0.5262889702562124
Energy: 0.5414887684252878
Energy: 0.5096073605478283

minimum gb energy = 0.5096073605478283 eV
minimum distance =  2.38417120758957 Angstroms
sigma value = 41


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

Energy: 1.1233738090742882
Energy: 0.6272081784866852
Energy: 0.5993996222900642
Energy: 0.6467583207656162
Energy: 0.6275462931213961
Energy: 0.646952325400244
Energy: 0.5649923980199634
Energy: 0.5724118785896689
Energy: 0.5621000675258435
Energy: 0.5658004328521773
Energy: 0.5660078361082846
Energy: 0.5612784935758856
Energy: 0.5673776430619367
Energy: 0.562742774866844
Energy: 0.5623220468955465
Energy: 0.5663784276237775
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Energy: 0.5615281640939385
Energy: 0.567089776589832
Energy: 0.5719700775355566
Energy: 0.5625384701066063
Energy: 0.5683290358008516
Energy: 0.5658737384181581
Energy: 0.5663902705487853
Energy: 0.5648494440167274
Energy: 0.5827958272366125
Energy: 0.5740840281408549
Energy: 0.579735488205547
Energy: 0.562676763124002
Energy: 0.5628072720728033
Energy: 0.6255983460444996
Energy: 0.5726898345945647
Energy: 0.5731075229736886
Energy: 0.5803768982642755
Energy: 0.5691989287844053
Energy: 0.5686272553827721
Energy: 0.6286751627585607
Energy: 0.566278254433828
Energy: 0.568279356616149
Energy: 0.5665162763415849
Energy: 0.5799730301438184
Energy: 0.5638539961757509
Energy: 0.5878883168412854
Energy: 0.5983509305487853
Energy: 0.5983602659035315
Energy: 0.5416536987780954
Energy: 0.5981068854440393
Energy: 0.5583142591705087
Energy: 0.6282778313725307
Energy: 0.5629312812087882
Energy: 0.5620408643556021
Energy: 0.5806844956987434
Energy: 0.5657607122048416
Energy: 0.562203003216182
Energy: 0.8306208520084221
Energy: 0.5675835053039074
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Energy: 0.7306390117876237
Energy: 0.5837451510139963
Energy: 0.5718591590632629
Energy: 0.628744449710035
Energy: 0.5674339265870707
Energy: 0.5615119097843663
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Energy: 0.579516947504418
Energy: 0.5620045225602174
Energy: 0.6799797614003401
Energy: 0.5416541400927293
Energy: 0.5414207889355818
Energy: 0.5831579596680214
Energy: 0.5412570369292665
Energy: 0.5722636145521263
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Energy: 0.5410816248055221
Energy: 0.5412562689296412
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Energy: 0.5796940491387192
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Energy: 0.566947993175058
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Energy: 0.5621088105821462
Energy: 0.5996022861786077
Energy: 0.5698472648774732
Energy: 0.5949045393270915
Energy: 0.5991321571121189
Energy: 0.5718456192182538
Energy: 0.5949677343122494
Energy: 0.5652891285619738
Energy: 0.5809042057830122
Energy: 0.5627223310064613
Energy: 0.5798879139178491
Energy: 0.5659445688992552
Energy: 0.5633436447394969
Energy: 1.0727649502246541
Energy: 0.5669101211150275
Energy: 0.5765191164096676
Energy: 0.5908715575873726
Energy: 0.5729010014123523
Energy: 0.5415252452969983
Energy: 0.5879755676294378
Energy: 0.5673152410877975
Energy: 0.5675069262542131
Energy: 0.5395283842448549
Energy: 0.5786631781496511
Energy: 0.5418703876367215
Energy: 0.5672165794390516
Energy: 0.567934202628712
Energy: 0.5633862337894916
Energy: 0.5677345304999389
Energy: 0.5664176595214591
Energy: 0.563442291916148
Energy: 0.5656957595722923
Energy: 0.5663083219453127
Energy: 0.5624417099661414
Energy: 0.5662723958860408
Energy: 0.5677962571958425
Energy: 0.5638948231434555
Energy: 0.5650330386666339
Energy: 0.5633099161018776
Energy: 0.5610729764467743
Energy: 0.5655633791449344
Energy: 0.5664050475905101
Energy: 0.561208386607832
Energy: 0.7302593781014142
Energy: 0.5944495333854477
Energy: 0.6184268667474638
Energy: 0.9087055798158535
Energy: 0.5954068332201468
Energy: 0.5764484209477843
Energy: 0.6284632242887127
Energy: 0.5628672221967072
Energy: 0.5626983532366739
Energy: 0.5837439603207156
Energy: 0.565962295835879
Energy: 0.5619517839703848
Energy: 0.5878900942098941
Energy: 0.5999938548237901
Energy: 0.5677632253685351
Energy: 0.5418186070795009
Energy: 0.6004856625447393
Energy: 0.5448923968983641
Energy: 0.6288687349734154
Energy: 0.566169508167473
Energy: 0.5642503317808144
Energy: 0.58070888443518
Energy: 0.5681165320394305
Energy: 0.5626916064322333
Energy: 0.6286872240938108
Energy: 0.5672355979654634
Energy: 0.5668281782018793
Energy: 0.5673016266160119
Energy: 0.583116926820289
Energy: 0.5612670784009816
Energy: 0.8303922819247376
Energy: 0.5670255256698749
Energy: 0.5729297934852536
Energy: 0.5682281019179904
Energy: 0.5841135699399006
Energy: 0.5709274107865245
Energy: 0.625592373669017
Energy: 0.5573205089916957
Energy: 0.5738416838774782
Energy: 0.579180846936379
Energy: 0.5659928009478129
Energy: 0.5714623203927781
Energy: 0.567741626716094
Energy: 0.5416189937317737
Energy: 0.5415912019296695
Energy: 0.5827733118563151
Energy: 0.5419385836536731
Energy: 0.5423072266959154
Energy: 0.5675399738159803
Energy: 0.568856189706959
Energy: 0.566383720256258
Energy: 0.5646221119129985
Energy: 0.5782642795690907
Energy: 0.5668511126783287
Energy: 0.5681111369524549
Energy: 0.5623406674259733
Energy: 0.5609389725504947
Energy: 0.568246918549215
Energy: 0.5676379127781597
Energy: 0.5625130057461563
Energy: 0.5658855292465075
Energy: 0.5669884422014199
Energy: 0.5612667915659977
Energy: 0.569956291753848
Energy: 0.5665401942696612
Energy: 0.5666560686645249
Energy: 1.0721194624431114
Energy: 0.5661675436897619
Energy: 0.5579854162093775
Energy: 0.5509268369408418
Energy: 0.5810202079387806
Energy: 0.5582736496625359

minimum gb energy = 0.5395283842448549 eV
minimum distance =  2.3851150677241 Angstroms
sigma value = 33


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

Energy: 0.7579177038732976
Energy: 0.6564964746026829
Energy: 0.6075666630660022
Energy: 0.6038319299443078
Energy: 0.6588622881133576
Energy: 0.607854769592716
Energy: 0.6164262389245327
Energy: 0.5986761068119701
Energy: 0.5975920850612056
Energy: 0.6131878176932407
Energy: 0.6146289006913492
Energy: 0.5990195678769429
Energy: 0.6170720154182918
Energy: 0.599344776075457
Energy: 0.6000206863078903
Energy: 0.5997840218760827
Energy: 0.5995280031828013
Energy: 0.600448243842517
Energy: 0.6263569308443311
Energy: 0.6006732402270055
Energy: 0.6045718538360203
Energy: 0.6143652239177534
Energy: 0.6001504676992651
Energy: 0.6033269009051406
Energy: 0.615671678158179
Energy: 0.6019540396000174
Energy: 0.5835706708919087
Energy: 0.6162796630591513
Energy: 0.6179588512459077
Energy: 0.6132153998584182
Energy: 0.6498163235135904
Energy: 0.6042627430537904
Energy: 0.6038651214672307
Energy: 0.6575290266430375
Energy: 0.6027588615099643
Energy: 0.6053468689624082
Energy: 0.6501890113457168
Energy: 0.6007741777121748
Energy: 0.6171008125066219
Energy: 0.6183857573511011
Energy: 0.6349269889855219
Energy: 0.601646905699956
Energy: 0.6469274519355169
Energy: 0.625341543425851
Energy: 0.6029504550722533
Energy: 0.583531988595887
Energy: 0.6524214672781674
Energy: 0.6038722615467409
Energy: 0.6492917111029773
Energy: 0.5829970615140967
Energy: 0.5829078449639761
Energy: 0.5837422271723269
Energy: 0.5843162431731205
Energy: 0.5866941916212123
Energy: 0.7019035351744528
Energy: 0.5983624893078175
Energy: 0.5983568999071656
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Energy: 0.6001878235377547
Energy: 0.6044238152528666
Energy: 0.6493077893615377
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Energy: 0.6142792878718697
Energy: 0.5851075784217497
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Energy: 0.6522169067258605
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Energy: 0.581794726364981
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Energy: 0.5903383074411649
Energy: 0.5819262214452129
Energy: 0.6574904685124338
Energy: 0.5819627749343589
Energy: 0.5821677917909425
Energy: 0.5857396165765064
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Energy: 0.6015251573215373
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Energy: 0.6173091178758153
Energy: 0.6012742409562635
Energy: 0.5813950008694585
Energy: 0.5991808439600472
Energy: 0.5986270971654407
Energy: 0.599380189041897
Energy: 0.5990413281968061
Energy: 0.5994560273438195
Energy: 0.616357572749881
Energy: 0.6126772982136024
Energy: 0.5988633531001485
Energy: 0.6186303581619335
Energy: 0.6167556453182287
Energy: 0.600140012633515
Energy: 0.9815254472674962
Energy: 0.5850340795383828
Energy: 0.6039376542499518
Energy: 0.6017507413548564
Energy: 0.6489751423776896
Energy: 0.6086574172484052
Energy: 0.6516322392242527
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Energy: 0.5831520675289997
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Energy: 0.5840650093301227
Energy: 0.5833799767561373
Energy: 0.6243400669523473
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Energy: 0.5830400006375103
Energy: 0.5997875137709351
Energy: 0.5848194537024334
Energy: 0.6044959600031223
Energy: 0.586999856991249
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Energy: 0.5851978992574483
Energy: 0.6019889641951782
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Energy: 0.6158556963535727
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Energy: 0.5997841531442825
Energy: 0.6038046533217223
Energy: 0.6326755384596948
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Energy: 0.5978832073568439
Energy: 0.5829407094763741
Energy: 0.5822693192058289
Energy: 0.648885220365331
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Energy: 0.6171278833109858
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Energy: 0.5997351285499666
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Energy: 0.6266554596756908
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Energy: 0.5858863757542087
Energy: 0.583553606048622
Energy: 0.5857128479691797
Energy: 0.5833062278868322
Energy: 0.6537763843709096
Energy: 0.606481211176947
Energy: 0.6233729886553004
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Energy: 0.606318204966487
Energy: 0.6236243331165634
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Energy: 0.6167141199170841
Energy: 0.6017876599761265
Energy: 0.6230411972448316
Energy: 0.6121414563497518
Energy: 0.6019065646999241
Energy: 0.7048021872644796
Energy: 0.5846088366488063
Energy: 0.5827049217763752
Energy: 0.5822437981477256
Energy: 0.6057139164862203
Energy: 0.5817562129039814

minimum gb energy = 0.5811965737422178 eV
minimum distance =  2.39105585795166 Angstroms
sigma value = 67


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

Energy: 0.8898992508426191
Energy: 0.6703806706381882
Energy: 0.6496281232540311
Energy: 0.6623695939026706
Energy: 0.6698386843164645
Energy: 0.6483880776141617
Energy: 0.6653824102446535
Energy: 0.6327795877478731
Energy: 0.6322864688582511
Energy: 0.6325298503788185
Energy: 0.6339034159225423
Energy: 0.6319390743263439
Energy: 0.6601093448076094
Energy: 0.6136234830348735
Energy: 0.6331225266890737
Energy: 0.6331652685082996
Energy: 0.6108307896471612
Energy: 0.633005766662915
Energy: 0.6602217392685229
Energy: 0.632510946643817
Energy: 0.632807329898181
Energy: 0.6311380249409481
Energy: 0.6331219471889562
Energy: 0.6331199160031159
Energy: 0.6629071875472317
Energy: 0.6335704227164919
Energy: 0.63456924791083
Energy: 0.6634324014502373
Energy: 0.6335565763814002
Energy: 0.634900161968242
Energy: 0.6645737498176125
Energy: 0.6384865973540633
Energy: 0.6368646759471066
Energy: 0.6649758201933983
Energy: 0.6380048791931829
Energy: 0.6368196619467308
Energy: 0.7030794015810449
Energy: 0.6333983681731404
Energy: 0.6324522820183665
Energy: 0.6093847383131952
Energy: 0.63410769818189
Energy: 0.6321536253433798

minimum gb energy = 0.6093847383131952 eV
minimum distance =  2.42540364655903 Angstroms
sigma value = 3


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

Energy: 1.0457795994642298
Energy: 0.7981568574899772
Energy: 0.7203304861708312
Energy: 0.7047629055455239
Energy: 1.1486285154665072
Energy: 0.7478826866373284
Energy: 0.7623641995615473
Energy: 0.7401067907195742
Energy: 0.7162168855289376
Energy: 0.7287141302580317
Energy: 0.7412875001205975
Energy: 0.716209160089366
Energy: 0.7733653509881429
Energy: 0.7505165549419578
Energy: 0.7505848387004443
Energy: 0.7211880537064342
Energy: 0.7500311418119543
Energy: 0.7893612755818865
Energy: 0.7685305707808839
Energy: 0.7190813812592087
Energy: 0.7223637297856439
Energy: 0.7709067012924691
Energy: 0.7423999750461093
Energy: 0.7174041176423815
Energy: 0.7744605890860409
Energy: 0.7093070761686071
Energy: 0.7719429324330788
Energy: 0.7765869442014106
Energy: 0.7684580379803319
Energy: 0.7114305578639591
Energy: 0.7650358117164401
Energy: 0.7589672961884097
Energy: 0.7581235156458521
Energy: 0.7670546221656765
Energy: 0.7663756159737266
Energy: 0.7572640136752925
Energy: 0.766692960824901
Energy: 0.7277789820199622
Energy: 0.7781002619317811
Energy: 0.7699211778509268
Energy: 0.7215003914049958
Energy: 0.7737851676938479
Energy: 0.9501533564075891
Energy: 0.8053382847498081
Energy: 0.746719263238238
Energy: 0.7411957517599566
Energy: 0.7934491683336309
Energy: 0.8005783442902414
Energy: 0.7688188536579096
Energy: 0.7708924606814448
Energy: 0.7774435450573618
Energy: 0.7865170258262011
Energy: 0.7674951228646263
Energy: 0.7857396363406316
Energy: 0.7723063665164623
Energy: 0.732995408292446
Energy: 0.7321230957348996
Energy: 0.7908807184204946
Energy: 0.7264547749432381
Energy: 0.7547236153765633
Energy: 0.807868068438353
Energy: 0.7336907152010551
Energy: 0.7461923098090286
Energy: 0.812538647546774
Energy: 0.7238358975242813
Energy: 0.7937785201741522
Energy: 0.8063211943455468
Energy: 0.7616803245233621
Energy: 0.761540870619254
Energy: 0.7693901371946555
Energy: 0.7625486394488371
Energy: 0.761380463770973
Energy: 0.7515243022867328
Energy: 0.7620112687285476
Energy: 0.7622459346667666
Energy: 0.7216330918506952
Energy: 0.7620939565727541
Energy: 0.762145292310769
Energy: 0.7959215599006845
Energy: 0.7661596658785477
Energy: 0.7636506067516011
Energy: 0.7804582390966209
Energy: 0.7627304013776001
Energy: 0.764333347174738
Energy: 0.7850649847314666
Energy: 0.7653076455901624
Energy: 0.8255634058152245
Energy: 0.7343318916647127
Energy: 0.7648570592248721
Energy: 0.7685457841195363
Energy: 0.8181306761458117
Energy: 0.791909787446806
Energy: 0.7929348399513341
Energy: 0.7958661292210637
Energy: 0.7921564556181208
Energy: 0.7903825020027538
Energy: 0.8803091441878456
Energy: 0.7461769875848745
Energy: 0.7446608681472756
Energy: 0.8800674314774107
Energy: 0.742910790603661
Energy: 0.7494643329986368
Energy: 0.7649469137336535
Energy: 0.769112197033832
Energy: 0.7681320611872074
Energy: 0.7866386463698937
Energy: 0.7348095472346056
Energy: 0.7674460873597803
Energy: 0.8505042400925594
Energy: 0.7704768752852688
Energy: 0.7637889085774708
Energy: 0.7646138310909137
Energy: 0.8062385718577173
Energy: 0.7301539852857488
Energy: 0.8151794968333012
Energy: 0.7593924430351475
Energy: 0.7657635759680951
Energy: 0.7317010386088637
Energy: 0.7638872447217043
Energy: 0.7294418773584015
Energy: 0.7628677160949632
Energy: 0.7716921469301762
Energy: 0.7735173985320096
Energy: 0.7640384990410054
Energy: 0.7724020193556838
Energy: 0.7729513902221268
Energy: 0.7630755801127537
Energy: 0.7683919318906207
Energy: 0.7636412820156491
Energy: 0.769374674113692
Energy: 0.7660782053434172
Energy: 0.7628775821165186
Energy: 0.7677367520151621
Energy: 0.7678515096755076
Energy: 0.7657722608446887
Energy: 0.768627526420074
Energy: 0.762401265758842
Energy: 0.7668298839401547
Energy: 0.7658024483335808
Energy: 0.7407922900478907
Energy: 0.7407430552766272
Energy: 0.765890394166639
Energy: 0.7405967778564294
Energy: 0.7830785818962187
Energy: 0.7639085941219909
Energy: 0.7873341162960277
Energy: 0.7939856889774739
Energy: 0.8084862184184365
Energy: 0.7668975672546112
Energy: 0.7930714474080816
Energy: 0.8499461794103413
Energy: 0.7854416912219475
Energy: 0.7461726216602215
Energy: 0.7214301195328596
Energy: 0.8112592319587383
Energy: 0.7265726039206739
Energy: 0.6959340635794343
Energy: 0.7853495543940398
Energy: 0.7393513609272594
Energy: 0.726602714344097
Energy: 0.8132904276539398
Energy: 0.7261667854750471
Energy: 0.763150759444484
Energy: 0.7814819409519134
Energy: 0.792729881689677
Energy: 0.8110559163547088
Energy: 0.7673271088589984
Energy: 0.7920711358211022
Energy: 0.7743229829806877
Energy: 0.753650316110054
Energy: 0.7539260116582014
Energy: 0.7724508449935058
Energy: 0.7539147579257696
Energy: 0.7723074918996915
Energy: 0.7670195289258825
Energy: 0.7726597537255826
Energy: 0.7761243570548216
Energy: 0.768323520624161
Energy: 0.7720950641076271
Energy: 0.7778348643179511
Energy: 0.767222723366209
Energy: 0.779231984535133
Energy: 0.7770851702269909
Energy: 0.7747962225897354
Energy: 0.7983689090156042
Energy: 0.775900361928779
Energy: 0.7749565298708125
Energy: 0.7668300226018001
Energy: 0.765953084434315
Energy: 0.77410944206179
Energy: 0.7729510712805999
Energy: 0.77445383623007
Energy: 0.8566138681596702
Energy: 0.781992294857418
Energy: 0.7877567832280019
Energy: 0.7397575652866856
Energy: 0.8099173720589955
Energy: 0.7447513837919567
Energy: 0.7993527303059573
Energy: 0.7677121357155592
Energy: 0.7619676071105502
Energy: 0.7579253239964296
Energy: 0.7697125063797728
Energy: 0.7612580042714879
Energy: 0.7660545199835328
Energy: 0.7487153660847807
Energy: 0.7449046861086748
Energy: 0.7665316375004798
Energy: 0.7531596205543543
Energy: 0.7579947884337865
Energy: 0.8069775285759306
Energy: 0.7332089609905595
Energy: 0.7322525933765373
Energy: 0.8069326674851833
Energy: 0.7262793909039725
Energy: 0.741881794759033
Energy: 0.8064337465890655
Energy: 0.7712232243199947
Energy: 0.7767391866865967
Energy: 0.7878293859296327
Energy: 0.7662078818918128
Energy: 0.7802798901894418
Energy: 0.7536060753131698
Energy: 0.764100161615839
Energy: 0.7665541308147852
Energy: 0.72069322033138
Energy: 0.7660970688915403
Energy: 0.8133467446921037
Energy: 0.7918245566323673
Energy: 0.7687395012640802
Energy: 0.7617295079781687
Energy: 0.7827002949207061
Energy: 0.7662502195130262
Energy: 0.7743269960972283
Energy: 0.7844560694882007
Energy: 0.7653468879537628
Energy: 0.7659434719966703
Energy: 0.7332383183628564
Energy: 0.7647248956702349
Energy: 0.7718023321122195
Energy: 0.875828165153922
Energy: 0.7612776144083955
Energy: 0.7628113934474718
Energy: 0.7887706534683813
Energy: 0.8044571261417566
Energy: 0.7935012319593475
Energy: 0.8643219822233458
Energy: 0.738772494326823
Energy: 0.741846024661116
Energy: 0.8297419014136165
Energy: 0.74867512072437
Energy: 0.7933585653984605
Energy: 0.8588385339353337
Energy: 0.7421431813446894
Energy: 0.7417745077089598
Energy: 0.8831962641677532
Energy: 0.7454607949238441
Energy: 0.7621538555102405
Energy: 0.7660482720629886
Energy: 0.7920483909267572
Energy: 0.7909182469366992
Energy: 0.7811450385095703
Energy: 0.7921654375856962
Energy: 0.7957764588275688
Energy: 1.0452530270748066
Energy: 0.7022989866420338
Energy: 0.7683362788882954
Energy: 0.7730480252968328
Energy: 0.7013247803736425
Energy: 0.768468989366545
Energy: 0.767052356254282
Energy: 0.7062495967317854
Energy: 0.7633659085469685
Energy: 0.7746841618016025
Energy: 0.7057012792114885
Energy: 0.766067971552363
Energy: 0.7622919206989968
Energy: 0.7649857517867811
Energy: 0.7651246315219277
Energy: 0.7654235827961764
Energy: 0.7644952528847476
Energy: 0.7644751650026912
Energy: 0.7761314886623077
Energy: 0.7246161006948366
Energy: 0.774164332319167
Energy: 0.765018377323172
Energy: 0.7609314628692945
Energy: 0.7153629960448307
Energy: 0.7608995798441933
Energy: 0.7679731297967197
Energy: 0.710711352348659
Energy: 0.7631672207718917
Energy: 0.7357469343706514
Energy: 0.7183750212381336
Energy: 0.7722003257390807
Energy: 0.7701390810263924
Energy: 0.7405078163839236
Energy: 0.718550954951719
Energy: 0.7404282088972712
Energy: 0.7323694176211517
Energy: 0.7525828073373422
Energy: 0.707890258946757
Energy: 0.7278468819549987
Energy: 0.7172521934733646
Energy: 0.6959252454260877
Energy: 0.7237812083033418

minimum gb energy = 0.6959252454260877 eV
minimum distance =  2.35911590204911 Angstroms
sigma value = 81


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

Energy: 1.4710606428246176
Energy: 0.7410830970806477
Energy: 0.7123878443733739
Energy: 0.7165514618660335
Energy: 0.7412018762182043
Energy: 0.7606246203498058
Energy: 0.793891216545162
Energy: 0.6959898096401562
Energy: 0.711511818269442
Energy: 0.7218265258433799
Energy: 0.6834964994377591
Energy: 0.6985765297921432
Energy: 0.7974980313023148
Energy: 0.7255895952511292
Energy: 0.7406074409112767
Energy: 0.74382982875822
Energy: 0.7579681398117765
Energy: 0.7394934461515059
Energy: 0.7965189208007608
Energy: 0.7266167928545536
Energy: 0.7253441117802869
Energy: 0.7984150541439797
Energy: 0.7557029808546732
Energy: 0.7345611267230155
Energy: 0.796512343098991
Energy: 0.6965363921426836
Energy: 0.7984235579433759
Energy: 0.724353545677395
Energy: 0.7312132404917097
Energy: 0.7206149319966282
Energy: 0.79470373231326
Energy: 0.800429103932519
Energy: 0.7925314030191394
Energy: 0.7259639443529038
Energy: 0.7250380973121359
Energy: 0.7990905680389175
Energy: 0.8242116373034769
Energy: 0.7486339469540728
Energy: 0.743974296149772
Energy: 0.7986866575240538
Energy: 0.6966179047341916
Energy: 0.7466346323985382
Energy: 0.8634534571981872
Energy: 0.7903769490832655
Energy: 0.7901695750202087
Energy: 0.7276996861095436
Energy: 0.8545116310516475
Energy: 0.740515293947247
Energy: 0.7816424163876208
Energy: 0.7453079821880542
Energy: 0.749346623881833
Energy: 0.8023479036846545
Energy: 0.7439412848232702
Energy: 0.7449057509395511
Energy: 0.8116999194583969
Energy: 0.7615423681621466
Energy: 0.7587261395112718
Energy: 0.7603971887705714
Energy: 0.7481035913730395
Energy: 0.7573887736795877
Energy: 0.8039036379842256
Energy: 0.7486639802820362
Energy: 0.7452184944179513
Energy: 0.756201145049132
Energy: 0.7292063770528258
Energy: 0.7547485083408332
Energy: 0.7675266523950278
Energy: 0.7415844716991888
Energy: 0.7419332566766783
Energy: 0.7508927959250601
Energy: 0.7410127961692977
Energy: 0.741927041330992
Energy: 0.7663861043185735
Energy: 0.7439918497706631
Energy: 0.7406030198029361
Energy: 0.7447241875167838
Energy: 0.7279285308944781
Energy: 0.7377252861186915
Energy: 0.8204256861072153
Energy: 0.7538720417098034
Energy: 0.7534365207330443
Energy: 0.7829409129545876
Energy: 0.7538500209917355
Energy: 0.7297664935537269
Energy: 0.8956967352180452
Energy: 0.8144975271236072
Energy: 0.804237581828453
Energy: 0.8041484841024835
Energy: 0.804935714742226
Energy: 0.7979313487687525
Energy: 0.8049068684063283
Energy: 0.7991285482548759
Energy: 0.802066797785533
Energy: 0.8052876225675798
Energy: 0.790949913105301
Energy: 0.8045233249475061
Energy: 0.8966236134575387
Energy: 0.7276261133027089
Energy: 0.7273386791866584
Energy: 0.8973428161841543
Energy: 0.7277676044368427
Energy: 0.7405867998282809
Energy: 0.7893154554299592
Energy: 0.7419169184137399
Energy: 0.7982930510950677
Energy: 0.8271023440048249
Energy: 0.7796166808325483
Energy: 0.8461418985048893
Energy: 0.8190536316069261
Energy: 0.7744227200596773
Energy: 0.7087301655639952
Energy: 0.7088098404283264
Energy: 0.8318139548177875
Energy: 0.7082553083440989
Energy: 0.8258801191127968
Energy: 0.7825875528767754
Energy: 0.707660542761665
Energy: 0.7084036202116413
Energy: 0.7972742854819562
Energy: 0.7017679916374568
Energy: 0.7888629038254704
Energy: 0.7471044955480526
Energy: 0.7823365350102149
Energy: 0.827053389905806
Energy: 0.7473295501607158
Energy: 0.8354920759357193
Energy: 0.8001491349926897
Energy: 0.726663797055733
Energy: 0.7265957419793959
Energy: 0.7985125839042183
Energy: 0.7274855914162475
Energy: 0.7384351627039456
Energy: 0.7984381633356666
Energy: 0.800499443926549
Energy: 0.801433227215591
Energy: 0.7991485449967451
Energy: 0.8016426846971173
Energy: 0.796886498937695
Energy: 0.7997188619815349
Energy: 0.7969540230360843
Energy: 0.7969394787416527
Energy: 0.8031589000868405
Energy: 0.7967740829403079
Energy: 0.7966859137108615
Energy: 0.8158607723413693
Energy: 0.7705472998379557
Energy: 0.7729881995047213
Energy: 0.7832949022726657
Energy: 0.7638819355715483
Energy: 0.7808084139937959
Energy: 0.8605708131180403
Energy: 0.7876882302780738
Energy: 0.7826718835696462
Energy: 0.7274620257608369
Energy: 0.78848313343082
Energy: 0.7829200883025014
Energy: 0.8619929341612664
Energy: 0.7898367568598441
Energy: 0.7822593485890839
Energy: 0.7368302815067596
Energy: 0.7870703059456012
Energy: 0.7442749651080098
Energy: 0.8034415719612846
Energy: 0.7471671301339926
Energy: 0.7441500543962989
Energy: 0.7576228312228702
Energy: 0.7429623650311977
Energy: 0.7551632825630903
Energy: 0.8011136518793514
Energy: 0.7609728319092818
Energy: 0.7543664788408724
Energy: 0.820391499613701
Energy: 0.7493224136660669
Energy: 0.7573616523604007
Energy: 0.7800761241802385
Energy: 0.7447680436355674
Energy: 0.7442237516503156
Energy: 0.7539638432360379
Energy: 0.7439064813029655
Energy: 0.7437496804179706
Energy: 0.766997083425989
Energy: 0.7644902053646059
Energy: 0.7420361906361046
Energy: 0.7260580466602531
Energy: 0.7710075325866976
Energy: 0.7371920089450473
Energy: 0.820430221859377
Energy: 0.7291222368852791
Energy: 0.7376555533736823
Energy: 0.744640100740927
Energy: 0.690455402185377
Energy: 0.7453424743549782
Energy: 0.8899855444485573
Energy: 0.7938887623544224
Energy: 0.7979045837287535
Energy: 0.8089790711230549
Energy: 0.719853685405983
Energy: 0.7969707113261284
Energy: 0.8018846273247269
Energy: 0.720702416317956
Energy: 0.7985959801322012
Energy: 0.7367381328250756
Energy: 0.7361918274066337
Energy: 0.7336977686752179
Energy: 0.8942335964997719
Energy: 0.7001112794447625
Energy: 0.7198998016087211
Energy: 0.8023828612584969
Energy: 0.7364349821185566
Energy: 0.7367499286668224
Energy: 0.8840309146630893
Energy: 0.7286731973778763
Energy: 0.7286061220577862
Energy: 0.7963253837339769
Energy: 0.7275708518515517
Energy: 0.8892179311831709
Energy: 0.7947315682507757
Energy: 0.698581858281742
Energy: 0.6971742171576234
Energy: 0.7218765879875407
Energy: 0.6828073756202634
Energy: 0.7534594525247849
Energy: 0.8429007379693005
Energy: 0.7326372690688034
Energy: 0.7135560585225452
Energy: 0.7015397106959691
Energy: 0.7910443364509562
Energy: 0.7479293586982125

minimum gb energy = 0.6828073756202634 eV
minimum distance =  2.35303283488535 Angstroms
sigma value = 43


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

Energy: 1.2624096212482894
Energy: 0.7998183746855935
Energy: 0.7501607849807406
Energy: 0.6984754476373846
Energy: 0.7989818579383589
Energy: 0.698061748284679
Energy: 0.6839544531380941
Energy: 0.7005942434667138
Energy: 0.6891357572735954
Energy: 0.7249004645980689
Energy: 0.6819688587765993
Energy: 0.6878344748229741
Energy: 0.68249316971418
Energy: 0.6705930771254888
Energy: 0.6701730276043809
Energy: 0.7183399029209266
Energy: 0.6706142780967702
Energy: 0.6839569473569383
Energy: 0.6839782517961168
Energy: 0.669752179611754
Energy: 0.6887497969397514
Energy: 0.6839959548498352
Energy: 0.6751647226221381
Energy: 0.6842041940985815
Energy: 0.6826166740713153
Energy: 0.6953325552966914
Energy: 0.6916068611009342
Energy: 0.6825471791325786
Energy: 0.6889270967165334
Energy: 0.6907324005391705
Energy: 0.682926013926154
Energy: 0.6886796493924504
Energy: 0.6888808818591293
Energy: 0.6888666097434714
Energy: 0.6895440411791596
Energy: 0.6891344226425182
Energy: 0.6836947405865438
Energy: 0.6838933794852847
Energy: 0.6905444569348904
Energy: 0.6882687278123982
Energy: 0.6838208990596227
Energy: 0.6904171143321566
Energy: 0.7734729840969017
Energy: 0.6822934020195245
Energy: 0.6823798966954535
Energy: 0.701434362853114
Energy: 0.6829978452977193
Energy: 0.683119559671165
Energy: 0.6789954695597475
Energy: 0.6827965955289956
Energy: 0.6822807262607944
Energy: 0.678901648309824
Energy: 0.7257069023443151
Energy: 0.6903471034232749
Energy: 0.8202509299556566
Energy: 0.6873122787256996
Energy: 0.6868133408711731
Energy: 0.7635302546471896
Energy: 0.6880774641071657
Energy: 0.6898633175825573
Energy: 0.6938323647571801
Energy: 0.6954642561965063
Energy: 0.7112294531400521
Energy: 0.6780158166397472
Energy: 0.6822209459867228
Energy: 0.6866719242943347
Energy: 0.6876035741527463
Energy: 0.6847080023531387
Energy: 0.6848360296751096
Energy: 0.6938118422934987
Energy: 0.6847643701988447
Energy: 0.6849320897306257
Energy: 0.8034170644304018
Energy: 0.6852056404833013
Energy: 0.6945558794584231
Energy: 0.6733578372378334
Energy: 0.6842585857739578
Energy: 0.6947166802215068
Energy: 0.6927365329436432
Energy: 0.6904427035388315
Energy: 0.6901333209897574
Energy: 0.6812838851496968
Energy: 0.6838508291058838
Energy: 0.6900194462519086
Energy: 0.6950663425920303
Energy: 0.6958906506173411
Energy: 0.7113383080066382
Energy: 0.7030696144850774
Energy: 0.6869943439123469
Energy: 0.7117193610271672
Energy: 0.6919077298690248
Energy: 0.6904373846217674
Energy: 0.7084388592433953
Energy: 0.6917536468530268
Energy: 0.6937849612579927
Energy: 0.6911449772420662
Energy: 0.6898269963843154
Energy: 0.7042109273880953
Energy: 0.7044635842196444
Energy: 0.6898997236755575
Energy: 0.7106313881525167
Energy: 0.7063044755119197
Energy: 0.6895902811238849
Energy: 0.6960763131104709
Energy: 0.7058572520431292
Energy: 0.7080988172796854
Energy: 0.6965371862702703
Energy: 0.7080482269865948
Energy: 0.6931518520947683
Energy: 0.691942659457298
Energy: 0.7011173976883354
Energy: 0.6933145395983978
Energy: 0.6919521543437225
Energy: 0.6857410548465528
Energy: 0.7891563743745332
Energy: 0.7010455657805008
Energy: 0.7014769002693424
Energy: 0.694632989021296
Energy: 0.7015317397865335
Energy: 0.6849166067202572
Energy: 0.6895841332740876
Energy: 0.696334719518875
Energy: 0.6962225250525463
Energy: 0.703842553970125
Energy: 0.6904009807302384
Energy: 0.6961870986707653
Energy: 0.7733614938073228
Energy: 0.6994052283137595
Energy: 0.6973926073189362
Energy: 0.7738327075474862
Energy: 0.6783888873632569
Energy: 0.777301815943104
Energy: 0.6964244495437073
Energy: 0.6968224208790785
Energy: 0.6961436818218487
Energy: 0.7044931812046835
Energy: 0.7069276659401743
Energy: 0.7077468637852335
Energy: 0.7471859507244055
Energy: 0.7010837771259554
Energy: 0.701519042232585
Energy: 0.7308427969013395
Energy: 0.6918061325939884
Energy: 0.7049302568438001
Energy: 0.6978975799968734
Energy: 0.6915078626413892
Energy: 0.7013007392685914
Energy: 0.696740642979073
Energy: 0.6909812553718551
Energy: 0.7011548995378709
Energy: 0.7203450162936137
Energy: 0.7017985676909866
Energy: 0.7046443578067562
Energy: 0.7101696394343002
Energy: 0.6922515924340579
Energy: 0.7097846540603667
Energy: 0.7205654448287544
Energy: 0.7047340628883862
Energy: 0.7051246679226838
Energy: 0.6917158360627131
Energy: 0.7021005935964281
Energy: 0.7100327185397447
Energy: 0.729219325875759
Energy: 0.691247116006874
Energy: 0.6908385960392049
Energy: 0.6835353267959009
Energy: 0.6951619253337699
Energy: 0.6894452118952417
Energy: 0.6839684985367777
Energy: 0.6850099217384654
Energy: 0.6848495760260489
Energy: 0.6838286148312341
Energy: 0.7015513355297045
Energy: 0.6846861775354683
Energy: 0.6833612367323955
Energy: 0.6911701128035745
Energy: 0.690659496359972
Energy: 0.7241089024492158
Energy: 0.6822979762474933
Energy: 0.6881291522788668
Energy: 0.6848805126471966
Energy: 0.7310491982648665
Energy: 0.7058716847497206
Energy: 0.6985238526977854
Energy: 0.7376602523753406
Energy: 0.706613998570525

minimum gb energy = 0.669752179611754 eV
minimum distance =  2.36870793424717 Angstroms
sigma value = 57


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

Energy: 0.9665976356784041
Energy: 0.7912465671383699
Energy: 0.7027935692699379
Energy: 0.6685893779809955
Energy: 0.7906071229121439
Energy: 0.7025711972066832
Energy: 0.6927519853924714
Energy: 0.704488755761297
Energy: 0.6768312411192741
Energy: 0.707563631806831
Energy: 0.7069633280672194
Energy: 0.683635485690976
Energy: 0.6765937766479423
Energy: 0.6524883445723408
Energy: 0.6514233736600584
Energy: 0.6929528734440787
Energy: 0.6535100741662645
Energy: 0.6496558166903996
Energy: 0.6954174551987724
Energy: 0.6779323915001834
Energy: 0.6512803375094117
Energy: 0.6960248099888863
Energy: 0.650750555719288
Energy: 0.682271223631585
Energy: 0.695071555365258
Energy: 0.6739029446283022
Energy: 0.6719862855942682
Energy: 0.6775026396063705
Energy: 0.6809450941523002
Energy: 0.6761304608756442
Energy: 0.6522620670610719
Energy: 0.6711163833645245
Energy: 0.6762061787967064
Energy: 0.6750768252401743
Energy: 0.6803405712261024
Energy: 0.6768908516807304
Energy: 0.7063636933254542
Energy: 0.6970080225011605
Energy: 0.6829452660921076
Energy: 0.6901092102259972
Energy: 0.6967570182554986
Energy: 0.681780403348471
Energy: 0.7025908524042321
Energy: 0.6828896962446062
Energy: 0.6744371757142434
Energy: 0.6825830279954073
Energy: 0.6828880238428351
Energy: 0.6953480956150725
Energy: 0.7035830709936403
Energy: 0.6937966485392442
Energy: 0.6919055281744106
Energy: 0.7063022847297529
Energy: 0.702300361752856
Energy: 0.6849416243525289
Energy: 0.8360638514774356
Energy: 0.6905514941323172
Energy: 0.6942918124085515
Energy: 0.7046374728207734
Energy: 0.6781614008401435
Energy: 0.6943981977220514
Energy: 0.680947325615153
Energy: 0.6764391303631564
Energy: 0.6816612302701787
Energy: 0.7083691014313024
Energy: 0.6890442402306404
Energy: 0.7074290680812937
Energy: 0.6624718423297103
Energy: 0.6933560754662332
Energy: 0.704999053996854
Energy: 0.6643793051202355
Energy: 0.7026980612562943
Energy: 0.7067910402518268
Energy: 0.6621711087934136
Energy: 0.6937032202631157
Energy: 0.7222839361195147
Energy: 0.6497487792010106
Energy: 0.6942198833213133
Energy: 0.7243595476555815
Energy: 0.6865201502068388
Energy: 0.6849108848790987
Energy: 0.6857676524819603
Energy: 0.7066049434232969
Energy: 0.7074972736978781
Energy: 0.6838406126361416
Energy: 0.6800457197993541
Energy: 0.6620663608046129
Energy: 0.6628144664359219
Energy: 0.698111395221573
Energy: 0.6558652100794057
Energy: 0.662497339770317
Energy: 0.6957639842571471
Energy: 0.6830475467536318
Energy: 0.6817031895543492
Energy: 0.6962762538695769
Energy: 0.6759402242100938
Energy: 0.682370536913468
Energy: 0.6989228806916561
Energy: 0.6741568045624647
Energy: 0.6741313036658758
Energy: 0.6782549071751643
Energy: 0.6741650766291395
Energy: 0.677371271320956
Energy: 0.6979772836785182
Energy: 0.678415060939578
Energy: 0.6720328053592011
Energy: 0.6797536132180988
Energy: 0.6799325209129146
Energy: 0.6816513272488082
Energy: 0.7125045770328966
Energy: 0.6973473281194683
Energy: 0.7039141898992756
Energy: 0.6760918961746075
Energy: 0.6960804320617344
Energy: 0.7073241891403355
Energy: 0.7130488412560309
Energy: 0.6934911715766845
Energy: 0.7045653255506932
Energy: 0.6765653242666003
Energy: 0.6929595526921744
Energy: 0.7071917305166124
Energy: 0.691968139351224
Energy: 0.7173801690629531
Energy: 0.6902427406504381
Energy: 0.7076904181263368
Energy: 0.7047287104901799
Energy: 0.6815508239712299
Energy: 0.8274286453836797
Energy: 0.689469199728261
Energy: 0.6766852711989568
Energy: 0.6781767057568665
Energy: 0.6889421683210509
Energy: 0.6770405824893272
Energy: 0.6864644950804158
Energy: 0.7056168858574228
Energy: 0.6731009412813979
Energy: 0.706552688506674
Energy: 0.7073772568719124
Energy: 0.6872637387908063
Energy: 0.6622238574325922
Energy: 0.6938062275143363
Energy: 0.722152371373952
Energy: 0.6747414074575316
Energy: 0.6934080593670235
Energy: 0.7242148094282257

minimum gb energy = 0.6496558166903996 eV
minimum distance =  2.35194977165491 Angstroms
sigma value = 17


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

Energy: 0.6278765976892816
Energy: 0.7105696517142354
Energy: 0.8078076386520141
Energy: 0.6595645861960683
Energy: 0.696158971204972
Energy: 0.6837393036145276
Energy: 0.7586417215926569
Energy: 0.7238805799930679
Energy: 0.7182811453283622
Energy: 0.7344013658163431
Energy: 0.7245918041609485
Energy: 0.6734179870594462
Energy: 0.8972773549226348
Energy: 0.6328748077113467
Energy: 0.6330309256548717
Energy: 0.7247930163815804
Energy: 0.6326998036804518
Energy: 0.6454727398063617
Energy: 0.7342392548394145
Energy: 0.6326355682798792
Energy: 0.6471304731522709
Energy: 0.7352835799211872
Energy: 0.6464449532772463
Energy: 0.7168519852046367
Energy: 0.648085068135629
Energy: 0.633447938568713
Energy: 0.6259718125293843
Energy: 0.6491264694819536
Energy: 0.6331811252555443
Energy: 0.632117390704766
Energy: 0.6503285737858113
Energy: 0.6324480190166326
Energy: 0.625565690314604
Energy: 0.6099193035137723
Energy: 0.6433215243151722
Energy: 0.6205169723464267
Energy: 0.644797051520667
Energy: 0.639915415439954
Energy: 0.6398737612415054
Energy: 0.6414155048654967
Energy: 0.6432710393523383
Energy: 0.6259464281355688
Energy: 0.6295168807985024
Energy: 0.6174376899260678
Energy: 0.6122128190419633
Energy: 0.6128341964678269
Energy: 0.6129573706606413
Energy: 0.6149331694756254
Energy: 0.6415994835191412
Energy: 0.6135451798488318
Energy: 0.6133178112473742
Energy: 0.642955181802467
Energy: 0.6158477155481094
Energy: 0.6315215385474919
Energy: 0.6451662284275387
Energy: 0.6245239221887953
Energy: 0.6248273202141601
Energy: 0.6411417866558613
Energy: 0.6244898998120703
Energy: 0.6248704168334416
Energy: 0.6522375781418077
Energy: 0.6317619682820778
Energy: 0.6322676524758215
Energy: 0.6407600355774624
Energy: 0.7304744750437612
Energy: 0.6327967989685439
Energy: 0.6492266536273311
Energy: 0.7303700049157837
Energy: 0.7295383867654622
Energy: 0.6292754221587046
Energy: 0.7301178397476609
Energy: 0.7197934621185058
Energy: 0.7293826573072372
Energy: 0.710594437568164
Energy: 0.7136730909043975
Energy: 0.6267934187539869
Energy: 0.7128820137535871
Energy: 0.7126347534881148
Energy: 0.7352319589904345
Energy: 0.7248233295834823
Energy: 0.7185654226506553
Energy: 0.7347989906307649
Energy: 0.7307625114206876
Energy: 0.6575595909161325
Energy: 0.6993966500596418
Energy: 0.7222219428451931
Energy: 0.7194126603142763
Energy: 0.7133748978858185
Energy: 0.718302421822922
Energy: 0.7312442730932878
Energy: 0.8151175543804574
Energy: 0.7309605656959356
Energy: 0.6656250008267068
Energy: 0.7246069375539859
Energy: 0.7347171835946161
Energy: 0.7286475286685297
Energy: 0.7213676883163525
Energy: 0.7187433379486055
Energy: 0.8014315433515118
Energy: 0.6424438352360279
Energy: 0.7250614748759981
Energy: 0.8017827524227984

minimum gb energy = 0.6099193035137723 eV
minimum distance =  2.37687162281101 Angstroms
sigma value = 17


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

Energy: 1.1806695940370366
Energy: 0.8709062978621097
Energy: 0.6487311095061138
Energy: 0.6465431210473764
Energy: 0.7226463299423996
Energy: 0.646476583669076
Energy: 0.7784885915221158
Energy: 0.7047849186672718
Energy: 0.5963262665013683
Energy: 0.7135801168677259
Energy: 0.7018568437457103
Energy: 0.6493092609443879
Energy: 0.8540931609665299
Energy: 0.5740533443836613
Energy: 0.6040470623996982
Energy: 0.7209176601281744
Energy: 0.5745438697263721
Energy: 0.6077795872049604
Energy: 0.716908913965107
Energy: 0.6343603680814014
Energy: 0.628939541912426
Energy: 0.7179720226968715
Energy: 0.578704086223735
Energy: 0.6485167542689299
Energy: 0.6275042231660092
Energy: 0.6001848727618244
Energy: 0.5966504252209066
Energy: 0.6280024882217415
Energy: 0.6145219442460028
Energy: 0.5982139373226525
Energy: 0.6300670582551867
Energy: 0.5934697194643342
Energy: 0.5718080418564716
Energy: 0.5761795213613381
Energy: 0.6186024478632861
Energy: 0.5726704223699279
Energy: 0.5795833153112346
Energy: 0.6186264658311281
Energy: 0.6185423002286453
Energy: 0.5662952934763787
Energy: 0.6218503519459009
Energy: 0.5685316702529372
Energy: 0.5805966760010818
Energy: 0.5596338831566918
Energy: 0.565399156735797
Energy: 0.5686766917170143
Energy: 0.5592377296307954
Energy: 0.5651506242215467
Energy: 0.5812991075237709
Energy: 0.5652882125894462
Energy: 0.5810532317270598
Energy: 0.5820373537378145
Energy: 0.574842226276207
Energy: 0.580398256083673
Energy: 0.579719274010192
Energy: 0.5630575519087204
Energy: 0.5633636263241782
Energy: 0.5798701719364177
Energy: 0.5626787121450877
Energy: 0.5632486537072573
Energy: 0.5900543476349147
Energy: 0.5809295180080377
Energy: 0.5625598731792337
Energy: 0.5620637595210963
Energy: 0.5800140663241765
Energy: 0.5621917676173728
Energy: 0.5830168372099815
Energy: 0.5807498653656771
Energy: 0.5804152369500436
Energy: 0.584099664564376
Energy: 0.5845983455744489
Energy: 0.5816907277572448
Energy: 0.5925792257968563
Energy: 0.5651015415699144
Energy: 0.5645467076306129
Energy: 0.5657492016057497
Energy: 0.6067359910516136
Energy: 0.5655317684334182
Energy: 0.6196518243870928
Energy: 0.5683694621822646
Energy: 0.5683100071178431
Energy: 0.6212320068966339
Energy: 0.5665836869658517
Energy: 0.6186763556181506
Energy: 0.6186163293369811
Energy: 0.5680701347231335
Energy: 0.5739040923499914
Energy: 0.6188342704953584
Energy: 0.566821599817286
Energy: 0.5896920890396398
Energy: 0.7149551077592253
Energy: 0.6165647081485585
Energy: 0.5975959927147331
Energy: 0.6142631544017583
Energy: 0.6248147821716833
Energy: 0.6009951439342802
Energy: 0.5807801703795893
Energy: 0.7142505974127595
Energy: 0.714067092425968
Energy: 0.5782186013299426
Energy: 0.7200146652771927
Energy: 0.5949962220774576
Energy: 0.6412106176276499
Energy: 0.6961602024250714
Energy: 0.7008868315145745
Energy: 0.6304256136843341
Energy: 0.69895155567246
Energy: 0.5942528281302525
Energy: 0.793643804627276
Energy: 0.7139953186191293
Energy: 0.6495185038422063
Energy: 0.7145225984853669
Energy: 0.6241413199480892
Energy: 0.5966726074827203
Energy: 0.8576797730945066
Energy: 0.6123519314346364
Energy: 0.611955763819832
Energy: 0.6972447929929064
Energy: 0.59970250169924
Energy: 0.7016841234675661
Energy: 0.8504961755622819
Energy: 0.6604325658248571
Energy: 0.6826877450050757
Energy: 0.7151670425461025
Energy: 0.6974881634391058
Energy: 0.7007609120669998
Energy: 0.5895870209811856
Energy: 0.7086949438514175
Energy: 0.7782590225817332
Energy: 0.6283282194232672
Energy: 0.7020085936689648
Energy: 0.6313660434477084
Energy: 0.5918596488868633
Energy: 0.7067905075966173
Energy: 0.7017172417114544
Energy: 0.5932836211190133
Energy: 0.6976550034252963
Energy: 0.6623708534874324
Energy: 0.8492277571822991
Energy: 0.6220426423202481
Energy: 0.7008549815032612
Energy: 0.7152662270464278
Energy: 0.577190877604105
Energy: 0.6615772628595858
Energy: 0.7137351324040458
Energy: 0.5763211781343994
Energy: 0.6043251690071958
Energy: 0.7139103001524433
Energy: 0.5762387354301628
Energy: 0.6104507864608745
Energy: 0.6299786376533155
Energy: 0.5941403815739753
Energy: 0.5986565652379999
Energy: 0.6268888317033694
Energy: 0.6136776964326492
Energy: 0.6169806625277914
Energy: 0.5707279360807289
Energy: 0.6013896351835027
Energy: 0.6038898916051104
Energy: 0.5742194021549276
Energy: 0.5954712706839317
Energy: 0.5747422246464962
Energy: 0.5767833273124261
Energy: 0.6250052486036449
Energy: 0.6189899243261396
Energy: 0.5769607897819097
Energy: 0.620990808214888
Energy: 0.618705828175924
Energy: 0.5801347557328185
Energy: 0.5680856333263378
Energy: 0.5687605738203518
Energy: 0.5676831145361283
Energy: 0.618684180603377
Energy: 0.5687603012524562
Energy: 0.5800705770792901
Energy: 0.5587094598239094
Energy: 0.5654288895487036
Energy: 0.5803164969277331
Energy: 0.5592567669863079
Energy: 0.5649911523254613
Energy: 0.5843829506829954
Energy: 0.5644443338084889
Energy: 0.5645934987123189
Energy: 0.5855029658954108
Energy: 0.5599444117620961
Energy: 0.5747957262617615
Energy: 0.5807972087356096
Energy: 0.5645672482281864
Energy: 0.5644803954248737
Energy: 0.5721484552333539
Energy: 0.5608558499602698
Energy: 0.5644284433351033
Energy: 0.5882470676157111
Energy: 0.5853597091415604
Energy: 0.5805115962559992
Energy: 0.5884845562279398
Energy: 0.5815139720633439
Energy: 0.5805189771919244
Energy: 0.6335362545922429
Energy: 0.5713465461647425
Energy: 0.567783589284685
Energy: 0.5661835337784008
Energy: 0.5652410130777242
Energy: 0.5691162344381818
Energy: 0.6252333562469806
Energy: 0.5680132925504883
Energy: 0.5679274881836267
Energy: 0.6256370157867003
Energy: 0.5682113685770249
Energy: 0.5687701182278899
Energy: 0.6263232840776962
Energy: 0.5667903015777933
Energy: 0.5938174513542048
Energy: 0.6272164837222917
Energy: 0.5669941500687551
Energy: 0.6149935753577509
Energy: 0.7981257137019436
Energy: 0.5943846881226771
Energy: 0.5941502525970194
Energy: 0.6165945368267419
Energy: 0.624506236666194
Energy: 0.5895394032123811
Energy: 0.5865837166919217
Energy: 0.7187955329462636
Energy: 0.714379271678434
Energy: 0.6063995549348205
Energy: 0.7155920238852624
Energy: 0.6167382930354596
Energy: 0.6104262393565475
Energy: 0.6856293338116265
Energy: 0.6116913663238612
Energy: 0.5905017850770747
Energy: 0.6788770272434386
Energy: 0.6038047242329455
Energy: 0.6186746095205687
Energy: 0.6977121123322556
Energy: 0.6795811756632728
Energy: 0.6296518612647505
Energy: 0.7171303051794558
Energy: 0.6239233600218056
Energy: 0.7995223203624793
Energy: 0.595835312580146
Energy: 0.6885391989377453
Energy: 0.7012073187461793
Energy: 0.5964875246286794
Energy: 0.6921427218201176
Energy: 0.8555072739298265
Energy: 0.6483674622369763
Energy: 0.597555232732144
Energy: 0.7153010734083354
Energy: 0.6284960304834308
Energy: 0.6813420749546983
Energy: 0.5932224036157966
Energy: 0.7063580632155148
Energy: 0.7012772027438101
Energy: 0.5910035527297075
Energy: 0.714218275115104
Energy: 0.6620603279363019

minimum gb energy = 0.5587094598239094 eV
minimum distance =  2.37678365660008 Angstroms
sigma value = 57


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

Energy: 0.5396398277643399
Energy: 0.8786067157989645
Energy: 0.617854630722171
Energy: 0.552131459388874
Energy: 0.8959947570157185
Energy: 0.6182870231754278
Energy: 0.7629230603831904
Energy: 0.5655049836326284
Energy: 0.5669544997710472
Energy: 0.6536167053690856
Energy: 0.5700746617815372
Energy: 0.5651560226427943
Energy: 0.8058591669281318
Energy: 0.5420640187038143
Energy: 0.5426175824043262
Energy: 0.6938033220240222
Energy: 0.5419509320952921
Energy: 0.5817233302229213
Energy: 0.688873560084256
Energy: 0.5418352058285096
Energy: 0.6110450833430555
Energy: 0.5915166690408941
Energy: 0.543430527422641
Energy: 0.6138406605087592
Energy: 0.5938595016849876
Energy: 0.5653208349546607
Energy: 0.5683115885015512
Energy: 0.5936329289454284
Energy: 0.5884471082314884
Energy: 0.565434296455445
Energy: 0.5461719834230981
Energy: 0.5634502284184617
Energy: 0.5409629133186283
Energy: 0.5243864165600204
Energy: 0.5991362201026352
Energy: 0.5417452184922753
Energy: 0.5532695022492132
Energy: 0.6053280343925231
Energy: 0.5991181052147316
Energy: 0.531481643984838
Energy: 0.6042661165254548
Energy: 0.5360798080385734
Energy: 0.723815344155807
Energy: 0.5201238149880036
Energy: 0.5200675501267438
Energy: 0.5345670634274523
Energy: 0.5198401522990933
Energy: 0.530643497545631
Energy: 0.5562433725071013
Energy: 0.5525537785126232
Energy: 0.5542399527782841
Energy: 0.5577483705171533
Energy: 0.5596864570477001
Energy: 0.5539309877688416
Energy: 0.5670222129552489
Energy: 0.5259995353608066
Energy: 0.5254486401312035
Energy: 0.5532117576957456
Energy: 0.5253712059856713
Energy: 0.5262684423721669
Energy: 0.5386964761941762
Energy: 0.5330032588499792
Energy: 0.5298157964247212
Energy: 0.5147890853194109
Energy: 0.5458904004957797
Energy: 0.5167649125890893
Energy: 0.557084734392514
Energy: 0.5401581246269043
Energy: 0.5447609973217205
Energy: 0.5337768785065404
Energy: 0.5374690289142822
Energy: 0.5191772397508887
Energy: 0.5333058370756316
Energy: 0.568919134432504
Energy: 0.5233802367105432
Energy: 0.5219877242740492
Energy: 0.5738397965085745
Energy: 0.5231113776450541
Energy: 0.5341380478093726
Energy: 0.5186923311760508
Energy: 0.5341770372744993
Energy: 0.5352940076243224
Energy: 0.5388296133355052
Energy: 0.544523792687212
Energy: 0.5325919791107353
Energy: 0.5179976926841361
Energy: 0.5173355736740719
Energy: 0.5329375927554676
Energy: 0.5195762609428131
Energy: 0.5172394461313802
Energy: 0.565475699553183
Energy: 0.564985787277193
Energy: 0.5234224127464624
Energy: 0.5243340051602989
Energy: 0.5627783245494987
Energy: 0.5222541595774464
Energy: 0.5347452742064929
Energy: 0.5630183974888883
Energy: 0.5532161694490013
Energy: 0.5251474955817848
Energy: 0.5598694392908733
Energy: 0.5361390321923258
Energy: 0.5362423563359956
Energy: 0.5393364407973985
Energy: 0.5400553522628035
Energy: 0.5368929697714038
Energy: 0.5393560474391721
Energy: 0.5402166541801553
Energy: 0.5996590643906938
Energy: 0.5372067471427965
Energy: 0.5659063284902018
Energy: 0.6013195401843907
Energy: 0.5393989133558486
Energy: 0.5996494222416267
Energy: 0.6808881039661338
Energy: 0.5439251809565443
Energy: 0.5432206400722179
Energy: 0.5882220637639085
Energy: 0.5340838127381056
Energy: 0.5663797631949624
Energy: 0.7512345164827483
Energy: 0.5906598298733573
Energy: 0.5898941150180962
Energy: 0.5881981696269428
Energy: 0.589827650167309
Energy: 0.5663985488112823
Energy: 0.5338086822567139
Energy: 0.6990029100618183
Energy: 0.5999981320392326
Energy: 0.5324982755664651
Energy: 0.6959727263529788
Energy: 0.5629379970835503
Energy: 0.5577797307294358
Energy: 0.6367522608862262
Energy: 0.6308307292426081
Energy: 0.5696160503250183
Energy: 0.6904008533596004
Energy: 0.6282580948517663
Energy: 0.7513793397963174
Energy: 0.5927341588030299
Energy: 0.5658516342545334
Energy: 0.5897648052455853
Energy: 0.5991664897513987
Energy: 0.5692538130558573
Energy: 0.8099475894029838
Energy: 0.5655542416440545
Energy: 0.5619603691858012
Energy: 0.6694782576874667
Energy: 0.5656698499648439
Energy: 0.6515829317095663
Energy: 0.8015355811755223
Energy: 0.6321113914249966
Energy: 0.6330543244645916
Energy: 0.6906909068823734
Energy: 0.6534220985754156
Energy: 0.5626502663521079
Energy: 0.5383741840504715
Energy: 0.6715094112210218
Energy: 0.6096919271153486
Energy: 0.5441820755311493
Energy: 0.6764523432274108
Energy: 0.5823031991307156

minimum gb energy = 0.5147890853194109 eV
minimum distance =  2.38820617380483 Angstroms
sigma value = 43


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

Energy: 0.4630369054504395
Energy: 0.6473094700473824
Energy: 0.5499441928740091
Energy: 0.46781643354106933
Energy: 0.6869051527016506
Energy: 0.5174711503780859
Energy: 0.6417326822299043
Energy: 0.48153035385129456
Energy: 0.4774600850227893
Energy: 0.5590296628056527
Energy: 0.5125766730581996
Energy: 0.47820108480209966
Energy: 0.6900835176549579
Energy: 0.45413655606085773
Energy: 0.4709970896525495
Energy: 0.5624991830109128
Energy: 0.45333784714169445
Energy: 0.47155954270322376
Energy: 0.6012984309064314
Energy: 0.47022116089796423
Energy: 0.4718620978127091
Energy: 0.5140974845908692
Energy: 0.5599166535856425
Energy: 0.5309237644077841
Energy: 0.5324397128577658
Energy: 0.48173640745812074
Energy: 0.4768953087332873
Energy: 0.5051117603246084
Energy: 0.5042706989941924
Energy: 0.4774820415346393
Energy: 0.44914980847854885
Energy: 0.5323773598290797
Energy: 0.46451011239459744
Energy: 0.4623802921231228
Energy: 0.5319664366291732
Energy: 0.4717243250397149
Energy: 0.6341159706952884
Energy: 0.5321346835414648
Energy: 0.5320196198055606
Energy: 0.4551728292335057
Energy: 0.5372942698003556
Energy: 0.4532744310582753
Energy: 0.6279489959595841
Energy: 0.4381651680000563
Energy: 0.4463580758522301
Energy: 0.4548433669107337
Energy: 0.43732639273672475
Energy: 0.44514168359687906
Energy: 0.49387636216766734
Energy: 0.44460658817901716
Energy: 0.4999234651309183
Energy: 0.4953928416782252
Energy: 0.4579806754023193
Energy: 0.49182248867208833
Energy: 0.4791623850403503
Energy: 0.4399736107685187
Energy: 0.4400979925044748
Energy: 0.4922630644959925
Energy: 0.43947100159940194
Energy: 0.4397570576910298
Energy: 0.44548684865425353
Energy: 0.4674582681558192
Energy: 0.43774124108342793
Energy: 0.45197679999756835
Energy: 0.4677717823892397
Energy: 0.4351271776168298
Energy: 0.4961359195950166
Energy: 0.4676570240504336
Energy: 0.467762378257694
Energy: 0.4366979741319333
Energy: 0.47403086377781867
Energy: 0.4429874860276854
Energy: 0.6016880784248991
Energy: 0.4662477998833336
Energy: 0.4714689946194574
Energy: 0.4705501306357538
Energy: 0.46443214426481955
Energy: 0.47190858859145673
Energy: 0.45375963017017146
Energy: 0.4350346492111382
Energy: 0.4536043677989401
Energy: 0.454890429609298
Energy: 0.44728928728571843
Energy: 0.4537260317149089
Energy: 0.45340124388234204
Energy: 0.43126832818476785
Energy: 0.4308250422531573
Energy: 0.45347370355371663
Energy: 0.4317247329479138
Energy: 0.4303740304918475
Energy: 0.44828672165568484
Energy: 0.4470084341855297
Energy: 0.43259789678339006
Energy: 0.42889447411631865
Energy: 0.44707453142758974
Energy: 0.42835370794281036
Energy: 0.45640897938618114
Energy: 0.44694708956352275
Energy: 0.4470900075182638
Energy: 0.43240894138392705
Energy: 0.4470404901845716
Energy: 0.43368690794582315
Energy: 0.44732707373228525
Energy: 0.4330898383217412
Energy: 0.43393081865135
Energy: 0.44701895762757665
Energy: 0.46229927080381616
Energy: 0.4336599286432145
Energy: 0.4474094792565098
Energy: 0.4451800837891117
Energy: 0.44723508461852046
Energy: 0.4485579989402017
Energy: 0.5269081295046645
Energy: 0.4471103194625862
Energy: 0.44702922103799203
Energy: 0.43784403872967337
Energy: 0.43836366143589545
Energy: 0.4477517529099756
Energy: 0.4621594182321866
Energy: 0.4383305178855343
Energy: 0.47054228049437696
Energy: 0.453536177190945
Energy: 0.45367042485628734
Energy: 0.4519523116220403
Energy: 0.4537074746971976
Energy: 0.4383063217056503
Energy: 0.4509454506629004
Energy: 0.4535868606864585
Energy: 0.44908374826350567
Energy: 0.43109257667484524
Energy: 0.4538301003953829
Energy: 0.43111161098714695
Energy: 0.46759027059036473
Energy: 0.4340553846186833
Energy: 0.43377178215172774
Energy: 0.4676201790909831
Energy: 0.43370313990375775
Energy: 0.43373985647409563
Energy: 0.46780506192872634
Energy: 0.4433443401072635
Energy: 0.46771777649970625
Energy: 0.46915230278924086
Energy: 0.4457086086365729
Energy: 0.4675183050000761
Energy: 0.6123749648032153
Energy: 0.45355582762555097
Energy: 0.4620396966615569
Energy: 0.48465066152701264
Energy: 0.453014227559011
Energy: 0.4609783945428344
Energy: 0.5656851128066592
Energy: 0.4921713144824714
Energy: 0.4918098643151243
Energy: 0.43876288846695005
Energy: 0.49225189877267395
Energy: 0.4452388736446394
Energy: 0.44767957955259374
Energy: 0.491766068965405
Energy: 0.452624278495074
Energy: 0.4381270769707395
Energy: 0.49173657889253464
Energy: 0.44258228617797835
Energy: 0.5071848861546039
Energy: 0.45619558503516877
Energy: 0.4546492692212021
Energy: 0.49665670621099833
Energy: 0.47868572344551413
Energy: 0.4535843046350078
Energy: 0.5344834511317291
Energy: 0.45674593244444417
Energy: 0.5355547386676276
Energy: 0.5357213834405369
Energy: 0.45573819820372946
Energy: 0.5319704239575871
Energy: 0.6494947634979287
Energy: 0.4459231079353618
Energy: 0.45836636491113886
Energy: 0.5127774645052461
Energy: 0.44556219042807027
Energy: 0.4580811192560672
Energy: 0.6483885989688059
Energy: 0.5123571836763519
Energy: 0.5124038756866011
Energy: 0.5125132283429389
Energy: 0.5123037934040264
Energy: 0.4807331781917508
Energy: 0.45534518572226884
Energy: 0.5652292806854721
Energy: 0.48459530147452046
Energy: 0.45432437423626354
Energy: 0.6004590912821649
Energy: 0.47191773929805525
Energy: 0.596748311019758
Energy: 0.5154515848804454
Energy: 0.5156761645828392
Energy: 0.5157142556548642
Energy: 0.5596502929844415
Energy: 0.516101610753228
Energy: 0.6502366846132807
Energy: 0.48728110511046846
Energy: 0.4870749465045558
Energy: 0.5140656253400999
Energy: 0.5643187618250032
Energy: 0.5590570844388849
Energy: 0.691044111677485
Energy: 0.46891054811227073
Energy: 0.49128807092396304
Energy: 0.5622354389348431
Energy: 0.46863887686785705
Energy: 0.5196559707521732
Energy: 0.6590614125654968
Energy: 0.514691839758229
Energy: 0.5155587418361004
Energy: 0.6006090934822448
Energy: 0.5584570896249315
Energy: 0.4789981578985927

minimum gb energy = 0.42835370794281036 eV
minimum distance =  2.41502004916246 Angstroms
sigma value = 81


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

Energy: 0.036466655030454743
Energy: 0.26479760846500044
Energy: 0.03703587029334906
Energy: 0.038537279209074876
Energy: 0.11415507826281868
Energy: 0.037046463045373394
Energy: 0.06729454486349899
Energy: 0.03740299261722423
Energy: 0.037417090483504827
Energy: 0.06844452380437455
Energy: 0.03843760380596411
Energy: 0.037404637265282925
Energy: 0.06621163113948043
Energy: 0.037118261567922584
Energy: 0.037513949295486966
Energy: 0.06632572163638527
Energy: 0.037007839492423276
Energy: 0.06644525202346349
Energy: 0.039286974011760074
Energy: 0.037143593652267735
Energy: 0.03709947520386786
Energy: 0.04110846776720715
Energy: 0.03703757451487243
Energy: 0.06683011710552547
Energy: 0.06641104413023823
Energy: 0.0662906483047034
Energy: 0.06637639754101629
Energy: 0.06730990689967674
Energy: 0.06606878696352105
Energy: 0.06780584930940146
Energy: 0.03753372083239261
Energy: 0.03774057934760131
Energy: 0.03710867892590312
Energy: 0.03876990522730688
Energy: 0.03713664599757426
Energy: 0.03703064195211959
Energy: 0.0664339405192453
Energy: 0.03753545840995911
Energy: 0.037514645000590416
Energy: 0.06662719068337893
Energy: 0.03916003624306427
Energy: 0.037537910398904514
Energy: 0.06618723530751172
Energy: 0.03717531802940934
Energy: 0.03722577924140152
Energy: 0.06617329816472958
Energy: 0.03688812442761661
Energy: 0.0675954272726705
Energy: 0.03819216182715318
Energy: 0.03715224560551631
Energy: 0.06859167088929718
Energy: 0.03913886544263912
Energy: 0.037196081104412346
Energy: 0.06810736288026752
Energy: 0.03734635388554634
Energy: 0.06598932179862373
Energy: 0.06623336919973326
Energy: 0.03740200988015699
Energy: 0.06601749873983058
Energy: 0.0659704411345846

minimum gb energy = 0.036466655030454743 eV
minimum distance =  2.5311656457747 Angstroms
sigma value = 3


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

Energy: 0.5496920834676073
Energy: 0.5347788686139987
Energy: 0.5389427510073167
Energy: 0.5121519088938581
Energy: 0.5335448593150893
Energy: 0.5140215687306204
Energy: 0.5552176277867603
Energy: 0.5391910221712027
Energy: 0.541580317309912
Energy: 0.5386241261369556
Energy: 0.5419243303486926
Energy: 0.5418188412396044
Energy: 0.5535977946926465
Energy: 0.51583356335065
Energy: 0.5158502001555372
Energy: 0.5359987618397134
Energy: 0.5128360457107561
Energy: 0.5324178793475131
Energy: 0.5193890205666656
Energy: 0.5161659397647307
Energy: 0.5157772053667611
Energy: 0.5191186990254953
Energy: 0.4664521787852395
Energy: 0.5329318550316684
Energy: 0.4757016786426257
Energy: 0.5436406502677764
Energy: 0.5426167248275988
Energy: 0.4758725527637861
Energy: 0.540661556353811
Energy: 0.5420080621013637
Energy: 0.5139449123454293
Energy: 0.5405847918135508
Energy: 0.5259445761562818
Energy: 0.4408152900565349
Energy: 0.5406948424817921
Energy: 0.4990076238052639
Energy: 0.5211088581402934
Energy: 0.48319094676902524
Energy: 0.4839105166723651
Energy: 0.5210571452546751
Energy: 0.4868012155133727
Energy: 0.5284855016705691
Energy: 0.5190364771156343
Energy: 0.5066727438147557
Energy: 0.5071113192295652
Energy: 0.5191005117687602
Energy: 0.4842720411672271
Energy: 0.48927819465237304
Energy: 0.532320859572269
Energy: 0.5076064275878723
Energy: 0.5321657202455405
Energy: 0.5349645164544914
Energy: 0.4468695560847732
Energy: 0.5322307815640711
Energy: 0.4921318964636568
Energy: 0.4820518861458916
Energy: 0.48156280692828207
Energy: 0.492547048804798
Energy: 0.4870016993897998
Energy: 0.4954295209749732
Energy: 0.5094626105085946
Energy: 0.5131903093748799
Energy: 0.5140338206028562
Energy: 0.4321717053187845
Energy: 0.5152571885095926
Energy: 0.49096718296862596
Energy: 0.4519030542109473
Energy: 0.5171137782541435
Energy: 0.5184479710745815
Energy: 0.451207716952884
Energy: 0.515751236456499
Energy: 0.4511206329785875
Energy: 0.4526372305970494
Energy: 0.48093983604690643
Energy: 0.495992044268713
Energy: 0.4526488078044565
Energy: 0.41889206059365286
Energy: 0.4744582977491626
Energy: 0.5067317863159168
Energy: 0.4746655150472655
Energy: 0.49806366607725905
Energy: 0.4543164598712802
Energy: 0.4336024617140296
Energy: 0.4976178380027364
Energy: 0.5033002579839453
Energy: 0.43007312994519775
Energy: 0.4298011154728949
Energy: 0.5013331657636522
Energy: 0.4350973610014656
Energy: 0.4301191959075557
Energy: 0.5008714120441562
Energy: 0.4871830578567927
Energy: 0.4870371545042572
Energy: 0.48424625141228284
Energy: 0.49783709302590773
Energy: 0.48682241633930684
Energy: 0.4253393529579378
Energy: 0.4867029077046945
Energy: 0.48525006286492334
Energy: 0.41907480012761805
Energy: 0.4880687803547688
Energy: 0.4188699208335046
Energy: 0.4199389318612558
Energy: 0.4814212868629133
Energy: 0.4817107549745775
Energy: 0.4199512247435819
Energy: 0.42125006867541925
Energy: 0.48209732301740166
Energy: 0.4939165603058375
Energy: 0.4563386989284551
Energy: 0.4807188032996367
Energy: 0.45353344274438573
Energy: 0.4547716723271437
Energy: 0.4810356411782293
Energy: 0.4974677200998783
Energy: 0.4191074694303198
Energy: 0.41887099976666325
Energy: 0.498590115364978
Energy: 0.4244583959926202
Energy: 0.41915035898803227
Energy: 0.4973827729627095
Energy: 0.48376512445780967
Energy: 0.486860239832589
Energy: 0.49717578698865567
Energy: 0.5019720743002101
Energy: 0.4855181989731497
Energy: 0.4333811247269038
Energy: 0.48400372375715967
Energy: 0.4845479660849249
Energy: 0.43110099455417267
Energy: 0.48531388456854835
Energy: 0.42998279328468253
Energy: 0.4300935562874099
Energy: 0.49800793835190293
Energy: 0.4981552959400728
Energy: 0.4301338177998627
Energy: 0.4532776344067124
Energy: 0.495736651899241
Energy: 0.5040750402170144
Energy: 0.4526316224637872
Energy: 0.4801321527423505
Energy: 0.4634832495363033
Energy: 0.45240161750101493
Energy: 0.48624588601168794
Energy: 0.5230996273195067
Energy: 0.45113543889283064
Energy: 0.4509278799074137
Energy: 0.5229065825607107
Energy: 0.4569456577977601
Energy: 0.4513485872879492
Energy: 0.5179093266739067
Energy: 0.5000669074582071
Energy: 0.5002852123887642
Energy: 0.5191607982657224
Energy: 0.4811395948921491
Energy: 0.5137087626856043
Energy: 0.4859888804835265
Energy: 0.49975184532120837
Energy: 0.4999826705108073
Energy: 0.4854567934158845
Energy: 0.5208064251798721
Energy: 0.4963988952440541
Energy: 0.46175211268237043
Energy: 0.5366175894229794
Energy: 0.5355649765883002
Energy: 0.4617351270178495
Energy: 0.47897463183641037
Energy: 0.5359812884076239
Energy: 0.5130812132213517
Energy: 0.5196349817954793
Energy: 0.510901564327715
Energy: 0.4319124962922886
Energy: 0.519987285686296
Energy: 0.49451910683737893
Energy: 0.4844836731385117
Energy: 0.5235996787670474
Energy: 0.5238575858322952
Energy: 0.4846614120823031
Energy: 0.5244625718607168
Energy: 0.5320739557927626
Energy: 0.5213806332832505
Energy: 0.5119791434116312
Energy: 0.5125046394044823
Energy: 0.5216181201232126
Energy: 0.48595931935335884
Energy: 0.5126683352060815
Energy: 0.5560180138128851
Energy: 0.510080075542986
Energy: 0.5407500499242412
Energy: 0.5375593701605118
Energy: 0.48783860665019174
Energy: 0.5419457350734798
Energy: 0.4865708585007057
Energy: 0.5185933571420605
Energy: 0.517801061218369
Energy: 0.48637468460335154
Energy: 0.5237966663120343
Energy: 0.514057928094818

minimum gb energy = 0.4188699208335046 eV
minimum distance =  2.35335054967762 Angstroms
sigma value = 67


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

Energy: 0.6622251894764483
Energy: 0.6586048327516669
Energy: 0.6515298080446528
Energy: 0.5515002211091661
Energy: 0.6596331634105581
Energy: 0.6551823597192301
Energy: 0.6763560471229249
Energy: 0.653663203363204
Energy: 0.6460072562100737
Energy: 0.6514892114801285
Energy: 0.6533111130503297
Energy: 0.6486854910913749
Energy: 0.6703203827154974
Energy: 0.627601859237674
Energy: 0.6463082005605948
Energy: 0.6507301548306622
Energy: 0.6285782822441709
Energy: 0.6425405980898485
Energy: 0.6195558373645007
Energy: 0.6431399571177393
Energy: 0.6427534557492182
Energy: 0.6195850485132978
Energy: 0.6370787825346785
Energy: 0.6421049082542702
Energy: 0.6131460743164576
Energy: 0.6538207767021585
Energy: 0.6508149371949421
Energy: 0.6134622656038979
Energy: 0.6544438470607504
Energy: 0.6490443458896876
Energy: 0.6225887718482609
Energy: 0.6443702478050038
Energy: 0.6299075578787378
Energy: 0.5686308233698968
Energy: 0.6444038001531311
Energy: 0.6290296790036205
Energy: 0.6236875009201841
Energy: 0.6212061487049796
Energy: 0.6187995891841745
Energy: 0.6224439168436163
Energy: 0.6189682343056054
Energy: 0.6175061828637801
Energy: 0.6206447752451459
Energy: 0.6099299022777415
Energy: 0.615109075549215
Energy: 0.6154545591972159
Energy: 0.5417998379962939
Energy: 0.6172532368925535
Energy: 0.6301732304955119
Energy: 0.6341153957226824
Energy: 0.6368723499955521
Energy: 0.6321941219855823
Energy: 0.5687303016784294
Energy: 0.636688762692873
Energy: 0.6334214117579711
Energy: 0.5721533014230765
Energy: 0.5689579893185368
Energy: 0.6336974898829477
Energy: 0.5706118286559654
Energy: 0.5689559360662618
Energy: 0.6302231050370419
Energy: 0.6163015926539533
Energy: 0.6156542859400487
Energy: 0.5423084602132265
Energy: 0.6162297077745729
Energy: 0.6164649360688068
Energy: 0.5468400348775105
Energy: 0.61210597388545
Energy: 0.6123459212036204
Energy: 0.546565743128928
Energy: 0.5715305828334347
Energy: 0.5409631154529386
Energy: 0.5486004399595684
Energy: 0.6070350814911566
Energy: 0.6057420163826667
Energy: 0.5414989150480616
Energy: 0.5441320167293658
Energy: 0.5413397642087696
Energy: 0.6139409199435973
Energy: 0.6077336646175047
Energy: 0.6052538717396991
Energy: 0.542437773410711
Energy: 0.582118881108916
Energy: 0.6044042264229652
Energy: 0.6159356380023384
Energy: 0.54466447676263
Energy: 0.5490125156492706
Energy: 0.616099459226797
Energy: 0.5435803475096959
Energy: 0.541750410697436
Energy: 0.6164579923177264
Energy: 0.6174181817770819
Energy: 0.6139128668838372
Energy: 0.5709268964546282
Energy: 0.5896188146475797
Energy: 0.6119217503921611
Energy: 0.5736985080539835
Energy: 0.6080037259539358
Energy: 0.6044980700328775
Energy: 0.5742244146517529
Energy: 0.5365140126528247
Energy: 0.5684708086665808
Energy: 0.568725609282839
Energy: 0.6339654266931332
Energy: 0.6377450224798695
Energy: 0.5691412574710335
Energy: 0.6340082200656906
Energy: 0.6113928805087848
Energy: 0.6138383768703192
Energy: 0.6311405651126101
Energy: 0.6207256606961252
Energy: 0.550085243192895
Energy: 0.631087813271147
Energy: 0.620557605327563
Energy: 0.6235465610343955
Energy: 0.6259945690697143
Energy: 0.618983263089001
Energy: 0.6237846581541305
Energy: 0.61953750593068
Energy: 0.6170248188922269
Energy: 0.6174454603070272
Energy: 0.642332705450291
Energy: 0.6398889142163292
Energy: 0.6176166380877268
Energy: 0.6161345882351683
Energy: 0.6417733402899692
Energy: 0.669791299895047
Energy: 0.6151541999705576
Energy: 0.6401861989223098
Energy: 0.6506624236285644
Energy: 0.6151231011202949
Energy: 0.6415030077818685
Energy: 0.6354954263606764
Energy: 0.6199463116159007
Energy: 0.6262333213896444
Energy: 0.6359657838590373
Energy: 0.6178484567253776
Energy: 0.6175045314174586

minimum gb energy = 0.5365140126528247 eV
minimum distance =  2.34850767767054 Angstroms
sigma value = 33


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

Energy: 0.7653274362039151
Energy: 0.7452515415196765
Energy: 0.7617745889815027
Energy: 0.7443187846316229
Energy: 0.7455912380179753
Energy: 0.7222560391556062
Energy: 0.7723475063692724
Energy: 0.6795454728725857
Energy: 0.6793829790990544
Energy: 0.677340278147471
Energy: 0.7460941010041476
Energy: 0.635515807119195
Energy: 0.7574747544897863
Energy: 0.670773835429251
Energy: 0.7180053191340916
Energy: 0.7299793904691756
Energy: 0.6776282571281772
Energy: 0.6801629755873491
Energy: 0.6806813127566089
Energy: 0.7018649627769203
Energy: 0.7179743159991596
Energy: 0.6807841611604231
Energy: 0.7283971670879297
Energy: 0.7190529183742017
Energy: 0.6792885887722193
Energy: 0.682231126847221
Energy: 0.6280523166300678
Energy: 0.6791107937020976
Energy: 0.6817954426493789
Energy: 0.6341587621830691
Energy: 0.7144332972732572
Energy: 0.6280814729560397
Energy: 0.6274492895771911
Energy: 0.6291945101232328
Energy: 0.627410166478475
Energy: 0.6363658512194009
Energy: 0.6793500538606649
Energy: 0.6290668654514249
Energy: 0.6280224425615718
Energy: 0.6794536085254017
Energy: 0.6282260956677796
Energy: 0.6790936241819875
Energy: 0.6805357273527248
Energy: 0.6253683961840057
Energy: 0.6416542777581007
Energy: 0.6804115876106737
Energy: 0.6303861430295408
Energy: 0.6337497437431865
Energy: 0.6991300478873571
Energy: 0.6778510800482535
Energy: 0.7058267362743438
Energy: 0.6345034694567117
Energy: 0.6282164639628829
Energy: 0.7025282495303518
Energy: 0.6991914598426285
Energy: 0.6309947780429497
Energy: 0.6269895675286477
Energy: 0.7001857023989392
Energy: 0.6272819490466008
Energy: 0.6266692131092892
Energy: 0.664283460985196
Energy: 0.6722277700768473
Energy: 0.6876608132799397
Energy: 0.6293857028479514
Energy: 0.6646346840714031
Energy: 0.6860818159937617
Energy: 0.6259214529645736
Energy: 0.6278632460731719
Energy: 0.6289644925220366
Energy: 0.6257740944220506
Energy: 0.6383212664121355
Energy: 0.6261968338057339
Energy: 0.6264051352084812
Energy: 0.7032978321386897
Energy: 0.7037645500598982
Energy: 0.6263932211026659
Energy: 0.6354423572918194
Energy: 0.6264376312538814
Energy: 0.6137565187573776
Energy: 0.6330311553029446
Energy: 0.6995374489205243
Energy: 0.6144209653066035
Energy: 0.699246646962232
Energy: 0.6844070886640877
Energy: 0.7090025710053822
Energy: 0.6831736318295978
Energy: 0.6331857257322283
Energy: 0.6120324874235319
Energy: 0.680120028202664
Energy: 0.6776192150275128
Energy: 0.6735574893496682
Energy: 0.611473673405943
Energy: 0.610526943252787
Energy: 0.6743970187059248
Energy: 0.6379157322674741
Energy: 0.6739347026170375
Energy: 0.7595851788638702
Energy: 0.6375091950547273
Energy: 0.6113195508380365
Energy: 0.7303149626100124
Energy: 0.6424893814150814
Energy: 0.6106140506312712
Energy: 0.7597187217137182
Energy: 0.6808296673876592
Energy: 0.6791418570733154
Energy: 0.6766857110765138
Energy: 0.6799931503997269
Energy: 0.7279984042979298
Energy: 0.7173138489164931
Energy: 0.7315740716926193
Energy: 0.7346440501253084
Energy: 0.6429544489752064
Energy: 0.7315367725479334
Energy: 0.7048051246981332
Energy: 0.7112022590580793
Energy: 0.6821377906250222
Energy: 0.6827725447652061
Energy: 0.7117141663538172
Energy: 0.6818867132750535
Energy: 0.6341809285542789
Energy: 0.7609554875419783
Energy: 0.7121313735068637
Energy: 0.6297385929148086
Energy: 0.7314363047164941
Energy: 0.6845278639011586
Energy: 0.6296107743412138
Energy: 0.7326077932364911
Energy: 0.6711218876753074
Energy: 0.7180441659681032
Energy: 0.7321828886101077
Energy: 0.6711756284156855
Energy: 0.7195219625479219
Energy: 0.6791673116725874
Energy: 0.6827485344245484
Energy: 0.6345710482085554
Energy: 0.6793940410670538
Energy: 0.6823622473974567
Energy: 0.6783002634962546
Energy: 0.714302358538463
Energy: 0.6272396019549256
Energy: 0.627621692258556
Energy: 0.6253757311685686
Energy: 0.6266788572119469
Energy: 0.694482389380551
Energy: 0.678835000511156
Energy: 0.628183182425414
Energy: 0.6277991515835495
Energy: 0.6789874762547544
Energy: 0.6281966103259087
Energy: 0.7243247171797875
Energy: 0.6840259515878665
Energy: 0.6256280896304028
Energy: 0.7021450688564985
Energy: 0.6803537436569078
Energy: 0.6297157009735773
Energy: 0.6351337688956166
Energy: 0.6984485364625874
Energy: 0.6767976071032452
Energy: 0.7069085233927092
Energy: 0.7017486811204084
Energy: 0.6425298413540719
Energy: 0.7034137231676452
Energy: 0.6991419905108439
Energy: 0.6268107674522865
Energy: 0.6268969197242413
Energy: 0.7000774036333157
Energy: 0.6277100815992399
Energy: 0.6265040657541716
Energy: 0.6630624027849251
Energy: 0.6656253453452874
Energy: 0.6844501546323853
Energy: 0.6302033031621317
Energy: 0.6635378027011106
Energy: 0.6879986868988373
Energy: 0.6257863199418645
Energy: 0.6270412944888593
Energy: 0.6286435685782527
Energy: 0.6258482960747129
Energy: 0.6405839611782043
Energy: 0.6263876938379858
Energy: 0.6286020234939887
Energy: 0.701502357863711
Energy: 0.6695062541513835
Energy: 0.6267221936949625
Energy: 0.6345832020196683
Energy: 0.626269269027959
Energy: 0.6112530888960968
Energy: 0.6325559930504623
Energy: 0.6987827190326783
Energy: 0.6145899399330021
Energy: 0.7031262810901298
Energy: 0.6850250535108839
Energy: 0.7031405914658929
Energy: 0.6841011991526229
Energy: 0.6363537139808797
Energy: 0.6130258666988698
Energy: 0.681010142440781
Energy: 0.6741404367667092
Energy: 0.6733720041755407
Energy: 0.7157662511639047
Energy: 0.6730162069590707
Energy: 0.6336859858201189
Energy: 0.6383126170026509
Energy: 0.6727729084555284
Energy: 0.8000935285961914
Energy: 0.637693049981144
Energy: 0.6112126779737871
Energy: 0.7329576498094089
Energy: 0.6151355624618075
Energy: 0.610824805066603
Energy: 0.7635665861391658
Energy: 0.6822966064439442
Energy: 0.6326448995635972
Energy: 0.6823989638675332
Energy: 0.6822417617853328
Energy: 0.6325693580321914
Energy: 0.7175995586956161
Energy: 0.731424006156317
Energy: 0.7340747113716035
Energy: 0.6407872044938618
Energy: 0.731393351533803
Energy: 0.7040020621482287

minimum gb energy = 0.610526943252787 eV
minimum distance =  2.36729693713133 Angstroms
sigma value = 41


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

Energy: 0.8735925171819228
Energy: 0.7714415593320498
Energy: 0.8402948300918548
Energy: 0.7380287438073271
Energy: 0.7714452907173508
Energy: 0.8391069398983049
Energy: 0.8758761316746474
Energy: 0.775697671481471
Energy: 0.7768288312069068
Energy: 0.7733148312394728
Energy: 0.7749481124604293
Energy: 0.7525403957092994
Energy: 0.8781669308652371
Energy: 0.737135039309314
Energy: 0.7347871939844821
Energy: 0.7737744779473258
Energy: 0.7404143382095605
Energy: 0.7367936429427343
Energy: 0.7768967037326011
Energy: 0.737351023021387
Energy: 0.735380501954027
Energy: 0.7772115036904855
Energy: 0.7385761134940217
Energy: 0.761721207678299
Energy: 0.7608196386217405
Energy: 0.776594529603825
Energy: 0.7544757231298872
Energy: 0.7610637805235335
Energy: 0.7761053489083
Energy: 0.7376578201999937
Energy: 0.7745865692006693
Energy: 0.7788053041766675
Energy: 0.7369828670027204
Energy: 0.7634045155376493
Energy: 0.7786428251945686
Energy: 0.7362314259079491
Energy: 0.7596641132563288
Energy: 0.7397091397724074
Energy: 0.7510040894053991
Energy: 0.7597136087392208
Energy: 0.738133564207257
Energy: 0.740278087257829
Energy: 0.7635763543823881
Energy: 0.7388325603915016
Energy: 0.7372962922500285
Energy: 0.7644887730820307
Energy: 0.7646642374279009
Energy: 0.7643645406756242
Energy: 0.8038832247398705
Energy: 0.7385320566446951
Energy: 0.7365749822191922
Energy: 0.8037586662497515
Energy: 0.7813679927301977
Energy: 0.7366132195169764
Energy: 0.777975554069921
Energy: 0.7647139193670072
Energy: 0.772389135541792
Energy: 0.7664089160162046
Energy: 0.7608614604630326
Energy: 0.7365192989311784
Energy: 0.8304178223590611
Energy: 0.7741441714541286
Energy: 0.7407671255982935
Energy: 0.8296987646168933
Energy: 0.7232344731040117
Energy: 0.7401175102854455
Energy: 0.8825482928749341
Energy: 0.7228805950983308
Energy: 0.7234241059134702
Energy: 0.8836562172614474
Energy: 0.7226096784281087
Energy: 0.7742046140692947
Energy: 0.8812140694218946
Energy: 0.7628378024911671
Energy: 0.7528643966155799
Energy: 0.7740793351821591
Energy: 0.7637867362775904
Energy: 0.7523787104642562
Energy: 0.7217936239663046
Energy: 0.7751887948189993
Energy: 0.728375902478825
Energy: 0.7264648158243413
Energy: 0.7751776984334909
Energy: 0.724673395239209

minimum gb energy = 0.7217936239663046 eV
minimum distance =  2.35491113190312 Angstroms
sigma value = 11


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

Energy: 0.8515464736495718
Energy: 0.9290897868749864
Energy: 0.9067689939893407
Energy: 0.884417987506079
Energy: 0.8832903937346149
Energy: 0.8602554126666608
Energy: 1.0087756225459372
Energy: 0.8557268200307158
Energy: 0.8588068997417881
Energy: 0.892628771086704
Energy: 0.8549834068888307
Energy: 0.8841989306224758
Energy: 1.0088449605558274
Energy: 0.8577975177453128
Energy: 0.862401751745206
Energy: 0.8614613187467659
Energy: 0.8584926553625996
Energy: 0.875450913149661
Energy: 0.884457489951075
Energy: 0.8487223096269941
Energy: 0.8795926210188024
Energy: 0.857882196550657
Energy: 0.8509675785049232
Energy: 0.8791813409543208
Energy: 0.8789876997603345
Energy: 0.8567404646306863
Energy: 0.8570054160066581
Energy: 0.8644985158927908
Energy: 0.8594840695624565
Energy: 0.8849493623414268
Energy: 0.9011127812981609
Energy: 0.8630426961316595
Energy: 0.8664356771658814
Energy: 0.8566935682703553
Energy: 0.8726182055926097
Energy: 0.8709885407279956
Energy: 0.8728556500836402
Energy: 0.8661872475955452
Energy: 0.8663808804910135
Energy: 0.8727976512878041
Energy: 0.8742586724880563
Energy: 0.8706032955819913
Energy: 0.8707948372538072
Energy: 0.8572758415887947
Energy: 0.8840630108786031
Energy: 0.8569398840886148
Energy: 0.8992964794730699
Energy: 0.8582670835968889
Energy: 0.8504905839877408
Energy: 0.8753024327824918
Energy: 0.879942382160742
Energy: 0.8451403132509431
Energy: 0.8635477138443052
Energy: 0.8469554894570056
Energy: 0.8503981215077193
Energy: 0.8749906677275965
Energy: 0.8804139599543892
Energy: 0.8472680962774729
Energy: 0.8616063579212794
Energy: 0.850922641801224
Energy: 0.8711808172006142
Energy: 0.8591499398800206
Energy: 0.8850061025879313
Energy: 0.8570153625942604
Energy: 0.8610158945693562
Energy: 0.8577662236978356
Energy: 0.8564350056066
Energy: 0.8550838855321078
Energy: 0.8616883595214447
Energy: 0.8567683040515722
Energy: 0.8612970336180651
Energy: 0.8714440976309289
Energy: 0.8550489295208531
Energy: 0.8574604547683917
Energy: 0.8571370272294152
Energy: 0.8548782076628234
Energy: 0.8652325718172008
Energy: 0.8856273127729254
Energy: 0.8704654308533839
Energy: 0.8739563341959549
Energy: 0.8689964983900087
Energy: 0.8584530784724972
Energy: 0.8933522280182286
Energy: 0.8633989000145477
Energy: 0.8495983068291583
Energy: 0.8568916016554906
Energy: 0.8781007603099087
Energy: 0.8539433386285682
Energy: 0.8586311331231032
Energy: 0.8785281774101027
Energy: 0.8496587967469493
Energy: 0.8561639055523549
Energy: 0.8796159960840391
Energy: 0.8507621355923869
Energy: 0.8588391819389443
Energy: 0.8493110887590826
Energy: 0.8487710551597061
Energy: 0.8536227114865137
Energy: 0.8810243729180033
Energy: 0.8491818011269424
Energy: 0.8546304503392615
Energy: 0.8719495135904345
Energy: 0.8872754394528511
Energy: 0.8734771466649313
Energy: 0.8938087141063699
Energy: 0.8583780248015945
Energy: 0.9228722963703732
Energy: 0.8590122676537331
Energy: 0.8646105727549981
Energy: 0.8542507432527411
Energy: 0.8534854965906641
Energy: 0.8651567761641352
Energy: 0.8544759691978604
Energy: 0.8816418272988431
Energy: 0.8746940258728226
Energy: 0.8475125623344738
Energy: 0.8592599673451159
Energy: 0.8601202719821709
Energy: 0.8514007278660118
Energy: 0.8731941034003757
Energy: 0.9285031933311599
Energy: 0.8507982958917454
Energy: 0.8737956322818035
Energy: 0.8574441043080541
Energy: 0.8510662506095876
Energy: 0.8567145798163117
Energy: 0.8903577667060306
Energy: 0.8569213821155377
Energy: 0.8560846661305048
Energy: 0.8707274590415351
Energy: 0.857904074395066
Energy: 0.8711128611498311
Energy: 0.8711056895787351
Energy: 0.8691574194384601
Energy: 0.8740043572920286
Energy: 0.8582137277702234
Energy: 0.8600600549289651
Energy: 0.8620969232364628
Energy: 0.92542590480156
Energy: 0.8652638983383896
Energy: 0.8725998221773509
Energy: 0.8658723764295989
Energy: 0.8613750629834972
Energy: 0.8532747763568348
Energy: 0.9212400203355022
Energy: 0.8578928190267298
Energy: 0.8719921814241506
Energy: 0.9222815658098081
Energy: 0.8557554574929307
Energy: 0.8614248762586831
Energy: 0.9193298920961682
Energy: 0.8637560741219378
Energy: 0.8791156256755461
Energy: 0.8584368245561788
Energy: 0.8532736232791516
Energy: 0.8792292330059365
Energy: 0.8984579189915896
Energy: 0.8550574297890533
Energy: 0.8494752899961671
Energy: 0.8587689050177396
Energy: 0.8510781665976037
Energy: 0.8787587581704973
Energy: 0.8987490626649967
Energy: 0.8505203993162525
Energy: 0.879031687994099
Energy: 0.8583397999572204
Energy: 0.8538121852674273
Energy: 0.8782101284417178
Energy: 0.9125929711978217
Energy: 0.8596812570262209
Energy: 0.8606894029453424
Energy: 0.8588749526154559
Energy: 0.8813441788049555
Energy: 0.8678698787489351
Energy: 1.0080706753446216
Energy: 0.8554623915621343
Energy: 0.8839818216838706
Energy: 0.8657451546111666
Energy: 0.8551163055736365
Energy: 0.8786911382169666
Energy: 0.8848000687620189
Energy: 0.8585114110106485
Energy: 0.871513987823313
Energy: 0.8519158913292831
Energy: 0.8575558397191373
Energy: 0.8589502260917522

minimum gb energy = 0.8451403132509431 eV
minimum distance =  2.34926791011147 Angstroms
sigma value = 57


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

Energy: 1.1842159314649836
Energy: 0.8749459404629971
Energy: 0.9652870116488422
Energy: 0.9615595516765636
Energy: 1.271357987428954
Energy: 0.9635063842338123
Energy: 0.916087254724466
Energy: 0.8742375804522019
Energy: 0.871476577410027
Energy: 0.8801894135704669
Energy: 0.8783489859273237
Energy: 0.8687205246645495
Energy: 0.9143992480416411
Energy: 0.8908238953054041
Energy: 0.8889489593507054
Energy: 0.9153194842951294
Energy: 0.8752045039467113
Energy: 0.8725997885064152
Energy: 0.8724514025739915
Energy: 0.8764656677183411
Energy: 0.8677969005816764
Energy: 0.8735667402804604
Energy: 0.8713248010761435
Energy: 0.8688592638595919
Energy: 0.8773992667205367
Energy: 0.876055463777595
Energy: 0.8718271788477358
Energy: 0.8743631229669816
Energy: 0.8737846991194257
Energy: 0.869332713825729
Energy: 0.8744140062892828
Energy: 0.8800338638137518
Energy: 0.8779573704595699
Energy: 0.8779587399240258
Energy: 0.9163455255945627
Energy: 0.8715830499049982
Energy: 0.9130156768203074
Energy: 0.8891695820715887
Energy: 0.8942876353145078
Energy: 0.9140214114442642
Energy: 0.8853424689908438
Energy: 0.9339390115964773
Energy: 0.9553543169571426
Energy: 0.8762046482217547
Energy: 0.8725306462426466
Energy: 0.8767188244116535
Energy: 0.8749139043951631
Energy: 0.8679210130220865
Energy: 0.8512762344154591
Energy: 0.8751157247680631
Energy: 0.8891735190888913
Energy: 0.8557380845980048
Energy: 0.8723237535000914
Energy: 0.8912225617719604
Energy: 0.8506239263549096
Energy: 0.8744255311491299
Energy: 0.8893716976099012
Energy: 0.8551050518110728
Energy: 0.8734348195278924
Energy: 0.8524344902730443
Energy: 0.9133753967252844
Energy: 0.8773785950275852
Energy: 0.880636647951887
Energy: 0.8770175378297513
Energy: 0.8751804033760382
Energy: 0.868343704791658
Energy: 0.9042556198998615
Energy: 0.8920424387951665
Energy: 0.8893373890624319
Energy: 0.9044258493126105
Energy: 0.8937659011382362
Energy: 0.8755624835191996
Energy: 0.880856395819048
Energy: 0.8738969741589179
Energy: 0.8993021967151823
Energy: 0.8797388163672654
Energy: 0.8774690415134326
Energy: 0.8680016583492371
Energy: 0.8734882965681832
Energy: 0.9153248619683129
Energy: 0.8749876875561923
Energy: 0.8780324483871886
Energy: 0.9158765568836312
Energy: 0.8772588249331938
Energy: 0.8781945330660507
Energy: 0.8866333836724003
Energy: 0.8697153285652234
Energy: 0.8764323249068032
Energy: 0.8862748509749807
Energy: 0.8680878628677716
Energy: 0.9163396391510045
Energy: 0.8871473610093026
Energy: 0.8869323182946978
Energy: 0.9142285794704028
Energy: 0.8867417230595289
Energy: 0.8781657935836981
Energy: 0.8507042565009896
Energy: 0.8800729817234968
Energy: 0.8712569562828941
Energy: 0.8513052174624369
Energy: 0.8787897378037642
Energy: 0.8723353629179711

minimum gb energy = 0.8506239263549096 eV
minimum distance =  2.35843208471173 Angstroms
sigma value = 9


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

Energy: 1.449161362267984
Energy: 0.9418241960892048
Energy: 0.9250527030165776
Energy: 0.9235452765854361
Energy: 1.3640669460964239
Energy: 0.9237275653187453
Energy: 0.9309058201321588
Energy: 0.9172008636564737
Energy: 0.9188833293274866
Energy: 0.9146915894292008
Energy: 0.9395081308913179
Energy: 0.9174014128062922
Energy: 0.925473434016203
Energy: 0.9243415989934898
Energy: 0.9213813209000555
Energy: 0.905354344863142
Energy: 0.9141401108800832
Energy: 0.9187083423583007
Energy: 0.9110461497592958
Energy: 0.915995859154179
Energy: 0.9307935942615208
Energy: 0.9137533593919634
Energy: 0.913913532507189
Energy: 0.9290349448465512
Energy: 0.9504013407020047
Energy: 0.8915252980417048
Energy: 0.8887802734336309
Energy: 0.8873032787813043
Energy: 0.8878467108489746
Energy: 0.8876329980580981
Energy: 0.9218689573991671
Energy: 0.9172849583624441
Energy: 0.9153240629983347
Energy: 0.9227445419080921
Energy: 0.9204412251997776
Energy: 0.9154621828666476
Energy: 0.9055268260903335
Energy: 0.9159316947717832
Energy: 0.9077122442406858
Energy: 0.8866916664814877
Energy: 0.9193389703506891
Energy: 0.9169815969826413
Energy: 0.9417339224911573
Energy: 0.9157330885108049
Energy: 0.9195811501744482
Energy: 0.9065499584657184
Energy: 0.9148053934297645
Energy: 0.9201957586547723
Energy: 0.961119856757169
Energy: 0.8911380958751208
Energy: 0.8895391133764277
Energy: 0.9373505362190032
Energy: 0.8879616717093199
Energy: 0.9203063680079557
Energy: 0.9609013789378559
Energy: 0.8895524710380187
Energy: 0.8870231244667725
Energy: 0.9374027959802875
Energy: 0.9069458640440694
Energy: 0.8868911748816098
Energy: 0.9416717052029416
Energy: 0.9040519637774492
Energy: 0.9033021761169441
Energy: 0.9082161185954397
Energy: 0.9022224105473969
Energy: 0.8886635924874123
Energy: 0.9468762691846154
Energy: 0.9160810517647522
Energy: 0.9225154445626776
Energy: 0.926983910700365
Energy: 0.9144531138646526
Energy: 0.9168089762313892
Energy: 0.9609819347225591
Energy: 0.9162187013837643
Energy: 0.9168171465205412
Energy: 0.9275382252707935
Energy: 0.9133604331199552
Energy: 0.914948319082807
Energy: 0.9474003721337358
Energy: 0.9143655830252109
Energy: 0.9157612732492569
Energy: 0.9278037668876267
Energy: 0.9148332846573712
Energy: 0.9284621345688469
Energy: 0.9410209139264338
Energy: 0.9029879650906368
Energy: 0.8862962375771533
Energy: 0.9266311946423995
Energy: 0.9009470217767125
Energy: 0.8905096347041628
Energy: 0.925686943255917
Energy: 0.9276461955265782
Energy: 0.885384642821169
Energy: 0.926288530630775
Energy: 0.93548815770641
Energy: 0.8855403620003
Energy: 0.9317785546500494
Energy: 0.9272815133338463
Energy: 0.9294417608341419
Energy: 0.9334870096247632
Energy: 0.9132599862186368
Energy: 0.9155654268919036
Energy: 1.0297311095434305
Energy: 0.9159296931694464
Energy: 0.8875921673695104
Energy: 0.8915439530510021
Energy: 0.9326153665139245
Energy: 0.8878584979600161
Energy: 0.9266796923859477
Energy: 0.91498115187132
Energy: 0.9230310476029779
Energy: 0.9269147500383682
Energy: 0.9088616334540547
Energy: 0.9195658225829425
Energy: 0.9259244585531212
Energy: 0.9299933391169235
Energy: 0.9242710003614912
Energy: 0.8871264514802786
Energy: 0.9145261289482085
Energy: 0.9194727882435937
Energy: 0.9310175682720678
Energy: 0.8890179875462909
Energy: 0.9175236414981829
Energy: 0.9145762971010032
Energy: 0.9299329560275122
Energy: 0.8866018918799335

minimum gb energy = 0.885384642821169 eV
minimum distance =  2.35676062934733 Angstroms
sigma value = 27


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

Energy: 1.3022087727490188
Energy: 1.2175513830202491
Energy: 0.8869376796884241
Energy: 0.8894735976018978
Energy: 1.2125257150029602
Energy: 0.9366583997921065
Energy: 1.0744935564639695
Energy: 0.9068134072135617
Energy: 0.9515266065869452
Energy: 0.8766744231392344
Energy: 0.9078478204286624
Energy: 0.9314362590176442
Energy: 1.0066725376912071
Energy: 0.889644071112002
Energy: 0.9267931182003987
Energy: 0.8785654053936868
Energy: 0.9265920988554476
Energy: 0.8929022302319459
Energy: 1.0418170656352987
Energy: 0.9075781519331093
Energy: 0.8923144432889892
Energy: 0.9769891936899018
Energy: 0.9240081858406154
Energy: 0.9633093098744622
Energy: 0.9323199899646077
Energy: 0.9299498297811295
Energy: 0.9651951670351072
Energy: 0.9308976674541024
Energy: 0.9295700916531989
Energy: 0.9119299727863243
Energy: 1.0145972468571567
Energy: 0.9652705532227114
Energy: 0.9643808900555193
Energy: 0.9586134531785269
Energy: 0.9593860710954618
Energy: 0.9630796366846602
Energy: 1.0064022069960696
Energy: 0.9281078457883561
Energy: 0.9333793847285975
Energy: 0.8824450794956448
Energy: 0.9277431860292165
Energy: 0.9304135407775593
Energy: 0.9941611370924106
Energy: 0.9329718586705483
Energy: 0.9847386508130993
Energy: 0.9784927149151396
Energy: 0.9281105806148057
Energy: 0.9821493958082064
Energy: 0.988161421692168
Energy: 0.9761806945974008
Energy: 0.9643009398141451
Energy: 0.9592017231515272
Energy: 0.973749084835452
Energy: 0.9634246069035063
Energy: 0.9883861539916348
Energy: 0.9356471889865524
Energy: 0.9363132374361195
Energy: 0.959836573485196
Energy: 0.9357389785615609
Energy: 0.943264202941161
Energy: 0.9918565163953575
Energy: 0.9658488813619402
Energy: 0.964396152038523
Energy: 0.9718779685013507
Energy: 0.9167506840267299
Energy: 0.9628078703017093
Energy: 0.9676628989356693
Energy: 0.9397495273745867
Energy: 0.9367869902080515
Energy: 0.9342517714849086
Energy: 0.9373389581106789
Energy: 0.9355736919796678
Energy: 1.0681064731337007
Energy: 0.9727821260150423
Energy: 0.9373463551367126
Energy: 0.93258811410448
Energy: 0.9699328921634978
Energy: 0.9376611684844122
Energy: 1.02982561282499
Energy: 0.9366747624747824
Energy: 0.9352809304381438
Energy: 0.9324450875045701
Energy: 0.9354900353136234
Energy: 0.932515403701986
Energy: 0.965276677897925
Energy: 0.9358810194239746
Energy: 0.9340128513152336
Energy: 0.9370878769152573
Energy: 0.9347029106892429
Energy: 0.9359113925566452
Energy: 0.9651073702709657
Energy: 0.9401214451227322
Energy: 0.9387540850100516
Energy: 0.9531308030107644
Energy: 0.9342602445968344
Energy: 0.9627476435445784
Energy: 0.9447335975031244
Energy: 0.9325942743043589
Energy: 0.932910901553176
Energy: 0.9437398432580654
Energy: 0.9334296744982192
Energy: 0.9328761940102084
Energy: 0.9715924188513667
Energy: 0.9688251253888063
Energy: 0.9631723806493379
Energy: 0.9635974126703527
Energy: 0.9769345464975112
Energy: 0.9617392160338533
Energy: 0.9779666633284373
Energy: 0.9328223973266296
Energy: 0.9356699661682176
Energy: 0.9776416119432175
Energy: 0.9156497849235314
Energy: 0.93245689963265
Energy: 1.0190274873843368
Energy: 0.9189725345962174
Energy: 0.9348153201058046
Energy: 0.8896936600732608
Energy: 0.9159195895126315
Energy: 0.9318053596920727
Energy: 0.9864949565719014
Energy: 0.9646796753897523
Energy: 0.9663226156708589
Energy: 0.9600103162067044
Energy: 0.9681705105081273
Energy: 0.9621039368073973
Energy: 0.9259459249562161
Energy: 0.9594052047267617
Energy: 0.9261761171350611
Energy: 0.9263002027439268
Energy: 0.9510747786940608
Energy: 0.9300321503846218
Energy: 0.9908179786404149
Energy: 0.9100471612486724
Energy: 0.9073950922765295
Energy: 0.8764703428491158
Energy: 0.8870269795073205
Energy: 0.9865818838101009
Energy: 1.0043057259412835
Energy: 0.8933417458178233
Energy: 0.9105959255824198
Energy: 0.8782191302737895
Energy: 0.9120900566540797
Energy: 0.90297528546887
Energy: 1.0162283063803066
Energy: 0.9552024986796488
Energy: 0.9093035135982724
Energy: 0.8914991641908365
Energy: 0.9090999273455233
Energy: 0.9134109390970157

minimum gb energy = 0.8764703428491158 eV
minimum distance =  2.26999197080748 Angstroms
sigma value = 19


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

Energy: 0.9292803486124028
Energy: 0.9121229943434899
Energy: 0.8997841690995172
Energy: 0.8856388624628779
Energy: 0.9185392547124345
Energy: 0.8637419312418793
Energy: 0.9071484645342625
Energy: 0.8749908055983087
Energy: 0.8703659931717873
Energy: 0.87357469222241
Energy: 0.8750715473000581
Energy: 0.8731523682273027
Energy: 0.9069314660615205
Energy: 0.8734722189834057
Energy: 0.875000582834434
Energy: 0.8829060229844168
Energy: 0.8763139278224367
Energy: 0.8716660428983561
Energy: 0.9039912727876717
Energy: 0.87625727895534
Energy: 0.8743356474163598
Energy: 0.8745274058577412
Energy: 0.8732513388724918
Energy: 0.8746976260321132
Energy: 0.8977667627455048
Energy: 0.8756306436463773
Energy: 0.8764058977460775
Energy: 0.880448084546409
Energy: 0.8833450816532291
Energy: 0.8779726935447792
Energy: 0.9159578094560895
Energy: 0.9075130415078698
Energy: 0.8771107584595823
Energy: 0.8953417151050409
Energy: 0.8777131680780443
Energy: 0.8743558254123831
Energy: 0.8978591313210669
Energy: 0.8801143005662997
Energy: 0.8765454488093981
Energy: 0.8739463504601501
Energy: 0.8830912463958163
Energy: 0.8738578818602077
Energy: 0.9014708060202515
Energy: 0.878115851312595
Energy: 0.8683510892189406
Energy: 0.874841092904316
Energy: 0.8722670748014623
Energy: 0.8705530017315365
Energy: 0.8848037950873188
Energy: 0.8704570551994903
Energy: 0.8738797613913152
Energy: 0.8733120891681783
Energy: 0.8691672963002929
Energy: 0.8823408961752838
Energy: 0.8852449054424589
Energy: 0.883790579888659
Energy: 0.8834662067977045
Energy: 0.8732284133165833
Energy: 0.8841409057478317
Energy: 0.8837776909001228
Energy: 0.9064274276367974
Energy: 0.86549281682211
Energy: 0.8686126909905341
Energy: 0.8842432636432028
Energy: 0.864616264938609
Energy: 0.8528124804973497
Energy: 0.9057573599009634
Energy: 0.8686965422153657
Energy: 0.8562881095430857
Energy: 0.847843683575447
Energy: 0.8734891152758463
Energy: 0.8563052007445635
Energy: 0.9149566212921999
Energy: 0.8728997308491839
Energy: 0.8602513807822503
Energy: 0.8942617563642933
Energy: 0.8759281217188597
Energy: 0.8738143490764511
Energy: 0.9395952446173204
Energy: 0.8844770515507362
Energy: 0.8831748051966999
Energy: 0.8654927266322859
Energy: 0.8937389820150892
Energy: 0.8737026607154085
Energy: 0.904997187697174
Energy: 0.8685233600830281
Energy: 0.8689828272105358
Energy: 0.8582853955879343
Energy: 0.8691228308786331
Energy: 0.868488724519647
Energy: 0.9058169674563087
Energy: 0.8662959218770818
Energy: 0.8650525594142956
Energy: 0.8586779063682466
Energy: 0.870437933065076
Energy: 0.8644589192639587
Energy: 0.8967320461334523
Energy: 0.8748793993307511
Energy: 0.8812961985679917
Energy: 0.8694911901461756
Energy: 0.8854728667544358
Energy: 0.880241727700258
Energy: 0.9218815402335897
Energy: 0.859010456645952
Energy: 0.8641889291668727
Energy: 0.8753562440348697
Energy: 0.8637916332231692
Energy: 0.8642072294628502
Energy: 0.9159526960768858
Energy: 0.8678329185546031
Energy: 0.8684726450665459
Energy: 0.884860461033229
Energy: 0.8699759741743754
Energy: 0.8716132500160049
Energy: 0.8909114674468909
Energy: 0.8674410768016725
Energy: 0.8686325212590956
Energy: 0.8768991189537481
Energy: 0.867189143056537
Energy: 0.8815875053857914
Energy: 0.8709816526154216
Energy: 0.8751428484171333
Energy: 0.8644120157581533
Energy: 0.873560009340057
Energy: 0.859785004941552
Energy: 0.8650819831120952
Energy: 0.868503884195274
Energy: 0.8474069015626339
Energy: 0.8560425891642705
Energy: 0.8696718810323386
Energy: 0.8474485681157341
Energy: 0.8561648783918284
Energy: 0.894681574666823
Energy: 0.8833578971652263
Energy: 0.8790365684448702
Energy: 0.8921143342194484
Energy: 0.8638819745946651
Energy: 0.8663472854125468
Energy: 0.9158494341968664
Energy: 0.8634640737645874
Energy: 0.864181211998007
Energy: 0.8959416163205002
Energy: 0.8634539609835051
Energy: 0.8702110312619327
Energy: 0.9134575986653211
Energy: 0.8514314696010001
Energy: 0.8473155691308474
Energy: 0.8691055247479643
Energy: 0.8552674494844047
Energy: 0.8682298075761081
Energy: 0.9010975201882259
Energy: 0.8687925460638576
Energy: 0.8681277707792754
Energy: 0.8725499404185093
Energy: 0.8720508036814978
Energy: 0.8734753738158643
Energy: 0.9080970755598748
Energy: 0.8742489279516207
Energy: 0.8741306358175713
Energy: 0.8884546513278804
Energy: 0.8732346020112747
Energy: 0.8812568526553614
Energy: 0.9068396562774442
Energy: 0.8775614019951999
Energy: 0.8770504269202939
Energy: 0.865709531275325
Energy: 0.8724724751847818
Energy: 0.8740622740283527
Energy: 0.9303239113601441
Energy: 0.9200427186766504
Energy: 0.9203119414487444
Energy: 0.8622054280913977
Energy: 0.9195693810566081
Energy: 0.8840466881335932

minimum gb energy = 0.8473155691308474 eV
minimum distance =  2.33105418245367 Angstroms
sigma value = 101


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

Energy: 1.301538661686817
Energy: 0.8521029133960952
Energy: 0.8517318637877305
Energy: 0.8162521515629378
Energy: 0.8421020184055812
Energy: 0.8149632702093914
Energy: 0.897198121261989
Energy: 0.8413937831678268
Energy: 0.850426601038733
Energy: 0.8390997762214524
Energy: 0.8363531659684833
Energy: 0.8494267658764284
Energy: 0.8997440756827305
Energy: 0.8403434128473096
Energy: 0.8461207845307746
Energy: 0.8361289707113606
Energy: 0.8394858106567394
Energy: 0.8370353953811034
Energy: 0.8861096478605028
Energy: 0.8427816982498393
Energy: 0.851538249143254
Energy: 0.8374330991738974
Energy: 0.841760780084351
Energy: 0.8527823306078524
Energy: 0.8510922506950128
Energy: 0.8368729309858498
Energy: 0.8382097843721893
Energy: 0.8522678068485987
Energy: 0.8368984586230476
Energy: 0.8528924497202757
Energy: 0.8564428256369094
Energy: 0.8492943208106969
Energy: 0.8495325748685276
Energy: 0.8397691868488317
Energy: 0.8498866451777889
Energy: 0.8496905977569283
Energy: 0.8842853735735559
Energy: 0.8376146813548386
Energy: 0.844552886905559
Energy: 0.8637525732329014
Energy: 0.8334967293414297
Energy: 0.8348619693701533
Energy: 0.8711940109825154
Energy: 0.8420946966031514
Energy: 0.8421626996803379
Energy: 0.8596427652119009
Energy: 0.8406948653074936
Energy: 0.8478714846797565
Energy: 0.8382530027561541
Energy: 0.8353544027315842
Energy: 0.8453937350763707
Energy: 0.8364654856111833
Energy: 0.833598723337915
Energy: 0.84145883820256
Energy: 0.8527845923088319
Energy: 0.84304748865037
Energy: 0.8592977698364745
Energy: 0.8360113656567356
Energy: 0.8605930027606955
Energy: 0.8434706716593338
Energy: 0.8905789210184396
Energy: 0.8437793463524745
Energy: 0.8115859277226698
Energy: 0.8376799779822239
Energy: 0.8276210128903293
Energy: 0.8123259905721147
Energy: 0.8989703776315341
Energy: 0.8420312549259713
Energy: 0.8438096545664678
Energy: 0.8451694457404786
Energy: 0.8407451375315165
Energy: 0.843984582714292
Energy: 0.8581073378583202
Energy: 0.8369130582775173
Energy: 0.8372140571131464
Energy: 0.8333307868682869
Energy: 0.8383414596924863
Energy: 0.8370180269377844
Energy: 0.8707468737454146
Energy: 0.845789484627171
Energy: 0.8511874289993016
Energy: 0.833503210809334
Energy: 0.837715868419907
Energy: 0.8483652374426559
Energy: 0.8951426993919882
Energy: 0.8396419698791121
Energy: 0.8425028186982576
Energy: 0.8413152578297819
Energy: 0.8371248520477459
Energy: 0.8448176031197671
Energy: 0.8957764406130065
Energy: 0.8460576213069805
Energy: 0.8515001663766408
Energy: 0.8415151702778262
Energy: 0.8403230154434129
Energy: 0.8528296201994311
Energy: 0.858603061053797
Energy: 0.8987601481196988
Energy: 0.8547609562212007
Energy: 0.8157236174342671
Energy: 0.8982054102992938
Energy: 0.83995619201716
Energy: 0.9332660509303109
Energy: 0.8365736047231305
Energy: 0.8357078107748852
Energy: 0.8525587194093701
Energy: 0.8369207429489481
Energy: 0.851073740255265
Energy: 0.8954809776797271
Energy: 0.8426250948444385
Energy: 0.844917015433036
Energy: 0.8339578173539152
Energy: 0.839095563219954
Energy: 0.8481182680284712
Energy: 0.8837868623198657
Energy: 0.8424071415080033
Energy: 0.8465598887088791
Energy: 0.8370148691902846
Energy: 0.8379030649106891
Energy: 0.8482490796024973
Energy: 0.8536555486362652
Energy: 0.8361844904220269
Energy: 0.8365955636157532
Energy: 0.8541629638685855
Energy: 0.8370402409573817
Energy: 0.8480722193032458
Energy: 0.8727366887989503
Energy: 0.8418557987467291
Energy: 0.8423678998623189
Energy: 0.8563077320879315
Energy: 0.8358927099228151
Energy: 0.8423758026081167
Energy: 0.8679702716460321
Energy: 0.8378992973238912
Energy: 0.8440576193067572
Energy: 0.8576698198994154
Energy: 0.8350177594847067
Energy: 0.854731087018464
Energy: 0.8801951214470303
Energy: 0.8393572851032943
Energy: 0.8429516026255109
Energy: 0.8575363730492036
Energy: 0.8364360644040953
Energy: 0.8534815142547312
Energy: 0.8497732703130935
Energy: 0.8522190551117633
Energy: 0.8494446931051948
Energy: 0.8400448417400114
Energy: 0.8345903081813477
Energy: 0.8474364453039538
Energy: 0.8388625915738565
Energy: 0.8546677097739787
Energy: 0.8513430261735558
Energy: 0.8368696884551478
Energy: 0.8435948758410072
Energy: 0.8495834689997036
Energy: 0.8568389008248225
Energy: 0.8299630010092462
Energy: 0.8315694204568788
Energy: 0.8256808027460022
Energy: 0.8190227905189813
Energy: 0.840842697488873
Energy: 0.8961261127345975
Energy: 0.8270650662971953
Energy: 0.8412353538334214
Energy: 0.8413685597487806
Energy: 0.8194089712332033
Energy: 0.848917640506953
Energy: 0.8571417865261162
Energy: 0.8381331953359604
Energy: 0.8524711331295377
Energy: 0.8330422058799293
Energy: 0.8421611699833775
Energy: 0.8454909606870273
Energy: 0.8590589995091221
Energy: 0.8316645307357982
Energy: 0.8457512784518625
Energy: 0.8337767149503432
Energy: 0.8265535198337457
Energy: 0.8507205001719509
Energy: 0.8964455742948111
Energy: 0.8459453229733294
Energy: 0.8470342546293526
Energy: 0.8401825572696024
Energy: 0.8356076159707043
Energy: 0.8481886129244405
Energy: 0.8952962815092926
Energy: 0.8414570797910963
Energy: 0.8421895015737497
Energy: 0.8340968325710366
Energy: 0.8400913609426957
Energy: 0.8500324137945952
Energy: 0.8593866139772774
Energy: 0.8378816985827501
Energy: 0.847559878972287
Energy: 0.8161049746800041
Energy: 0.8382810580919183
Energy: 0.8469340940689996

minimum gb energy = 0.8115859277226698 eV
minimum distance =  2.32755750387325 Angstroms
sigma value = 33


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

Energy: 0.015446974433185039
Energy: 0.8374051616988692
Energy: 0.015978133768017905
Energy: 0.017193467131208184
Energy: 0.8392545584278119
Energy: 0.0159852981785658
Energy: 0.4120378021067075
Energy: 0.10532447179244295
Energy: 0.10380237862460534
Energy: 0.10623279346612355
Energy: 0.10562589966221825
Energy: 0.10359235501273949
Energy: 1.1478414154256127
Energy: 0.8385196475700177
Energy: 0.8371297241668673
Energy: 0.8402440801517785
Energy: 0.8396689069049205
Energy: 0.8369071391514776
Energy: 0.016512835117887193
Energy: 0.10532447179244295
Energy: 0.10380237862460534
Energy: 0.10623279346612355
Energy: 0.10562589966221825
Energy: 0.10359235501273949

minimum gb energy = 0.015446974433185039 eV
minimum distance =  2.52169816091264 Angstroms
sigma value = 1