Model name: model_name=EAM_CubicNaturalSpline_AngeloMoodyBaskes_1995_Ni__MO_800536961967_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943
cohesive_energy=4.450349977830181
mass=58.6934
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=[2.0615366967341399e-19, 2.9134941218636397e-19, 3.56125413498984e-19, 4.0865277444467394e-19, 4.526549535208499e-19, 4.90224393411516e-19, 5.22692502899526e-19, 5.509709204896259e-19, 5.7571814077839e-19, 5.974308385223579e-19, 6.164951382903239e-19, 6.332186579960159e-19, 6.47852939370972e-19, 6.606014588477099e-19, 6.7164045585597e-19, 6.8111733064608e-19, 6.891570529954919e-19, 6.95870173091952e-19, 7.01354423710134e-19, 7.05691515858372e-19, 7.08958354015098e-19, 7.112222295989399e-19, 7.125408209687219e-19, 7.1296860213e-19, 7.12510379612676e-19, 7.1102996840286e-19, 7.08352731247446e-19, 7.04270385184014e-19, 6.9853939936419595e-19, 6.9086176893406805e-19, 6.80886617210784e-19, 6.68192571739602e-19, 6.522637316443739e-19, 6.32476850214474e-19, 6.080660870188499e-19, 5.780845556668079e-19, 5.413610650388939e-19, 4.96420010455194e-19, 4.41398060490366e-19, 3.73906369783116e-19, 2.9086074831299397e-19, 1.8822531313895396e-19, 6.06270047012136e-20, -9.917825843319479e-20, -3.01151528833176e-19, -5.592653889238439e-19, -8.93607608906964e-19, -1.33387613487036e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 7.7715611723761e-16 eV

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

Energy: 0.018101997775138736
Energy: 11.635523329685174
Energy: 0.018500457826675268
Energy: 0.01844362455948947
Energy: 0.4980628915919646
Energy: 0.01854461285433868
Energy: 11.635517700537607
Energy: 0.15216195282823425
Energy: 0.15213000607045157
Energy: 0.1546223970407059
Energy: 0.15214624464020676
Energy: 0.15223208646242997
Energy: 0.01850045782439667
Energy: 0.15213000606850371
Energy: 0.15358508967779977
Energy: 0.018529914951415833
Energy: 0.15217087471470297
Energy: 0.1535292268367776
Energy: 0.018443624557872403
Energy: 0.1546223970407059
Energy: 0.018529914949173984
Energy: 0.018479960271062048
Energy: 0.15225640856397307
Energy: 0.01858993519994128
Energy: 0.49806289120791036
Energy: 0.152146244639876
Energy: 0.15217087471213034
Energy: 0.1522564085720584
Energy: 0.15211589901246395
Energy: 0.15223190854634758
Energy: 0.01854461285595575
Energy: 0.15223208646176845
Energy: 0.15352922683611606
Energy: 0.018589935196707135
Energy: 0.15223190854568602
Energy: 0.018493169228809725

minimum gb energy = 0.018101997775138736 eV
minimum distance =  2.48633543360058 Angstroms
sigma value = 1


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

Energy: 1.5291190076688599
Energy: 2.858084831811144
Energy: 1.0463367434067543
Energy: 1.0291768199698255
Energy: 1.55664472411825
Energy: 1.046342893868396
Energy: 1.398422289109423
Energy: 0.9279442942131713
Energy: 0.9291340189155415
Energy: 0.9791173275096147
Energy: 0.9403174173235216
Energy: 0.9296173483153862
Energy: 1.4235259155561604
Energy: 0.9513452487804779
Energy: 0.9516789723406766
Energy: 0.944550378808579
Energy: 0.9552081101233906
Energy: 0.9671692462158357
Energy: 1.5274342150152187
Energy: 0.9456095109638348
Energy: 0.9510687796983002
Energy: 0.9518005941994081
Energy: 0.950948967609848
Energy: 0.938238295951752
Energy: 1.4084245532629096
Energy: 0.9977826451219842
Energy: 0.9978129078414193
Energy: 0.9951246682628367
Energy: 0.99913036644125
Energy: 0.9998798430479965
Energy: 1.3840979891063832
Energy: 0.9964987923427073
Energy: 0.9969945575393125
Energy: 0.966151410086493
Energy: 0.9967271246866719
Energy: 0.9973912855652289
Energy: 1.3844896927089783
Energy: 0.9621512711425523
Energy: 0.998131854774134
Energy: 0.9652546899009367
Energy: 0.9294927436800655
Energy: 0.9651710529227483
Energy: 1.3188929758906012
Energy: 0.9681753593173641
Energy: 0.9678571876577908
Energy: 0.9286692245548162
Energy: 0.9659591590468101
Energy: 0.9970609475585083
Energy: 1.1319853613942792
Energy: 0.9646643677127664
Energy: 0.9825907000789097
Energy: 0.9973226802117642
Energy: 0.9668562493665391
Energy: 0.997786069055381
Energy: 1.1311723268849494
Energy: 0.993398974361427
Energy: 0.9919605490555007
Energy: 0.9297409453552463
Energy: 0.9949562058715747
Energy: 1.0010315511849968
Energy: 1.140588100457484
Energy: 0.9582382336699398
Energy: 0.9280336271568215
Energy: 1.0264790209923034
Energy: 0.9736840652239301
Energy: 0.9654209132546934
Energy: 1.0609872282816721
Energy: 0.9590235440703059
Energy: 0.9666576946627129
Energy: 0.9508342960452576
Energy: 0.9562720174624865
Energy: 0.9377225170298271
Energy: 1.061312459432306
Energy: 0.9829918171360131
Energy: 0.9827844409696245
Energy: 0.9388765715547419
Energy: 0.9519364278635991
Energy: 0.9288663076306687
Energy: 1.1691888363113745
Energy: 0.9742921076026435
Energy: 0.9282140391188161
Energy: 0.9388823491882647
Energy: 0.9523318459206702
Energy: 0.937101323247278
Energy: 1.0762364324178486
Energy: 0.9915258504182188
Energy: 0.9533264450750403
Energy: 0.9392081435048472
Energy: 0.993368325386558
Energy: 0.9531224680565724
Energy: 1.0759019103293825
Energy: 0.9448565770191658
Energy: 0.9698000939398428
Energy: 0.9839840365218292
Energy: 0.9456645790250733
Energy: 0.9823452779353747
Energy: 1.2484161873488628
Energy: 0.963105980322
Energy: 0.964056813283688
Energy: 0.9515161832287374
Energy: 0.9635221939448713
Energy: 0.9684556044182739
Energy: 1.2511147350768352
Energy: 0.9477639102513356
Energy: 0.9818956879938012
Energy: 0.9841145270626359
Energy: 0.9481242965790803
Energy: 0.998867122955466
Energy: 1.2505670042112285
Energy: 0.9850721279152503
Energy: 0.9990037711865264
Energy: 0.9485174879706472
Energy: 0.9832836292187506
Energy: 0.9980115772746018
Energy: 1.3629908383849687
Energy: 0.9830019970697412
Energy: 0.998737899199808
Energy: 0.9483375162472356
Energy: 0.9818172194974072
Energy: 0.9988099547644955
Energy: 1.4478747922652044
Energy: 0.9514270049336871
Energy: 0.928364862055691
Energy: 0.9561817329574389
Energy: 0.9520849070308676
Energy: 0.9291842791666542
Energy: 1.4498550080928254
Energy: 0.9822101152420218
Energy: 0.9817802394227633
Energy: 0.9554961564154013
Energy: 0.9824850608760364
Energy: 0.9696344826656961
Energy: 1.4611421914412723
Energy: 0.9286981398971289
Energy: 0.9216998727733812
Energy: 0.9979215832865798
Energy: 0.9383250341014734
Energy: 0.9532911482087015

minimum gb energy = 0.9216998727733812 eV
minimum distance =  2.29487648635018 Angstroms
sigma value = 33


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

Energy: 1.8987941046841454
Energy: 1.0014667577593808
Energy: 1.0355968566255955
Energy: 1.0714086002997074
Energy: 1.0168693166390288
Energy: 1.0537076162342744
Energy: 1.3875983102153402
Energy: 0.9831740192638398
Energy: 0.9749459338479698
Energy: 1.0041410826467163
Energy: 0.9886922752334878
Energy: 0.9749893899438093
Energy: 1.4847048204827396
Energy: 0.9755443217163349
Energy: 0.9829492677671573
Energy: 1.003061594623318
Energy: 0.9955602592306468
Energy: 0.9626517283620629
Energy: 1.4802153044673825
Energy: 1.0681629665188117
Energy: 0.9753687569314023
Energy: 1.0183142775260225
Energy: 0.9936890394818
Energy: 1.004441336458122
Energy: 1.38643783001428
Energy: 1.0217914555488374
Energy: 1.0233600964190017
Energy: 0.9952635588706769
Energy: 1.022654709309575
Energy: 1.0055000684550923
Energy: 1.4758747855098948
Energy: 1.0207826961367175
Energy: 1.0488900230204106
Energy: 1.0232902831957778
Energy: 1.0038940194409594
Energy: 1.0960304405944212
Energy: 1.4747995714719466
Energy: 1.0954698360906214
Energy: 1.097393073364399
Energy: 1.02405533997084
Energy: 1.0983396545134632
Energy: 1.0967836921992413
Energy: 1.3837012494827776
Energy: 1.0506317611342713
Energy: 1.052871161837376
Energy: 0.9672752210990184
Energy: 1.0511326344478753
Energy: 0.993087516799387
Energy: 1.2054460781687109
Energy: 1.0078927698964224
Energy: 1.0906748548965892
Energy: 1.1058156355705087
Energy: 1.010893588426074
Energy: 1.0937826808891196
Energy: 1.2044975465017718
Energy: 1.0991685640639561
Energy: 1.091904540434127
Energy: 1.0359365745314784
Energy: 1.0606965534165314
Energy: 1.0876033402758996
Energy: 1.2366653390840803
Energy: 0.9810727948769747
Energy: 0.9805055442014016
Energy: 1.0281973946000091
Energy: 0.9758689533561123
Energy: 0.980669152222644
Energy: 1.1604655624860767
Energy: 0.9703938274401195
Energy: 1.0331873284206592
Energy: 1.0378556453708836
Energy: 0.9556642706271034
Energy: 1.0334381136659951
Energy: 1.1594268278154707
Energy: 1.0658270535827077
Energy: 1.0556608245358654
Energy: 1.0643428307782292
Energy: 1.0659015675456036
Energy: 1.046390767422245
Energy: 1.2759061638619957
Energy: 1.0180084333763268
Energy: 1.017215584896552
Energy: 1.0762057596978811
Energy: 1.0180928891692713
Energy: 0.9978506685775893
Energy: 1.2171902929470206
Energy: 1.0978331586560328
Energy: 1.0675165870029704
Energy: 1.0851489590163668
Energy: 1.0551240172321137
Energy: 1.0694027468279579
Energy: 1.2159771991024446
Energy: 1.087204300706448
Energy: 1.0874953750782255
Energy: 1.0839159391630988
Energy: 1.0790802668660031
Energy: 1.0800799054205925
Energy: 1.2155120712817236
Energy: 1.0894848228162288
Energy: 1.0887671304761533
Energy: 1.0470238709779018
Energy: 1.0775118907525376
Energy: 1.046421256587438
Energy: 1.3028937829511116
Energy: 1.066290271799578
Energy: 1.0842861189178257
Energy: 1.0077926417485454
Energy: 1.0679674231521838
Energy: 1.0518820612839945
Energy: 1.305013541181666
Energy: 1.0919160665708958
Energy: 1.0920093678993752
Energy: 1.0113635769262297
Energy: 1.0567174120144165
Energy: 1.1007511085300632
Energy: 1.3235994815084826
Energy: 1.021399133858094
Energy: 1.0925199394015266
Energy: 1.0601995404591582
Energy: 1.0216527699345448
Energy: 1.097425036939573
Energy: 1.5513738875745653
Energy: 1.038683293168135
Energy: 0.9319914274735834
Energy: 0.9323569784630554
Energy: 1.0612773556183
Energy: 0.932228486973057
Energy: 1.5593768381952693
Energy: 1.0366575344946103
Energy: 1.035594516272672
Energy: 0.9079696545792636
Energy: 1.0348420742815208
Energy: 1.035324362174705
Energy: 1.3223646512669536
Energy: 1.0525754242426837
Energy: 1.0338219523829248
Energy: 1.061424973025124
Energy: 1.037334188388687
Energy: 1.0366950861673137
Energy: 1.4783132503808907
Energy: 1.076112203597709
Energy: 1.0655045166989
Energy: 1.004447901754726
Energy: 1.0649637862916903
Energy: 1.0590492520506454
Energy: 1.3217142890519926
Energy: 1.079360224805946
Energy: 1.0663858294945927
Energy: 1.0406796243272733
Energy: 1.0880758476616992
Energy: 1.0648780190618938
Energy: 1.4809519513936402
Energy: 1.0829086624122137
Energy: 1.0839607528857116
Energy: 1.0774592960500307
Energy: 1.0822262376577494
Energy: 1.0834267509763997
Energy: 1.4738924946722114
Energy: 1.0700218178457637
Energy: 1.06487022239474
Energy: 1.0858513937170413
Energy: 1.0634871531388257
Energy: 1.065267834394125
Energy: 1.3852323695355624
Energy: 1.051019823507496
Energy: 1.0519709669890063
Energy: 1.072334619893008
Energy: 1.0080390718245282
Energy: 1.1171074676816515
Energy: 1.2287727458215036
Energy: 1.05081738332025
Energy: 1.0524685325069187
Energy: 1.0234591573260063
Energy: 1.0078068883160318
Energy: 1.098279722722016
Energy: 1.231644545303829
Energy: 1.0616864598984528
Energy: 1.0699442508417423
Energy: 1.021287033600608
Energy: 1.0618578910272651
Energy: 1.0925877656416418
Energy: 1.2583156304407672
Energy: 0.9753671139985739
Energy: 0.9811063343120981
Energy: 1.0457889449511106
Energy: 0.9744633579589692
Energy: 0.9800208633093782
Energy: 1.1318459217046706
Energy: 0.9776974303754331
Energy: 0.9808787217698131
Energy: 1.0458481874727268
Energy: 0.9622506744035669
Energy: 1.0481792980996736
Energy: 1.1320312174052698
Energy: 1.064974270088944
Energy: 1.04669976424332
Energy: 1.0599414580155024
Energy: 1.061292108189332
Energy: 1.0263120164518258
Energy: 1.1320250093343402
Energy: 1.0050160590976374
Energy: 1.0090140684554023
Energy: 1.0634040162359473
Energy: 1.0181392206335989
Energy: 1.0590819782388874
Energy: 1.216823241015302
Energy: 1.0708441724603353
Energy: 1.0602052998290337
Energy: 1.0070117934751068
Energy: 1.0704491091236341
Energy: 1.0565854931648138
Energy: 1.2129185299644658
Energy: 1.00697712305244
Energy: 1.0256225808299015
Energy: 1.023938727780628
Energy: 1.0236033732631988
Energy: 1.08992471179661
Energy: 1.2152797878379444
Energy: 1.0116742947175767
Energy: 1.008788657130641
Energy: 1.005238446240469
Energy: 1.0220717046921939
Energy: 1.018683244207186
Energy: 1.3014324754946138
Energy: 1.0472397533074171
Energy: 1.0223342883742923
Energy: 1.0112961810550232
Energy: 0.975496943919906
Energy: 1.1049302784543038
Energy: 1.3011520780441652
Energy: 1.0158346370375622
Energy: 1.0226514856229991
Energy: 1.0074299917971097
Energy: 0.9601414484470588
Energy: 1.0517914353692037
Energy: 1.3877094465604698
Energy: 1.0272007025015217
Energy: 1.0174193292250748
Energy: 1.0167367642391418
Energy: 1.0151842297562093
Energy: 1.0136102013196544
Energy: 1.5335324937006674
Energy: 0.9861317818105475
Energy: 0.9387444120397279
Energy: 0.9382886850836409
Energy: 0.9985943512201315
Energy: 0.9818565071736788

minimum gb energy = 0.9079696545792636 eV
minimum distance =  2.26564973912245 Angstroms
sigma value = 51


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

Energy: 1.5915771089995685
Energy: 0.9823020817246938
Energy: 0.9478585862063226
Energy: 1.0249006320997782
Energy: 1.0430773869630372
Energy: 1.0215987128236166
Energy: 1.220374254100051
Energy: 0.9461395800851294
Energy: 0.944085192691187
Energy: 1.0143081685702737
Energy: 0.9447184860272104
Energy: 0.9617191193526137
Energy: 1.4246894078301948
Energy: 0.9449671241491552
Energy: 0.9461513514412896
Energy: 0.985242700775788
Energy: 0.9447037199288665
Energy: 0.9594900751402755
Energy: 1.4213567514283536
Energy: 0.9791352203424649
Energy: 0.9438975227999284
Energy: 0.9808032910605008
Energy: 0.9445656604009417
Energy: 0.9771197503246576
Energy: 1.2253449328648167
Energy: 1.0150271614691246
Energy: 1.0128360513097898
Energy: 1.0123946898785035
Energy: 1.0121958947257832
Energy: 1.0119354828457974
Energy: 1.2255261310061372
Energy: 1.0138563363974797
Energy: 1.01243259723781
Energy: 1.0118586983957918
Energy: 1.0119606579285652
Energy: 1.0112919812436842
Energy: 1.2255907859357555
Energy: 1.0133569273748084
Energy: 1.0116436048576265
Energy: 1.0122723463659786
Energy: 1.0027875107451958
Energy: 1.0110473383700496
Energy: 1.2505462969952807
Energy: 0.9477468579606255
Energy: 0.9480919054096566
Energy: 0.9444306467759449
Energy: 0.953816340858584
Energy: 0.9479150295935932
Energy: 1.0752645085520218
Energy: 0.9523746155534806
Energy: 0.9482496485730081
Energy: 0.9488193958222001
Energy: 0.952216569510657
Energy: 0.9452589211069594
Energy: 1.0745446509450076
Energy: 0.9896006700415749
Energy: 0.9443885939489686
Energy: 0.943589935200578
Energy: 0.9884921406055004
Energy: 0.94392236417822
Energy: 1.1166031749822412
Energy: 0.9571415816797159
Energy: 0.9574965040679151
Energy: 0.9569938328657229
Energy: 0.9550223496808734
Energy: 0.9573072359675864
Energy: 1.0972968908620264
Energy: 0.9590980883483122
Energy: 0.961125561720821
Energy: 0.9583733524114069
Energy: 1.0051074560632232
Energy: 0.9599042175383956
Energy: 1.0963460925707893
Energy: 0.9805217992407214
Energy: 0.9804676088404585
Energy: 0.9808176526491298
Energy: 0.9810709647316146
Energy: 0.9808950183616038
Energy: 1.0980956637522468
Energy: 0.9825293741065011
Energy: 0.9814371804674834
Energy: 0.9805467480965878
Energy: 0.9852371499469635
Energy: 0.9813003815320044
Energy: 1.305045615411894
Energy: 0.9813201838601431
Energy: 0.9821264158961714
Energy: 0.9995783167233318
Energy: 0.9817979251515134
Energy: 0.9867629385943023
Energy: 1.3050225708308458
Energy: 0.9818274776041477
Energy: 0.9813112673115062
Energy: 1.0002226041313518
Energy: 0.9816330602743506
Energy: 1.0006259355009823
Energy: 1.3294375586010352
Energy: 0.9829756863280351
Energy: 0.9812349798925406
Energy: 0.9837968160231323
Energy: 0.9822411073625077
Energy: 0.9813912105938113
Energy: 1.5348728765261748
Energy: 0.9441262981886176
Energy: 0.9299103194254202
Energy: 0.9490805717216563
Energy: 0.9438239266185818
Energy: 0.9703433425849056

minimum gb energy = 0.9299103194254202 eV
minimum distance =  2.27168017925595 Angstroms
sigma value = 19


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

Energy: 1.3305263636426874
Energy: 5.576195675217963
Energy: 0.9178839353148064
Energy: 0.9160606361879754
Energy: 5.591330523582676
Energy: 0.9163485311199914
Energy: 1.4080535619299341
Energy: 0.8940948614209872
Energy: 0.893751745244791
Energy: 0.8904137319611899
Energy: 0.8911091902745643
Energy: 0.8942255432733567
Energy: 1.4089902285920388
Energy: 0.8913016297860055
Energy: 0.889603612742771
Energy: 0.8924592440333368
Energy: 0.8892781985734721
Energy: 0.8928539717119697
Energy: 1.1439092008457132
Energy: 0.8916986062068238
Energy: 0.8928640430345679
Energy: 0.899140455739001
Energy: 0.8907724784783327
Energy: 0.8921330566401476
Energy: 1.154916531941216
Energy: 0.9185918220177829
Energy: 0.9181147772677947
Energy: 0.9204069873838635
Energy: 0.9188046166842349
Energy: 0.915300605288364
Energy: 1.1558038791622802
Energy: 0.8453840837465183
Energy: 0.9161662508530936
Energy: 0.919952329314758
Energy: 0.8485605085213543
Energy: 0.915585803171979
Energy: 1.1560105781934713
Energy: 0.9179194495242441
Energy: 0.9167819568205234
Energy: 0.9188206614095111
Energy: 0.9215876730423669
Energy: 0.9159842640449477
Energy: 1.135421358343453
Energy: 0.8510561524716975
Energy: 0.8512517081502922
Energy: 0.8925238451737627
Energy: 0.8505857956636171
Energy: 0.8496263557257442
Energy: 0.9881404319579266
Energy: 0.8505702749228368
Energy: 0.8506933140264399
Energy: 0.8925034756785535
Energy: 0.8506180886005585
Energy: 0.8495863162450373
Energy: 0.9881357032859918
Energy: 0.8884390360287074
Energy: 0.8933235500826789
Energy: 0.890526032133091
Energy: 0.917602475667364
Energy: 0.893918341662331
Energy: 0.9882718253614174
Energy: 0.9647034296994969
Energy: 0.9643447138735047
Energy: 0.8848298649681862
Energy: 0.9658453799166922
Energy: 0.8911760402809787
Energy: 1.1551931314897217
Energy: 0.9193274365497213
Energy: 0.9215299673069317
Energy: 0.8899859606236787
Energy: 0.918933313137015
Energy: 0.889180154014959
Energy: 0.9528859810401121
Energy: 0.9185459593219297
Energy: 0.915399986502316
Energy: 0.8480033026104503
Energy: 0.917620352712356
Energy: 0.91923893352106
Energy: 1.1560105570315964
Energy: 0.9181451392182316
Energy: 0.9184538402673568
Energy: 0.892583491679374
Energy: 0.9186305000379519
Energy: 0.918993873403544
Energy: 1.3381633288075376
Energy: 0.8859015914594186
Energy: 0.8928389456351106
Energy: 0.8505371800772515
Energy: 0.8912731474430982
Energy: 0.850703048125514
Energy: 1.3352157030609624
Energy: 0.8931378032904861
Energy: 0.8478046186952841
Energy: 0.8489014037486002
Energy: 0.8925393415524028
Energy: 0.8502675242076466
Energy: 1.409925528461301
Energy: 0.8933345633556794
Energy: 0.8924951193654788
Energy: 0.9215070361602844
Energy: 0.887568740455942
Energy: 0.8932688912484739
Energy: 1.1486520605433395
Energy: 0.8919529404049023
Energy: 0.892023821077284
Energy: 0.898980693463031
Energy: 0.8882037519122474
Energy: 0.8903016821554165
Energy: 1.1404029175710997
Energy: 0.8921822355659735
Energy: 0.8917106703293035
Energy: 0.899140468061599
Energy: 0.8913384768856097
Energy: 0.8923454062597503
Energy: 1.1565709299846743
Energy: 0.8452443259129266
Energy: 0.9179524456377443
Energy: 0.9182367696554321
Energy: 0.8499451836005351
Energy: 0.9163162807669676
Energy: 1.1484061660046294
Energy: 0.9161200557795504
Energy: 0.9179902024612545
Energy: 0.9176992826994514
Energy: 0.9200404379887149
Energy: 0.9165815082277521
Energy: 1.1559417875089406
Energy: 0.9186168224974163
Energy: 0.9157183202755899
Energy: 0.9184898757561526
Energy: 0.9239155595849327
Energy: 0.9150878359956389
Energy: 0.9679345980633466
Energy: 0.8480192145119222
Energy: 0.8485176520516055
Energy: 1.0442231733154383
Energy: 0.845863923093677
Energy: 0.9150740897123161
Energy: 0.9882922601508632
Energy: 0.8945077133509307
Energy: 0.8941220367065117
Energy: 0.890857914147496
Energy: 0.847646644422576
Energy: 0.8938784649929158
Energy: 0.9885053892225645
Energy: 0.8893386655298195
Energy: 0.8937381210783957
Energy: 0.8882331483787684
Energy: 0.8915794805012062
Energy: 0.8922244782349467
Energy: 1.1387668522432395
Energy: 0.899114307346401
Energy: 0.8998599148176045
Energy: 0.8905745777747944
Energy: 0.8990495163616944
Energy: 0.8937531736799608
Energy: 1.1555581311310146
Energy: 0.9201001897874395
Energy: 0.9152308305355294
Energy: 0.9187737944054675
Energy: 0.9198281048637564
Energy: 0.9184118471532272
Energy: 0.9535038773854386
Energy: 0.9165149595084874
Energy: 0.9155548377270653
Energy: 0.8497208611977145
Energy: 0.9179005348930593
Energy: 0.9163107642746242
Energy: 1.1557429208044896
Energy: 0.9169623021206013
Energy: 0.9161934667061232
Energy: 0.8686760582194937
Energy: 0.9190278857366455
Energy: 0.9160513540813435
Energy: 1.3352715196826213
Energy: 0.8859231359982453
Energy: 0.8485966125699487
Energy: 0.8502040498468868
Energy: 0.8917916283315641
Energy: 0.8505954846274563

minimum gb energy = 0.8452443259129266 eV
minimum distance =  2.3759790927848 Angstroms
sigma value = 27


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

Energy: 1.1400566398471976
Energy: 4.1651817182534705
Energy: 1.1494377430466645
Energy: 0.8896243707476053
Energy: 0.968179371664875
Energy: 1.1489164257796196
Energy: 1.1463379555604682
Energy: 0.9595410364018752
Energy: 0.8897590797521598
Energy: 0.9161176902776257
Energy: 0.9586583665637496
Energy: 0.8891825906225534
Energy: 1.0312440376295098
Energy: 0.8887082588449582
Energy: 0.8915232235221258
Energy: 0.8904255899842699
Energy: 0.9595283272165415
Energy: 0.8905796275104461
Energy: 1.0308561709482118
Energy: 0.9014055842162394
Energy: 0.9036570959165064
Energy: 0.8913966117359101
Energy: 0.9610105182010199
Energy: 0.8920034399950325
Energy: 1.1484652817732444
Energy: 0.8261017533590517
Energy: 0.8907246974013853
Energy: 0.9576791279927607
Energy: 0.8271835376737364
Energy: 0.8913138204792771
Energy: 0.9967295739131306
Energy: 0.8265445562681168
Energy: 0.8265669021925315
Energy: 0.9571165992224869
Energy: 0.8279390269927638
Energy: 0.8265770314948142
Energy: 0.9992107762517601
Energy: 0.8919052895457082
Energy: 0.8897350362650582
Energy: 0.9575896575648069
Energy: 0.891376782397381
Energy: 0.8899023850176173
Energy: 0.9988626846606157
Energy: 0.8947221826031779
Energy: 0.8965295496223776
Energy: 0.9600845177693361
Energy: 0.8864878305585511
Energy: 0.8943833621373333
Energy: 1.0308101023048493
Energy: 0.8850128487633308
Energy: 0.9121620211054673
Energy: 0.9597117518588484
Energy: 0.884488725018279
Energy: 0.8892815844882814
Energy: 1.0330771365077944
Energy: 0.8740849290698877
Energy: 0.8712540515965369
Energy: 0.8755167136168619
Energy: 0.8755326250628488
Energy: 0.8715244987027028
Energy: 1.0314766950095307
Energy: 0.8994478349248604
Energy: 0.8763522029901977
Energy: 0.8753444100521107
Energy: 0.9014047793593426
Energy: 0.8756107203863388
Energy: 1.0307917219775193
Energy: 0.8750512693640047
Energy: 0.8896773856965333
Energy: 0.9016232979711448
Energy: 0.8744417230472816
Energy: 0.8901653439657674

minimum gb energy = 0.8261017533590517 eV
minimum distance =  2.31904630921558 Angstroms
sigma value = 9


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

Energy: 1.9668140845433228
Energy: 0.8533446585533173
Energy: 0.7816677870787238
Energy: 0.9622460118406208
Energy: 0.8539633067894635
Energy: 0.7826255840898398
Energy: 0.8808340681821293
Energy: 0.8381717323985896
Energy: 0.7931115717985452
Energy: 0.8052063296382761
Energy: 0.8379229359332411
Energy: 0.7963382857177905
Energy: 0.8826362575438282
Energy: 0.815801792567465
Energy: 0.7909316849718728
Energy: 0.8274638751149084
Energy: 0.8399481711873734
Energy: 0.7925226669801557
Energy: 0.8830367678286596
Energy: 0.8064228781173598
Energy: 0.7945198077730423
Energy: 0.8344815906767212
Energy: 0.8062859385184593
Energy: 0.7943647385961569
Energy: 0.9582383235008858
Energy: 0.8521100351071019
Energy: 0.8230508415288772
Energy: 0.8964376579698895
Energy: 0.8664134346110983
Energy: 0.7960482006398286
Energy: 0.8965903056007306
Energy: 0.8308172965122006
Energy: 0.823514285375485
Energy: 0.8965018047138739
Energy: 0.8227352534836775
Energy: 0.7898977882665907
Energy: 0.8970495303420678
Energy: 0.8054155068593472
Energy: 0.7934057387100171
Energy: 0.8966175155074403
Energy: 0.8162680299082656
Energy: 0.7943777742280284
Energy: 0.8957241842389878
Energy: 0.8333645101764683
Energy: 0.7931797307005382
Energy: 0.8960417063439485
Energy: 0.8286810309767474
Energy: 0.8392330928202976
Energy: 1.2498919869620804
Energy: 0.8260271500001007
Energy: 0.7927185823345899
Energy: 0.8814491275029267
Energy: 0.8858589960443798
Energy: 0.7948297030991506
Energy: 0.8174443477747403
Energy: 0.866915343680878
Energy: 0.8065509066513499
Energy: 0.8200855130995958
Energy: 0.8668285345854296
Energy: 0.8272969443923345
Energy: 0.8177184053986559
Energy: 0.8804446904581748
Energy: 0.792650728215662
Energy: 0.8245953404383152
Energy: 0.8978170713593573
Energy: 0.7948163036879964
Energy: 1.0708866613764185
Energy: 0.8981834772751627
Energy: 0.8840165643220772
Energy: 0.8363510595869404
Energy: 0.8970175914528601
Energy: 0.7949726601289843
Energy: 1.1774276924154363
Energy: 0.987162042196698
Energy: 0.9307083088128537
Energy: 0.7905928359949993
Energy: 0.8829514767082977
Energy: 0.7985408140357517
Energy: 0.9637219970435733
Energy: 0.8817377722531956
Energy: 0.7853410814689508
Energy: 0.8127474162533775
Energy: 0.8966976039260515
Energy: 0.8067095425375796
Energy: 0.8649758891430076
Energy: 0.8293600731351337
Energy: 0.8008264931675572
Energy: 0.8396139859148947
Energy: 0.8336498703877337
Energy: 0.8621220297764467
Energy: 0.8647981198918003
Energy: 0.8119227097045313
Energy: 0.8017346328225188
Energy: 0.8393828654160371
Energy: 0.8179855647057608
Energy: 0.7938292334467969
Energy: 0.863973442061542
Energy: 0.8029908579376484
Energy: 0.7913517000482285
Energy: 0.8378212560133279
Energy: 0.8341074048696778
Energy: 0.8027471693600248
Energy: 0.8823761428620821
Energy: 0.8479093456388851
Energy: 0.7923173854609183
Energy: 0.8390031248289507
Energy: 0.8474299769177901
Energy: 0.7981886067348234
Energy: 0.88351834120656
Energy: 0.7946381853278572
Energy: 0.7965141768529117
Energy: 0.8143984275135255
Energy: 0.7936367584225205
Energy: 0.7991969145822665
Energy: 0.8820148962449526
Energy: 0.8083234349680998
Energy: 0.8009752955247903
Energy: 0.8009090794920748
Energy: 0.8012608393319626
Energy: 0.7992026606459032
Energy: 0.8820216302528536
Energy: 0.7937725326453329
Energy: 0.793291108226476
Energy: 0.7941355052613104
Energy: 0.7911776670781411
Energy: 0.7848289393663908
Energy: 0.9164655378315466
Energy: 0.8180311762714981
Energy: 0.7684156556424563
Energy: 0.8671496728268934
Energy: 0.8395718709098826
Energy: 0.8248009398364278
Energy: 0.9114145613932041
Energy: 0.8423902110547941
Energy: 0.8048364063850637
Energy: 0.8654361696020203
Energy: 0.8382658165726171
Energy: 0.7917462504794194
Energy: 0.8820714760875028
Energy: 0.8401885384096102
Energy: 0.7936883341670571
Energy: 0.8279239148615726
Energy: 0.8413975063141209
Energy: 0.7951615426493588
Energy: 1.1947226867462999
Energy: 0.840983377180782
Energy: 0.8406277377883475
Energy: 0.7936448434842671
Energy: 0.8400916565186508
Energy: 0.7953830098492102
Energy: 0.881521711786076
Energy: 0.805541657750369
Energy: 0.817581875013416
Energy: 0.86366907892678
Energy: 0.8258526892015106
Energy: 0.7949550206153828
Energy: 0.8343865185961259
Energy: 0.8215993916189316
Energy: 0.8310668738096673
Energy: 0.834806879619714
Energy: 0.8217536141897741
Energy: 0.8296101652531276
Energy: 0.8966406485227719
Energy: 0.804643899728839
Energy: 0.8166972823154308
Energy: 0.8968862462571978
Energy: 0.8375495852415809
Energy: 0.7934999504305461
Energy: 0.8971971129205097
Energy: 0.805929310633288
Energy: 0.7953997799501085
Energy: 0.8974132090410983
Energy: 0.854872503038278
Energy: 0.8050926426952079
Energy: 0.8553704902442403
Energy: 0.8152015326023476
Energy: 0.8719944275206214
Energy: 0.9120300673744143
Energy: 0.8134438670400728
Energy: 0.813324521615495
Energy: 0.8180489984425205
Energy: 0.8671665947235556
Energy: 0.7941230344222481
Energy: 0.825472938019491
Energy: 0.8816551298064106
Energy: 0.7933880743579853
Energy: 0.827464212281793
Energy: 0.8607186725651091
Energy: 0.7953612520736264
Energy: 0.8195670940050593
Energy: 0.8965413822596475
Energy: 0.8246228215847445
Energy: 1.0702583523301075
Energy: 0.8984787060663684
Energy: 0.862256262825279
Energy: 0.8614593826061899
Energy: 0.897703208492492
Energy: 0.7950228921146226
Energy: 0.8713630464758264
Energy: 0.8976135243842174
Energy: 0.7982119531420452
Energy: 0.8541754274986016
Energy: 0.8967912259536559
Energy: 0.790840545943869
Energy: 0.8657959595375252
Energy: 0.875262322547067
Energy: 0.7965129771927053
Energy: 0.8522353923170162
Energy: 0.8972765872471201
Energy: 0.8331168072293055
Energy: 0.8679094998297567
Energy: 0.7701627412677345
Energy: 0.7954107770328582
Energy: 0.8838373497385419
Energy: 0.7663162176704265
Energy: 0.7936863470379211
Energy: 0.863647929479019
Energy: 0.801225714254146
Energy: 0.7947285230677564
Energy: 0.8401103448850276
Energy: 0.8241723437146014
Energy: 0.7919499921318356
Energy: 0.863927776343154
Energy: 0.8084323345808135
Energy: 0.8098539744829112
Energy: 0.8375792604785833
Energy: 0.8070945746143341
Energy: 0.7967804820076885
Energy: 0.9147776984997698
Energy: 0.7895506220598194
Energy: 0.80110331253241
Energy: 0.8203492113949601
Energy: 0.8378214996946475
Energy: 0.9551150306327325
Energy: 0.8838959474816155
Energy: 0.810240473065932
Energy: 0.8109408139295037
Energy: 0.8378927235716875
Energy: 0.806991531493883
Energy: 0.7972328764712171
Energy: 0.8785857293448301
Energy: 0.8015729142563794
Energy: 0.7956058872121761
Energy: 0.8009744659312823
Energy: 0.8029833662978856
Energy: 0.7914912070680525
Energy: 0.8835594123313038
Energy: 0.7906518408185558
Energy: 0.7923928249341976
Energy: 0.8025719914483783
Energy: 0.8088484981899982
Energy: 0.7956952252982917
Energy: 0.9118483549623912
Energy: 0.811734128060505
Energy: 0.8026616497432473
Energy: 0.865479213293928
Energy: 0.8417347069018821
Energy: 0.777937285594698

minimum gb energy = 0.7663162176704265 eV
minimum distance =  2.2998618166032 Angstroms
sigma value = 57


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

Energy: 0.7418142199620018
Energy: 4.11734079408431
Energy: 0.44399713197849255
Energy: 0.40276976131844416
Energy: 0.6937277260300119
Energy: 0.7121625070142058
Energy: 0.9393964769129393
Energy: 0.691643109676203
Energy: 0.7124405864907787
Energy: 0.7836802621115666
Energy: 0.782826103289146
Energy: 0.7111877054603004
Energy: 0.9422665674294207
Energy: 0.9358297523690627
Energy: 0.6928703087047559
Energy: 0.7349894573233235
Energy: 0.7487303534513339
Energy: 0.8305784019029113
Energy: 0.9423494420376677
Energy: 0.8748534514594203
Energy: 0.8609702426575222
Energy: 0.8635528262523494
Energy: 0.8699424739966959
Energy: 0.840254698329545
Energy: 0.9388130901267805
Energy: 0.576788917039236
Energy: 0.5415961598048007
Energy: 0.8756043059504715
Energy: 0.4023351138710607
Energy: 0.8405953684433882
Energy: 0.8817023870430384
Energy: 0.5751419783460172
Energy: 0.5752919808815039
Energy: 0.84115792215149
Energy: 0.40102385039334165
Energy: 0.44097204452820093
Energy: 0.9705676686255174
Energy: 0.8642858791524688
Energy: 0.8677392418054433
Energy: 0.8844182082068401
Energy: 0.8590640334740482
Energy: 0.8829870545746724
Energy: 0.9401337226068943
Energy: 0.9549159974802364
Energy: 0.9680612949860887
Energy: 0.8830448171906945
Energy: 0.9909299482314057
Energy: 0.8597780953906108
Energy: 0.9793707051132211
Energy: 0.9842217194975779
Energy: 0.9719544169513202
Energy: 1.0158520695433462
Energy: 1.007736033816918
Energy: 0.9938532864716558
Energy: 0.4001451560369312
Energy: 0.9912095052441982
Energy: 0.4034165723253943
Energy: 0.40049912955967903
Energy: 1.0147861616502838
Energy: 0.4442629974931054
Energy: 0.4001321099246251
Energy: 1.001886002787845
Energy: 0.9935380903281688
Energy: 0.40096978012368106
Energy: 0.9706222623532815
Energy: 0.4029374731186257
Energy: 0.9819458380166672
Energy: 0.9939377191604399
Energy: 0.984874686751512
Energy: 0.9720145195624987
Energy: 0.9743522930589148
Energy: 0.9727452501991368
Energy: 0.9072936288965152
Energy: 0.8930096761494929
Energy: 0.8654589931924834
Energy: 0.8991692411246265
Energy: 0.9377491364008813
Energy: 0.9782274433710347
Energy: 0.9103094237821027
Energy: 0.8891179001180473
Energy: 0.8698119311366008
Energy: 0.8987938268722865
Energy: 0.8713348252914617
Energy: 0.8760182681267196
Energy: 0.7154236904683543
Energy: 0.40264203608426774
Energy: 0.4029663678184735
Energy: 0.7070188807755201
Energy: 0.5732546501232046
Energy: 0.5758793855891792
Energy: 0.8903164892581058
Energy: 0.8353415961900256
Energy: 0.8603733819050456
Energy: 0.8398433899667764
Energy: 0.5764849116196077
Energy: 0.8598119289700672
Energy: 0.8914631591678934
Energy: 0.867574448178029
Energy: 0.8751918252104308
Energy: 0.8935760310308104
Energy: 0.691750599525298
Energy: 0.9210930015281495
Energy: 0.9416828810506224
Energy: 0.7364628559257101
Energy: 0.7115883974219104
Energy: 0.7490710693009004
Energy: 0.7332889247250889
Energy: 0.8651045284136594
Energy: 0.7189574689274643
Energy: 0.6945723930177461
Energy: 0.6889639800624492
Energy: 0.4011819271894559
Energy: 0.6907291112987634
Energy: 0.6889527778011184

minimum gb energy = 0.4001321099246251 eV
minimum distance =  2.30198839116522 Angstroms
sigma value = 11


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

Energy: 1.6515077015421855
Energy: 0.7853279619987066
Energy: 0.7895674153577251
Energy: 0.7672365740738815
Energy: 0.7258925478854983
Energy: 0.7872468773970274
Energy: 0.7210689137044693
Energy: 0.7328956962836202
Energy: 0.7359313451980605
Energy: 0.7212555762602545
Energy: 0.7327818078052877
Energy: 0.7389753662858257
Energy: 0.7190894890571528
Energy: 0.7254739285872447
Energy: 0.728031275008759
Energy: 0.720272202601883
Energy: 0.7262591963702688
Energy: 0.725291346918893
Energy: 0.7202986679806975
Energy: 0.7337230220664895
Energy: 0.7388694133711358
Energy: 0.7212965331054451
Energy: 0.7293936909411706
Energy: 0.7378610877221446
Energy: 0.7206835394377626
Energy: 0.7598220819856322
Energy: 0.7570213371920608
Energy: 0.7283723123877371
Energy: 0.7660878743946838
Energy: 0.7519726183473752
Energy: 0.7839946464766101
Energy: 0.7549786451762315
Energy: 0.7500354483012934
Energy: 0.7466338515078165
Energy: 0.7544472370042649
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Energy: 0.7839830942828641
Energy: 0.7253496664051652
Energy: 0.7280424691726105
Energy: 0.7213765073933864
Energy: 0.7271747385720735
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Energy: 0.7425557007899377
Energy: 0.732296219316465
Energy: 0.7262270411546754
Energy: 0.7501581047591659
Energy: 0.7316876089574333
Energy: 0.7268245189053576
Energy: 0.7853965018933292
Energy: 0.7411530524223163
Energy: 0.7524475800754816
Energy: 0.7273497581387846
Energy: 0.7325678889902231
Energy: 0.7518318304337862
Energy: 0.8466355076510959
Energy: 0.7622953860050516
Energy: 0.760194753762487
Energy: 0.715953963171963
Energy: 0.7370305234519946
Energy: 0.7490507370264187
Energy: 0.8120176500702995
Energy: 0.7463802523112993
Energy: 0.758756709310054
Energy: 0.7484945712784182
Energy: 0.7444713248156101
Energy: 0.7587907737928508
Energy: 0.8844843173610121
Energy: 0.6960350141438957
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Energy: 0.6986715594792805
Energy: 0.7364315529765137
Energy: 0.8380307802416854
Energy: 0.6955758449647795
Energy: 0.7440102976426736
Energy: 0.7295794467981864
Energy: 0.6996778321830999
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Energy: 0.8375856487821814
Energy: 0.7596461582791066
Energy: 0.7599204339079849
Energy: 0.7632778462560584
Energy: 0.763414420279036
Energy: 0.7598551815385198
Energy: 0.8820166825528989
Energy: 0.7439777865954826
Energy: 0.8778516080073354
Energy: 0.7502492432993642
Energy: 0.735799854889982
Energy: 0.7432858379812749
Energy: 1.0445745744864405
Energy: 0.7624010507511236
Energy: 0.7591681870937744
Energy: 0.7473409919305567
Energy: 0.7662622890127888
Energy: 0.7596413332552018
Energy: 1.1815523645564014
Energy: 0.7472533955318716
Energy: 0.7304048869682257
Energy: 0.7010161103018647
Energy: 0.7682807865702966
Energy: 0.7367787119459982
Energy: 1.2905314350533066
Energy: 0.7687779783641017
Energy: 0.7620955854370944
Energy: 0.7738549209362161
Energy: 0.7420411930196268
Energy: 0.7614193156682317
Energy: 1.0582379935154191
Energy: 0.7589357538191496
Energy: 0.7541921334901508
Energy: 0.7411217379453439
Energy: 0.7262822023034913
Energy: 0.7505785063252833
Energy: 0.9677818194705298
Energy: 0.7309841661734717
Energy: 0.74071517296793
Energy: 0.7251359767870422
Energy: 0.8309538366091339
Energy: 0.7440136814294532
Energy: 1.044611589882589
Energy: 0.7604704597916186
Energy: 0.765834438055471
Energy: 0.7441445629439671
Energy: 0.7590800603513103
Energy: 0.7460909468664978
Energy: 0.7751316099638967
Energy: 0.7410522350663112
Energy: 0.7098222184657761
Energy: 0.7461818636086253
Energy: 0.7393138703546606
Energy: 0.75749428420243
Energy: 0.7227773806638278
Energy: 0.7501840440346879
Energy: 0.7490215887542273
Energy: 0.7386541002063194
Energy: 0.7533511776974037
Energy: 0.7467261362165585
Energy: 0.7251784179134615
Energy: 0.7267852357209312
Energy: 0.727049135050678
Energy: 0.7268224545999251
Energy: 0.7220014337273667
Energy: 0.7276080686592628
Energy: 0.7202676075731849
Energy: 0.7251741369246886
Energy: 0.7436479001750799
Energy: 0.7179500335725663
Energy: 0.7211497868252855
Energy: 0.7395647965079616
Energy: 0.8281031377746041
Energy: 0.7373953284169128
Energy: 0.7526261448202691
Energy: 0.7658584093854964
Energy: 0.7325883933372113
Energy: 0.757734171679794

minimum gb energy = 0.6955758449647795 eV
minimum distance =  2.32946981964555 Angstroms
sigma value = 41


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

Energy: 1.5687685331575194
Energy: 0.861879858749448
Energy: 0.8070172110987623
Energy: 0.855954820386756
Energy: 0.8176447508982331
Energy: 0.8516785992422763
Energy: 0.7918288499250737
Energy: 0.8024950255801961
Energy: 0.8011060953697408
Energy: 0.7921004396473013
Energy: 0.8036050408334133
Energy: 0.7975082827428457
Energy: 0.7933925691169853
Energy: 0.7899430639352172
Energy: 0.7885450977395495
Energy: 0.7906382924255665
Energy: 0.7914419490208281
Energy: 0.7882908633317433
Energy: 0.792132041975823
Energy: 0.8019847778326243
Energy: 0.7965204095206401
Energy: 0.791347210115784
Energy: 0.788932128735584
Energy: 0.7932397192127396
Energy: 0.7925353388084649
Energy: 0.8016279868408114
Energy: 0.800285396452909
Energy: 0.8053807056320667
Energy: 0.8015408872070059
Energy: 0.8481122234884136
Energy: 0.8899511059059307
Energy: 0.7903372424033682
Energy: 0.7953939442167546
Energy: 0.8053288432857928
Energy: 0.7875285827695251
Energy: 0.7983347891585656
Energy: 0.8927774754276576
Energy: 0.7895365842181059
Energy: 0.7916536976888252
Energy: 0.8041198760764084
Energy: 0.8025998776180862
Energy: 0.7957152328455219
Energy: 0.8269403274985146
Energy: 0.8129499342055209
Energy: 0.7909424169802615
Energy: 0.7531861719092467
Energy: 0.8124337895489394
Energy: 0.755193333966799
Energy: 1.1232265849207652
Energy: 0.7989795094002015
Energy: 0.8048644046003331
Energy: 0.803431299652632
Energy: 0.793440792494163
Energy: 0.8044661403680754
Energy: 0.8920206776843859
Energy: 0.7971590955960791
Energy: 0.7977259462285626
Energy: 0.7896725960354872
Energy: 0.8058563380330218
Energy: 0.7966306287662397
Energy: 0.8926225413979791
Energy: 0.8003984348955011
Energy: 0.8455665823649634
Energy: 0.7902553191734977
Energy: 0.8041267586594123
Energy: 0.8032426635119994
Energy: 0.8914841082595819
Energy: 0.7653874725286856
Energy: 0.8013352269045563
Energy: 0.8061232145838867
Energy: 0.7512142281889305
Energy: 0.7995032070225936
Energy: 0.7992596256132342
Energy: 0.7525264518274488
Energy: 0.7528414410484738
Energy: 0.8042211265827075
Energy: 0.7508734372407551
Energy: 0.7532315860808941
Energy: 0.7958292446475892
Energy: 0.8021265443581993
Energy: 0.8023651721012516
Energy: 0.7910779074271336
Energy: 0.802145572353999
Energy: 0.8033067742933029
Energy: 0.8151932565529996
Energy: 0.7970333165655716
Energy: 0.7969748350347584
Energy: 0.7916321898602273
Energy: 0.791067536747762
Energy: 0.7994439989243103
Energy: 0.7911012426020982
Energy: 0.799346068011007
Energy: 0.7968392894949149
Energy: 0.8050749511436347
Energy: 0.803544222591314
Energy: 0.7930639879277529
Energy: 0.9530684073458927
Energy: 0.8069900734692731
Energy: 0.7914479592828644
Energy: 0.7554784119776816
Energy: 0.8079232704149472
Energy: 0.8140814050220663
Energy: 0.8256203462802283
Energy: 0.8048944277155388
Energy: 0.8051189835398797
Energy: 0.7782777548567249
Energy: 0.8049578509818958
Energy: 0.7827392214537051
Energy: 0.7912889379766281
Energy: 0.7886229546639391
Energy: 0.7908128471264815
Energy: 0.790149206359783
Energy: 0.7898418698696403
Energy: 0.7936552188313161
Energy: 0.7960208444387132
Energy: 0.7878577339738355
Energy: 0.7896139274179232
Energy: 0.7919557487117972
Energy: 0.7888960692285221
Energy: 0.7891987085657427
Energy: 0.7915537280004407
Energy: 0.793346450487365
Energy: 0.7954779825937112
Energy: 0.804306962980364
Energy: 0.7925644197822308
Energy: 0.7993560269340688
Energy: 1.0854808211608522
Energy: 0.7943193849363861
Energy: 0.804891869438159
Energy: 1.0823568515713335
Energy: 0.7923797409693669
Energy: 0.8017515177108244
Energy: 0.8918698988881332
Energy: 0.7928760487685141
Energy: 0.7939157796240891
Energy: 0.8033008612442978
Energy: 0.791980103157533
Energy: 0.7969623709577393
Energy: 0.8268711249017843
Energy: 0.7916472597802985
Energy: 0.7971622736044274
Energy: 0.7530626653063704
Energy: 0.7949052433611544
Energy: 0.7547607198522099
Energy: 0.892853638980371
Energy: 0.7896175545227403
Energy: 0.7916088117536763
Energy: 0.8022808762599148
Energy: 0.7900723787184573
Energy: 0.7969497816223159
Energy: 0.8923917957800958
Energy: 0.803799635859469
Energy: 0.8046005282409777
Energy: 0.790059875499348
Energy: 0.8053289190397867
Energy: 0.8053830353789425
Energy: 0.892023078509969
Energy: 0.7995493655882756
Energy: 0.7977553470578931
Energy: 0.7902800225876545
Energy: 0.8046307026306831
Energy: 0.7964065010599206
Energy: 1.123738597872822
Energy: 0.7916979118877356
Energy: 0.8433044122925529
Energy: 0.8049745966727871
Energy: 0.7929586448032321
Energy: 0.804696815588676
Energy: 0.7998384254541147
Energy: 0.7499323939484859
Energy: 0.7519282962928341
Energy: 0.8032312761718344
Energy: 0.7507321343191733
Energy: 0.7517097443298786
Energy: 0.8803077125409737
Energy: 0.8061626387870914
Energy: 0.8055631609583089
Energy: 0.8377781883930081
Energy: 0.8056568577120933
Energy: 0.8053469535113404
Energy: 0.7976581115142923
Energy: 0.7883857001335972
Energy: 0.7897265005513743
Energy: 0.7918493821786711
Energy: 0.7897719918850573
Energy: 0.7916258006260055
Energy: 0.7906783771647532
Energy: 0.8027216241953854
Energy: 0.7961339386669102
Energy: 0.8039227056071557
Energy: 0.7905850573662627
Energy: 0.7913199738911195
Energy: 0.9520617276387054
Energy: 0.8062625567387528
Energy: 0.778152139228886
Energy: 0.7537251099668556
Energy: 0.8051666594516333
Energy: 0.7944012381420835

minimum gb energy = 0.7499323939484859 eV
minimum distance =  2.3342540895954 Angstroms
sigma value = 33


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

Energy: 1.001115274777484
Energy: 0.9049524540939258
Energy: 0.8118849762039709
Energy: 0.8096752914687243
Energy: 4.473238377798298
Energy: 0.8114367277834486
Energy: 0.8717235603663271
Energy: 0.8602033758681316
Energy: 0.8440711199879899
Energy: 0.8581729389381711
Energy: 0.8639536037665501
Energy: 0.8579077267013396
Energy: 0.8733063146299763
Energy: 0.8416095181150545
Energy: 0.8390734298368605
Energy: 0.8434927223288299
Energy: 0.84002862437248
Energy: 0.8365976967886158
Energy: 0.870073624060659
Energy: 0.8394277084480201
Energy: 0.8548570051605137
Energy: 0.8477575523435443
Energy: 0.8442821410473595
Energy: 0.8380961842464261
Energy: 0.8725283599532435
Energy: 0.8567585897102852
Energy: 0.8199143835322094
Energy: 0.8916651596136815
Energy: 0.8525397414437152
Energy: 0.8195095373637736
Energy: 0.9347384413127537
Energy: 0.8359123489959329
Energy: 0.8352503165911608
Energy: 0.8408860255149632
Energy: 0.848617464935058
Energy: 0.8378120995159585
Energy: 0.924298769768603
Energy: 0.8536031823220998
Energy: 0.8422297591349392
Energy: 0.8844471135299066
Energy: 0.8635302895238745
Energy: 0.8408590709377576
Energy: 0.9979303619786901
Energy: 0.8415419790856762
Energy: 0.8091426633270802
Energy: 0.8089535036746224
Energy: 0.8412555170475842
Energy: 0.8090473514300952
Energy: 0.9228519038988321
Energy: 0.8452452469006708
Energy: 0.868060487399845
Energy: 0.8230714321669795
Energy: 0.8405965961354067
Energy: 0.820174664951302
Energy: 1.0105818667877455
Energy: 0.8425212935319988
Energy: 0.8395979898746838
Energy: 0.8420064436381836
Energy: 0.8409593684290962
Energy: 0.8371403383329249
Energy: 0.9239697559455444
Energy: 0.8419286103938601
Energy: 0.8395995934374628
Energy: 0.8463212076037623
Energy: 0.8625862167153973
Energy: 0.83823815535538
Energy: 0.9241602320173518
Energy: 0.8594183283006736
Energy: 0.8092409708801257
Energy: 0.8199689058977249
Energy: 0.8364978887748293
Energy: 0.8090538344568274
Energy: 0.9381087104742474
Energy: 0.8069597039398538
Energy: 0.8078713275585769
Energy: 0.8198104677251864
Energy: 0.8111228705428155
Energy: 0.8070450663969532
Energy: 0.86769085013636
Energy: 0.8500776194599641
Energy: 0.8413875783020299
Energy: 0.8649208557022886
Energy: 0.8522967827159357
Energy: 0.8397559715549344
Energy: 0.8083097764437653
Energy: 0.8440725563223029
Energy: 0.8395673324216959
Energy: 0.8389867110772624
Energy: 0.842110807725176
Energy: 0.8387021291345799
Energy: 0.8725092871192252
Energy: 0.8546503480620189
Energy: 0.8417763249016634
Energy: 0.8635959874947317
Energy: 0.8663379293224743
Energy: 0.8428967982754186
Energy: 1.0069390846438362
Energy: 0.8411922452011512
Energy: 0.8418388070191294
Energy: 0.8404282629836507
Energy: 0.8424396504034792
Energy: 0.8389174225094145
Energy: 0.9229681578295336
Energy: 0.8216951491359452
Energy: 0.8199139243764282
Energy: 0.8818732743814931
Energy: 0.8245463232138237
Energy: 0.82061392546981
Energy: 0.8686333150531989
Energy: 0.8130358055377103
Energy: 0.8089206352000238
Energy: 0.8408979733202582
Energy: 0.8147625507504078
Energy: 0.8380148127947408
Energy: 0.8843896717632223
Energy: 0.8095219778554867
Energy: 0.8068100562440206
Energy: 0.8407637798785357
Energy: 0.8143216862592807
Energy: 0.8381487329908864
Energy: 0.8198857790415769
Energy: 0.8576069363180159
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Energy: 0.8201638605356965
Energy: 0.8637240652839586
Energy: 0.820947455599304
Energy: 0.901259265015849
Energy: 0.8366387895982822
Energy: 0.8391370433028359
Energy: 0.8416705775615783
Energy: 0.8398307233164385
Energy: 0.8453878533427529
Energy: 0.8699276660229248
Energy: 0.8567894077833643
Energy: 0.857552204497721
Energy: 0.8399673366397264
Energy: 0.8870909252224621
Energy: 0.8200800768799964
Energy: 0.9208059861518805
Energy: 0.838894926485822
Energy: 0.8070051307867544
Energy: 0.8116532592307245
Energy: 0.8315912524232576
Energy: 0.8066930156743525
Energy: 0.919953431582267
Energy: 0.8625169636943679
Energy: 0.844516613415923
Energy: 0.8553301445756051
Energy: 0.852999792425735
Energy: 0.8610351382133222
Energy: 0.8704132534231843
Energy: 0.8411348726149666
Energy: 0.8375671854461338
Energy: 0.8445608045588336
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Energy: 0.8361218763899325
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Energy: 0.8392221020361944
Energy: 0.8380712279788829
Energy: 0.8449477190823043
Energy: 0.8432115796343401
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Energy: 0.8770926848786023
Energy: 0.8451222438357737
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Energy: 0.8904111087804876
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Energy: 0.8413499821684519
Energy: 0.8600136772777901
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Energy: 0.8394325941606513
Energy: 0.8433687174230868
Energy: 0.8405109762780596
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Energy: 0.8398200950619445
Energy: 0.8384543403953485
Energy: 0.8451322655748943
Energy: 0.8450815582641689
Energy: 0.8369740338363807
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Energy: 0.8593416627871624
Energy: 0.8635771107682126
Energy: 0.8199158054864165
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Energy: 0.8066189824096011
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Energy: 0.8112211431439393
Energy: 0.8069441057708905
Energy: 0.8687223334137398
Energy: 0.8529153309471604
Energy: 0.8527862948329065
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Energy: 0.8558768618757266
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Energy: 0.8400015504411562
Energy: 0.8131795866967076
Energy: 0.8400631493038663
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Energy: 0.8698651218294524
Energy: 0.8436738600126701
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Energy: 0.8618226611858678
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Energy: 0.8405582480451731
Energy: 1.0068267603004415
Energy: 0.8240493230888437
Energy: 0.8469127942468224
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Energy: 0.8368637911890447
Energy: 1.007054320570979
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Energy: 0.8213707459928804
Energy: 0.8533544615499612
Energy: 0.858770861910653
Energy: 0.8213434937266765
Energy: 0.8680784575421182
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Energy: 0.8076735571218313
Energy: 0.8414253822399639
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Energy: 0.8095078346429486
Energy: 0.8080340973169241
Energy: 0.8403333874143197
Energy: 0.8136104103131705
Energy: 0.808576262673706
Energy: 0.8184165977807839
Energy: 0.8208376300642655
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Energy: 0.8199370595617234
Energy: 0.8218360756994372
Energy: 0.8197278726519266
Energy: 0.8990869644193263
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Energy: 0.8410686719844341
Energy: 0.8418795505605097
Energy: 0.8385757792929022
Energy: 0.8434187335324796
Energy: 0.8690462332020178
Energy: 0.8552815375217723
Energy: 0.8412977794932982
Energy: 0.8407332277703917
Energy: 0.8842141095468012
Energy: 0.8522940001089624
Energy: 1.0875610045400894
Energy: 0.8209444618440248
Energy: 0.8072973328027124
Energy: 0.8090513820982569
Energy: 0.820389212073693
Energy: 0.8066168028574571

minimum gb energy = 0.8066168028574571 eV
minimum distance =  2.32450443564477 Angstroms
sigma value = 67


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

Energy: 1.1859061394708494
Energy: 5.85219031810451
Energy: 0.8419048994780245
Energy: 0.8421773416940075
Energy: 5.85770497639752
Energy: 0.8418010000590151
Energy: 0.9403644714232915
Energy: 0.8908461068043124
Energy: 0.888878257327781
Energy: 0.8919780653673498
Energy: 0.8934005796949639
Energy: 0.8881008343679022
Energy: 0.9465215065776607
Energy: 0.8324422930118064
Energy: 0.8753215612209272
Energy: 0.877484172263279
Energy: 0.8331827168599188
Energy: 0.8749209345380397
Energy: 0.9394108454804281
Energy: 0.8743618335511191
Energy: 0.87373733614183
Energy: 0.8832860767488567
Energy: 0.876580706227342
Energy: 0.8736442100208675
Energy: 0.9329724253051465
Energy: 0.8947049172874051
Energy: 0.8941534486583935
Energy: 0.9336713958590703
Energy: 0.8947448955225722
Energy: 0.8945373377863405
Energy: 0.9363811257768088
Energy: 0.8682510215037006
Energy: 0.8984081964210444
Energy: 0.9372444230643208
Energy: 0.8678086181755815
Energy: 0.8991857217905121
Energy: 1.0247848416288992
Energy: 0.8918224701315811
Energy: 0.8923421334090439
Energy: 0.8336426042072073
Energy: 0.894824705524852
Energy: 0.8918164215480688

minimum gb energy = 0.8324422930118064 eV
minimum distance =  2.37517205980478 Angstroms
sigma value = 3


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

Energy: 1.3777525076897104
Energy: 1.036933244051012
Energy: 1.0120875764425883
Energy: 1.031532443706122
Energy: 1.027734618189218
Energy: 1.063742717920814
Energy: 1.0589122739989478
Energy: 0.9890970105488618
Energy: 0.9868047703940104
Energy: 1.0327300008386715
Energy: 1.0407388410841694
Energy: 0.9997044636457758
Energy: 1.04421792591693
Energy: 1.011510474169599
Energy: 1.0102488807281973
Energy: 0.986141955923935
Energy: 1.011304840501044
Energy: 1.070972800305413
Energy: 1.0582641319730313
Energy: 0.9948844757146909
Energy: 0.9949372143878781
Energy: 0.9886328714338316
Energy: 1.0096693721338594
Energy: 0.9852396864886438
Energy: 1.0451314580726963
Energy: 0.986501225236291
Energy: 1.0431825041435188
Energy: 1.0508004402303157
Energy: 1.0504132975171327
Energy: 0.9836124964379434
Energy: 1.0384789091191549
Energy: 1.0505344830661698
Energy: 1.040569272065493
Energy: 0.9878448641974754
Energy: 1.049225573784419
Energy: 1.0473505804675098
Energy: 1.0397399110152012
Energy: 1.0421702626958402
Energy: 1.0404280169502211
Energy: 1.0656534990973345
Energy: 1.049831562559333
Energy: 1.053845136626881
Energy: 1.22333333924746
Energy: 1.0931574190698667
Energy: 1.0509233962233848
Energy: 1.0091059713202122
Energy: 1.0424196090899271
Energy: 1.0519984963144589
Energy: 1.037532250335356
Energy: 1.0442611706042841
Energy: 1.0728771370774255
Energy: 1.0652547288206418
Energy: 1.0449811968334157
Energy: 1.0730915338926907
Energy: 1.0598126318068528
Energy: 1.0158997541652905
Energy: 1.0157659895816191
Energy: 1.085846748139395
Energy: 1.027501808653782
Energy: 1.0282367031225763
Energy: 1.112929623614917
Energy: 1.0402490703018454
Energy: 1.0124745117745315
Energy: 1.1018660305108368
Energy: 1.0329281590438448
Energy: 1.0777237858649524
Energy: 1.144591331898114
Energy: 1.0665904529864956
Energy: 1.0400692306361958
Energy: 1.0670111640013087
Energy: 1.0559378350189392
Energy: 1.0398582271583694
Energy: 1.0767781143457829
Energy: 1.0411510669396935
Energy: 1.0419958897671031
Energy: 0.9989279253480199
Energy: 1.04121775499083
Energy: 1.04232886562344
Energy: 1.1133968148627147
Energy: 1.044276856213962
Energy: 1.0436518542738213
Energy: 1.0613883764600134
Energy: 1.0430982862463727
Energy: 1.0426866540591064
Energy: 1.122558336450904
Energy: 1.0456734026996597
Energy: 1.0973711061048463
Energy: 1.006634322869991
Energy: 1.1174048593391737
Energy: 1.0904759261617711
Energy: 1.1892047184227426
Energy: 1.073516356695609
Energy: 1.073425590840835
Energy: 1.0994890510847228
Energy: 1.0886948271744477
Energy: 1.0681452656848929
Energy: 1.2448166559174023
Energy: 1.0199348891023043
Energy: 1.0195941655203764
Energy: 1.084568231285818
Energy: 1.0205356248008743
Energy: 1.0547745547262097
Energy: 1.109426813979177
Energy: 1.0454699684586213
Energy: 1.093537017725056
Energy: 1.0522679938829849
Energy: 1.0643954892699297
Energy: 1.0965176935292535
Energy: 1.223614331380672
Energy: 1.050954280809693
Energy: 1.0507594224954944
Energy: 1.0278081602995566
Energy: 1.0757573997103613
Energy: 1.027137693238772
Energy: 1.1675907972750075
Energy: 1.0445449816678447
Energy: 1.0436676871331858
Energy: 1.0267764245777777
Energy: 1.0443059537321042
Energy: 1.0199127203026752
Energy: 1.0743838620303487
Energy: 1.0562720409982915
Energy: 1.05634805873486
Energy: 1.07229981908212
Energy: 1.0587473570358177
Energy: 1.0640387232923492
Energy: 1.0667963916822367
Energy: 1.0845086900256526
Energy: 1.0772047537989273
Energy: 1.0561779027360623
Energy: 1.0822104947766857
Energy: 1.0792782011562467
Energy: 1.066519796065153
Energy: 1.073388824105105
Energy: 1.072376081042339
Energy: 1.0689356540163033
Energy: 1.0626891458173429
Energy: 1.0728390777986625
Energy: 1.0706631595172478
Energy: 1.0153979270626892
Energy: 1.014404034466661
Energy: 1.070813962852271
Energy: 1.0167379223673119
Energy: 1.0737201576793316
Energy: 1.0309139821607518
Energy: 1.067650574216132
Energy: 1.0667113512989272
Energy: 1.09857563235019
Energy: 1.0613419616929531
Energy: 1.0668502902928918
Energy: 1.2243616088495972
Energy: 1.134595972538394
Energy: 1.0267738306676704
Energy: 0.9823411552864606
Energy: 1.1374554658898357
Energy: 0.9816562737836508
Energy: 0.9798195911169977
Energy: 1.0979215983613595
Energy: 1.0266238212704335
Energy: 0.9824193962436252
Energy: 1.0935211354987293
Energy: 0.9808534806208787
Energy: 1.0314088680119913
Energy: 1.0672858395931526
Energy: 1.0673323282706408
Energy: 1.0781143945149667
Energy: 1.0610679042336453
Energy: 1.0671454200063188
Energy: 1.0467559086075258
Energy: 1.0125101757127344
Energy: 1.0113650774535903
Energy: 1.0468739928364423
Energy: 1.0135712934521983
Energy: 1.0481139322195996
Energy: 1.0409419778190636
Energy: 1.0546206558400533
Energy: 1.052383660537509
Energy: 1.0428251655099223
Energy: 1.038719209591014
Energy: 1.0498515977296043
Energy: 1.0430462728448173
Energy: 1.0512645833611685
Energy: 1.0561144965515465
Energy: 1.0538899931730168
Energy: 1.0653049863716515
Energy: 1.0534808422264477
Energy: 1.045132176932759
Energy: 1.040525256489449
Energy: 1.0426467364854324
Energy: 1.0734893152492013
Energy: 1.040191802027593
Energy: 1.0405673062903011
Energy: 1.224000153973733
Energy: 1.097084015735647
Energy: 1.0936296260776324
Energy: 1.0101908513980216
Energy: 1.1042856078859613
Energy: 1.0193524979141884
Energy: 1.0983840074512052
Energy: 1.054758782139263
Energy: 1.0460708926314513
Energy: 1.018149706643309
Energy: 1.0816360464674104
Energy: 1.0464512740033327
Energy: 1.0516457322273298
Energy: 1.013495069609164
Energy: 1.012788964780774
Energy: 1.077689567078538
Energy: 1.0527494854657409
Energy: 1.0656832902173614
Energy: 1.154860119586111
Energy: 1.0160959628806379
Energy: 1.016152208984153
Energy: 1.1054327035648897
Energy: 1.0341044598885873
Energy: 1.0172177508175533
Energy: 1.1480401523213406
Energy: 1.0705440032409441
Energy: 1.040879517882961
Energy: 1.0513243381701765
Energy: 1.066388069554343
Energy: 1.0694415697651358
Energy: 1.209715809089057
Energy: 1.1053986890171108
Energy: 1.1022030288966667
Energy: 1.0026932836742333
Energy: 1.0988393921373951
Energy: 1.1008305677503494
Energy: 1.0968316144323973
Energy: 1.0438719465323758
Energy: 1.0400076192383345
Energy: 1.0902235152394044
Energy: 1.0448083996002184
Energy: 1.039407382773479
Energy: 1.1222751645720421
Energy: 1.0457793095071912
Energy: 1.0452210089334364
Energy: 1.0043762409457082
Energy: 1.0445261404861605
Energy: 1.045739470093148
Energy: 1.2429612998141193
Energy: 1.0434658066451892
Energy: 1.0421319157028646
Energy: 1.042682995758423
Energy: 1.0435638683437036
Energy: 1.0424685025259228
Energy: 1.2134037174215941
Energy: 1.0082078273237112
Energy: 1.0080685326030019
Energy: 1.1263938209642845
Energy: 1.0283840742824488
Energy: 1.0753934254876565
Energy: 1.1923003037067703
Energy: 1.0288002661058813
Energy: 1.018814684150289
Energy: 1.1276325610032492
Energy: 1.027533136571985
Energy: 1.0645254311051835
Energy: 1.1718330681992233
Energy: 1.0777248617413002
Energy: 1.0466051837301966
Energy: 1.1140481999807852
Energy: 1.073577214338145
Energy: 1.069482067591266
Energy: 1.3759047299413347
Energy: 0.9873415361028123
Energy: 1.0631802152566623
Energy: 1.0328243610860153
Energy: 0.9860185048274425
Energy: 1.0624266947404744
Energy: 1.0618878877903983
Energy: 0.9999719610103478
Energy: 1.0589714306068057
Energy: 1.0713110744564058
Energy: 0.9955880910014889
Energy: 1.061590814388344
Energy: 1.0637012712468061
Energy: 1.0632500947087213
Energy: 1.0793468482406667
Energy: 1.0700826653395763
Energy: 1.060426538602679
Energy: 1.0749813122524097
Energy: 1.0678273134054779
Energy: 1.0044967332488768
Energy: 1.0789452468620209
Energy: 1.072644576464879
Energy: 1.067602692487287
Energy: 1.0159029072743848
Energy: 1.0808257633010196
Energy: 1.0103583531361522
Energy: 0.9956574679191811
Energy: 1.0150987370945355
Energy: 1.0092720536568447
Energy: 0.9857776279212421
Energy: 1.0420803622720385
Energy: 1.0118291629050868
Energy: 1.0122483807553067
Energy: 0.9928072580362621
Energy: 1.0102804638936345
Energy: 1.0703113122534091
Energy: 1.0123544777435478
Energy: 1.0261469129644945
Energy: 1.0047906242762001
Energy: 1.0245866039552918
Energy: 0.9972221804263354
Energy: 1.0312204455022316

minimum gb energy = 0.9798195911169977 eV
minimum distance =  2.309299346655 Angstroms
sigma value = 81


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

Energy: 1.6367900411650353
Energy: 1.0026972854403093
Energy: 0.981937371454488
Energy: 0.9800285339057083
Energy: 1.0742010986857
Energy: 1.0443153764684734
Energy: 1.0357446910931078
Energy: 0.9590864703542796
Energy: 0.9578987922688774
Energy: 0.9833164824695525
Energy: 0.9758015202494736
Energy: 0.9581443350956128
Energy: 1.0497074296203845
Energy: 1.0118600614231263
Energy: 1.014396038658121
Energy: 0.9909169622583355
Energy: 1.0081304469085228
Energy: 1.1001898892487378
Energy: 1.0370555933349115
Energy: 1.0093083451874116
Energy: 0.9592562262003371
Energy: 0.9605327762207942
Energy: 1.0017037118046028
Energy: 0.9597758479430416
Energy: 1.0382561981366436
Energy: 1.0416104895583993
Energy: 1.0509816240916394
Energy: 0.9607999269651019
Energy: 1.0373741057313264
Energy: 0.9574489268946522
Energy: 1.038880142701718
Energy: 1.0380915303541296
Energy: 1.0342730029099887
Energy: 1.0528617836465908
Energy: 1.0349160229626728
Energy: 1.0332236709231262
Energy: 1.0345778001661177
Energy: 1.0579847302908447
Energy: 1.0478583074132468
Energy: 1.0947833575535173
Energy: 0.9761500168257196
Energy: 1.038116561139473
Energy: 1.141950976681573
Energy: 1.1400371271000236
Energy: 1.0781982254868372
Energy: 0.9692196492671113
Energy: 1.1334904746509555
Energy: 0.9700859091656308
Energy: 1.035377745487139
Energy: 1.0935074048251017
Energy: 0.9884723920785944
Energy: 1.0688164184465097
Energy: 1.0718361175251896
Energy: 1.0379229458361674
Energy: 1.0438006154262578
Energy: 0.9356993354251999
Energy: 0.935772976062731
Energy: 1.100179533769458
Energy: 0.9352421790582152
Energy: 0.9357719661973702
Energy: 1.0443560566308543
Energy: 0.9348045870645063
Energy: 0.935318808885153
Energy: 1.0223984384013016
Energy: 0.9666456081587046
Energy: 1.0104667083166188
Energy: 1.0000748112868085
Energy: 1.096270529928925
Energy: 1.0967065738437636
Energy: 1.0014186731066284
Energy: 1.0919661712465207
Energy: 1.0960667711915333
Energy: 0.9999649405588056
Energy: 1.0450476141086884
Energy: 1.038802857972782
Energy: 1.005966297288634
Energy: 1.0423812885070762
Energy: 1.0131619533908172
Energy: 1.0429028816973052
Energy: 1.036368711129889
Energy: 1.0374070271997768
Energy: 1.0296347075042944
Energy: 1.0360363177084964
Energy: 1.038482750166224
Energy: 1.1917696761694236
Energy: 1.106167922062347
Energy: 1.1043499007027497
Energy: 1.0375797621172518
Energy: 1.104895262125252
Energy: 1.0385517926344754
Energy: 1.0422879216426044
Energy: 1.0293863970603003
Energy: 1.031130744514876
Energy: 1.0439878366327755
Energy: 1.0368624548144596
Energy: 1.0323667072662497
Energy: 1.1852739821711875
Energy: 0.9694853976705763
Energy: 0.9707619474420563
Energy: 1.0816742073325116
Energy: 1.0023061878789432
Energy: 1.0150724459468514
Energy: 1.009820719373636
Energy: 1.0366558103022072
Energy: 1.0995823746737308
Energy: 1.0753431195274123
Energy: 1.062123904447643
Energy: 1.099170376451234
Energy: 1.0897169126346538
Energy: 1.0280392758339423
Energy: 0.9341520968615876
Energy: 0.9361350320952834
Energy: 1.0278638224550591
Energy: 0.9401834822289924
Energy: 1.2075617922693973
Energy: 1.0285916882784785
Energy: 0.9349784439048006
Energy: 0.9360260754539795
Energy: 1.028789976740239
Energy: 0.9351272601247699
Energy: 1.0098000315527849
Energy: 1.009244797654834
Energy: 1.0996803614194788
Energy: 1.073785669593323
Energy: 1.0223783492474041
Energy: 1.1012389659666075
Energy: 1.0403229559507916
Energy: 1.0176784830019474
Energy: 1.022850801368362
Energy: 1.0410508291221099
Energy: 1.0179261414742344
Energy: 1.0195567297570722
Energy: 1.0399422555933955
Energy: 1.0509904695483043
Energy: 1.0464071630132863
Energy: 1.0415757118184428
Energy: 1.0338973269923009
Energy: 1.0385584534482757
Energy: 1.042161874728808
Energy: 1.035430755786619
Energy: 1.0396611987982902
Energy: 1.038782644899251
Energy: 1.0341259369179452
Energy: 1.0385198532261948
Energy: 1.0441464028426561
Energy: 1.0311342064126174
Energy: 1.0337874889801197
Energy: 1.0307770886415084
Energy: 1.073732026887629
Energy: 1.032904897539672
Energy: 1.141003584487079
Energy: 1.0776619343665725
Energy: 1.075797553999318
Energy: 0.9689963495169901
Energy: 1.0795982647169147
Energy: 1.076365383081669
Energy: 1.1412923459579223
Energy: 1.1474793227588151
Energy: 1.1437052106133716
Energy: 0.9692203045339443
Energy: 1.1455060583065138
Energy: 1.143775380793555
Energy: 1.0441792389895779
Energy: 0.9345562189656741
Energy: 1.1009409735634954
Energy: 1.023652101662949
Energy: 0.9672039070647589
Energy: 1.0113580771574926
Energy: 1.0392597739455598
Energy: 0.9359936896325513
Energy: 0.935996952710304
Energy: 1.034887841160936
Energy: 0.9355113261787508
Energy: 0.936272897833329
Energy: 1.0362217656268573
Energy: 1.056109462036727
Energy: 1.0863030944676653
Energy: 1.0249709514155083
Energy: 1.079155129897282
Energy: 1.0096347043515757
Energy: 1.0015972203331844
Energy: 1.0877179989150914
Energy: 1.0896829078468688
Energy: 1.010403014742246
Energy: 1.1610372821670414
Energy: 1.0185657839178972
Energy: 1.0368926398932141
Energy: 1.0336160760876874
Energy: 1.033866559144817
Energy: 0.9849617852703255
Energy: 0.9701466296012652
Energy: 1.0350367244191758
Energy: 1.1867228998670059
Energy: 1.03606105611119
Energy: 1.035676532983774
Energy: 1.0491698446371225
Energy: 1.0318188490184688
Energy: 1.0372323897646114
Energy: 1.1847063226197243
Energy: 1.021979170459272
Energy: 1.0459240741490947
Energy: 0.9881738250433718
Energy: 1.0338894541512162
Energy: 1.0368464185633226
Energy: 1.038622761968847
Energy: 1.0360843447860362
Energy: 0.9886454217790422
Energy: 0.9623015362420315
Energy: 0.969950005438949
Energy: 0.9887580848858571
Energy: 1.221297996560827
Energy: 0.9684286383975163
Energy: 0.9687431046055746
Energy: 1.0547686698930758
Energy: 0.9683775949673029
Energy: 1.1578366229388002
Energy: 1.0362532163141565
Energy: 0.9592118819078982
Energy: 0.9591364509717707
Energy: 1.0182477643963888
Energy: 0.975099456318816
Energy: 0.9891275647329602
Energy: 1.1229770846472353
Energy: 1.0132602894084692
Energy: 0.981487541970869
Energy: 0.935998484652868
Energy: 1.0122183885811868
Energy: 1.048890897004342

minimum gb energy = 0.9341520968615876 eV
minimum distance =  2.31482490796176 Angstroms
sigma value = 43


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

Energy: 1.430546689011462
Energy: 0.9558986496046391
Energy: 1.0862730184707718
Energy: 1.0220227316949042
Energy: 1.0527134256684183
Energy: 1.0220920852828907
Energy: 0.9773344690395313
Energy: 0.973176839602511
Energy: 0.9558464828854915
Energy: 1.0194144270859324
Energy: 0.9599194011045528
Energy: 0.9940259775963329
Energy: 0.9789967088888614
Energy: 0.9585756030851593
Energy: 0.9586678792579102
Energy: 1.011300012550449
Energy: 0.9569013823041866
Energy: 0.9789499078304443
Energy: 0.9787004185150847
Energy: 0.9572905249261028
Energy: 0.9790224363595693
Energy: 0.9782495884743537
Energy: 0.9558128832496234
Energy: 0.9785606511809373
Energy: 0.9773675062258887
Energy: 0.9938088832741169
Energy: 0.9957754292343081
Energy: 0.9798642456383885
Energy: 0.9997326120642022
Energy: 0.9975555681416601
Energy: 0.9793762523444817
Energy: 0.9955231762557853
Energy: 1.0178431531403274
Energy: 1.0134410454577742
Energy: 0.9802702866415248
Energy: 0.9999463191735126
Energy: 0.9787621625555986
Energy: 0.9789699586666515
Energy: 0.9805229705411637
Energy: 0.9590387327180406
Energy: 0.9781129359765415
Energy: 0.9816443130973658
Energy: 1.1161696960363947
Energy: 0.9789097463984003
Energy: 0.9789362355531077
Energy: 0.9539456856918962
Energy: 0.9786661998225467
Energy: 0.9790068115097911
Energy: 0.9703445792454441
Energy: 0.9777741897007739
Energy: 0.9792025091966801
Energy: 0.9708130094906505
Energy: 0.9785783591862133
Energy: 0.9808285465544999
Energy: 1.1561493024662708
Energy: 0.9744313389244934
Energy: 0.9747419764116793
Energy: 0.9615672619411637
Energy: 0.974561220309366
Energy: 0.9752804524642215
Energy: 0.9568508377083244
Energy: 0.9921224550279762
Energy: 0.9914474893209128
Energy: 0.9726487909358776
Energy: 0.9702602363580491
Energy: 0.9550371819607131
Energy: 0.9816121803476019
Energy: 0.9784975001676589
Energy: 0.9785783642225043
Energy: 1.0048508005578172
Energy: 0.9782531756120959
Energy: 0.9787235522223121
Energy: 1.1575373050441293
Energy: 0.9792912249802367
Energy: 0.9958356166250829
Energy: 0.955074089634942
Energy: 0.9793027815275633
Energy: 0.9958001308543559
Energy: 0.9561390153050601
Energy: 1.028725851225787
Energy: 0.9859768392160293
Energy: 0.971913660963651
Energy: 0.9831894414074119
Energy: 0.9563189021138991
Energy: 0.9567995179981239
Energy: 1.0097844748005282
Energy: 0.96225930863638
Energy: 0.9579400108081305
Energy: 1.0363352686033367
Energy: 0.9618585824618359
Energy: 0.9549209080045787
Energy: 1.012297567337873
Energy: 0.9554797317628232
Energy: 0.9552269045443507
Energy: 0.9800783905392781
Energy: 0.9557242333670946
Energy: 0.9586170425054517
Energy: 0.9580480180600995
Energy: 0.9587342406310073
Energy: 0.9584459314379231
Energy: 0.9518065754262827
Energy: 0.9586919912869212
Energy: 0.9577920757152187
Energy: 0.9563260829546839
Energy: 0.9573119045179023
Energy: 1.0038836240982172
Energy: 0.9545866110697376
Energy: 0.9568016800048014
Energy: 0.9663824351156292
Energy: 0.9562343020866055
Energy: 0.9569221894847292
Energy: 0.9885633480818156
Energy: 0.9571471009792918
Energy: 0.9774287787352279
Energy: 1.0735052129451947
Energy: 0.9566092552398373
Energy: 0.956291950783045
Energy: 0.9754087311043478
Energy: 0.9570592490671825
Energy: 0.975869020944322
Energy: 0.9569027506082931
Energy: 0.9599232632384702
Energy: 0.955331805527762
Energy: 1.0032498876790417
Energy: 0.9530591316115065
Energy: 0.9559957059913746
Energy: 1.1221981436159558
Energy: 0.9961503650950246
Energy: 1.039676235999789
Energy: 1.0199467863931335
Energy: 0.9525927164807185
Energy: 1.0334559593677624
Energy: 1.0027689636168322
Energy: 0.9566876172313085
Energy: 0.9569845044172114
Energy: 0.9752565293556464
Energy: 0.9775113157933283
Energy: 0.9554105638234308
Energy: 1.0737919103995126
Energy: 0.9585347903731926
Energy: 0.9588569860717274
Energy: 0.9519269284689748
Energy: 1.095327098496476
Energy: 0.9584832954745334
Energy: 1.002086988636351
Energy: 0.9574692709223388
Energy: 0.9581905402467579
Energy: 0.9985327450347415
Energy: 0.9570153922321322
Energy: 0.9594166660237966
Energy: 1.0382605067775645
Energy: 0.9567712495834881
Energy: 0.9568853634034657
Energy: 0.9566830801577798
Energy: 0.9560235358035821
Energy: 0.9733636889636834
Energy: 1.0376607021019837
Energy: 0.9554890076004877
Energy: 0.9558317788904178
Energy: 0.9587078804535188
Energy: 0.9543672327915718
Energy: 0.9556885211603503
Energy: 1.017439159338748
Energy: 0.974791801294305
Energy: 0.9866344529244162
Energy: 0.9778338968418323
Energy: 0.9600765861234246
Energy: 0.9802991440011012
Energy: 0.9806361322072645
Energy: 0.9759300539119917
Energy: 0.9759604074622978
Energy: 0.9793592548979649
Energy: 0.9511091960516772
Energy: 0.9759455343989607
Energy: 0.9782394788424403
Energy: 0.9747588550190693
Energy: 0.9856079556207733
Energy: 1.015199327053583
Energy: 0.9717482793979799
Energy: 0.9880891662846731
Energy: 1.2567491251416858
Energy: 1.0067752948055477
Energy: 0.9530168434963805
Energy: 0.9933499271835643
Energy: 1.028148011906031
Energy: 0.9551884642995941

minimum gb energy = 0.9511091960516772 eV
minimum distance =  2.31493449286461 Angstroms
sigma value = 57


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

Energy: 1.2560927804612754
Energy: 0.9807358486478506
Energy: 1.0244358156180953
Energy: 0.899246771333336
Energy: 4.097921935774753
Energy: 1.0206730375490647
Energy: 0.961577904462139
Energy: 0.9705526781947462
Energy: 0.9548070729529224
Energy: 0.9753824382770789
Energy: 0.9718732101390178
Energy: 0.9497303807024295
Energy: 0.96156977147484
Energy: 0.8977036821252877
Energy: 0.8966366689022227
Energy: 0.962226672927312
Energy: 0.8968402936221556
Energy: 0.8981882327104904
Energy: 0.9618081479851215
Energy: 0.8965913387023743
Energy: 0.8965592060011048
Energy: 0.962323594285392
Energy: 0.8986342067792702
Energy: 0.9678720626278821
Energy: 0.9604947559092565
Energy: 0.9397973630242689
Energy: 0.9372509164296419
Energy: 0.9540774649115311
Energy: 0.9380362847788153
Energy: 0.9380544453268527
Energy: 0.8979347568742196
Energy: 0.9394500643914133
Energy: 0.9367982037365937
Energy: 0.9393256119614355
Energy: 0.9383637441985198
Energy: 0.936707597736348
Energy: 0.9700695805306335
Energy: 0.9616406214318962
Energy: 0.9685646218539146
Energy: 0.9389705631218845
Energy: 0.9626652349586832
Energy: 0.958312210977958
Energy: 0.9533993085072435
Energy: 0.9610760840451604
Energy: 0.9663561381955292
Energy: 0.9642158903930839
Energy: 0.9601730327118366
Energy: 1.0293091410935946
Energy: 0.9676658031818287
Energy: 0.962574034986356
Energy: 0.9719984023657756
Energy: 0.9695810635070231
Energy: 0.9652898555943277
Energy: 0.9527216974934029
Energy: 1.0820691594453222
Energy: 0.9612878701684278
Energy: 0.9558767633965225
Energy: 1.0297679444251224
Energy: 1.0221173059771815
Energy: 0.9580990491540744
Energy: 0.9646195700724716
Energy: 0.9312398254613372
Energy: 0.9725179494726823
Energy: 0.9773132212762379
Energy: 0.9310303908298463
Energy: 0.9663884086199528
Energy: 0.8953971317705645
Energy: 0.965904926426002
Energy: 0.9626814506727932
Energy: 0.8964171189188086
Energy: 0.9782222539911954
Energy: 1.0224547369155805
Energy: 0.89457289401441
Energy: 1.0270457935577868
Energy: 1.0177586958437979
Energy: 1.0168543413970939
Energy: 0.9641749859486218
Energy: 1.0204718350310171
Energy: 0.9637111533142049
Energy: 0.9375514440840884
Energy: 0.9384316579480689
Energy: 0.9709988946168119
Energy: 0.9698206408127334
Energy: 0.9534773913003224
Energy: 0.9658280559076761
Energy: 0.9018328545977873
Energy: 0.9033446367255196
Energy: 0.9648996915865644
Energy: 1.0259526477929848
Energy: 1.0286616071550483
Energy: 0.9595580006198956
Energy: 0.9506755578333688
Energy: 0.9520304486865273
Energy: 0.9615611756957672
Energy: 0.9376915735588469
Energy: 0.9548907093128911
Energy: 0.9610532159078925
Energy: 0.9388879155270279
Energy: 0.9386381014143985
Energy: 0.9368440028131898
Energy: 0.9367896218186582
Energy: 0.9389515999875571
Energy: 0.9618360554430267
Energy: 0.9393153948583925
Energy: 0.9371703410079133
Energy: 0.9380669515281742
Energy: 0.9549494110828373
Energy: 0.9370704518327719
Energy: 0.9708987985476387
Energy: 0.9626323605632197
Energy: 0.9633895367501885
Energy: 0.9387753623017093
Energy: 0.9616943013019231
Energy: 0.9698115683321528
Energy: 0.9708305253325706
Energy: 0.9656188839409672
Energy: 0.967426819482815
Energy: 0.9381105983648511
Energy: 0.964473341750263
Energy: 0.9696458948245399
Energy: 0.9724906524008428
Energy: 0.9550004759407809
Energy: 0.9389164558041391
Energy: 0.9728990417353058
Energy: 0.9692228095040202
Energy: 0.9498708791084198
Energy: 1.0855188027111122
Energy: 1.0269766499661201
Energy: 0.9633063167718473
Energy: 0.9627179776922478
Energy: 1.0257066923069142
Energy: 0.9605194465205145
Energy: 0.9638204841779788
Energy: 0.9706483505902797
Energy: 0.9391061109126692
Energy: 0.9714263238256707
Energy: 0.969639128604213
Energy: 0.9399315281476261
Energy: 0.8947484816955451
Energy: 1.0258946875274806
Energy: 1.0176956281169733
Energy: 1.0179385347531742
Energy: 0.9652971133918783
Energy: 1.0205558592522177

minimum gb energy = 0.89457289401441 eV
minimum distance =  2.28590008368617 Angstroms
sigma value = 17


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

Energy: 1.160268418621198
Energy: 0.9767274958601463
Energy: 1.0610859534328958
Energy: 1.0548417812019437
Energy: 0.9773159820395344
Energy: 0.8790754439032229
Energy: 0.9833286265354959
Energy: 0.9807477917840924
Energy: 0.9260466925510109
Energy: 0.9837788971300575
Energy: 0.981412176279033
Energy: 0.924980848866065
Energy: 0.985570516866059
Energy: 0.8809984595255146
Energy: 0.8815616808612128
Energy: 0.9827193822998086
Energy: 0.8811118822453652
Energy: 0.8814991228019813
Energy: 0.9803291895184082
Energy: 0.8818918870065234
Energy: 0.8810090746732635
Energy: 0.9818780410991615
Energy: 0.9177376251398923
Energy: 0.9776304307926544
Energy: 0.8686855200331062
Energy: 0.8554485178386733
Energy: 0.8539613403218266
Energy: 0.869296169131339
Energy: 0.8550342565980423
Energy: 0.8899642851235054
Energy: 0.8843130925083906
Energy: 0.8560407269899364
Energy: 0.9267380758576272
Energy: 0.821844342319776
Energy: 0.8551209962915246
Energy: 0.822699375672722
Energy: 0.8546906850773998
Energy: 0.853357187516177
Energy: 0.8925713995079182
Energy: 0.8535019011952926
Energy: 0.8550192581252756
Energy: 0.8939899299316683
Energy: 0.8550388028634873
Energy: 0.9299231891125466
Energy: 0.9504148969243774
Energy: 0.930282811664502
Energy: 0.932928767952711
Energy: 0.9496306743256838
Energy: 0.8565317889886658
Energy: 0.9263328268069664
Energy: 0.8934579845852191
Energy: 0.858350718893069
Energy: 0.8626576530607656
Energy: 0.8938144620530091
Energy: 0.8536561405647313
Energy: 0.8553709201832246
Energy: 0.8915730656444442
Energy: 0.854248708628402
Energy: 0.8672328205824809
Energy: 0.8908277636893926
Energy: 0.8549085684175648
Energy: 0.8907059635169389
Energy: 0.8904270039580108
Energy: 0.8547040659737679
Energy: 0.9581108694376118
Energy: 0.8903443538538643
Energy: 0.8659847563033097
Energy: 0.9778536683437984
Energy: 0.9780178790568486
Energy: 0.8513010996158076
Energy: 0.9797795349786064
Energy: 0.9811830173559386
Energy: 0.9739047686648123
Energy: 0.9838142547662996
Energy: 0.9844078401273687
Energy: 0.9217322714546755
Energy: 0.9830334116871489
Energy: 0.9862255706192763
Energy: 0.9929010221715656
Energy: 0.9830853640423123
Energy: 0.9237344605087914
Energy: 0.9930597482312401
Energy: 0.9834641039366717
Energy: 0.9239548832742639
Energy: 0.9888911214577472
Energy: 0.9721941605245035
Energy: 0.9725944913865224
Energy: 0.9831990524260263
Energy: 0.9777505199660557
Energy: 0.9696910219328599
Energy: 1.0321773395004823
Energy: 1.0264894396174138
Energy: 0.9505811034228263
Energy: 0.9787191895277537
Energy: 0.9927725076261804
Energy: 0.9805969429657406
Energy: 0.9612745969629939
Energy: 0.9821562287799637
Energy: 1.069421896320686
Energy: 0.8813784782407205
Energy: 0.9841173795924488
Energy: 1.0692949957956839

minimum gb energy = 0.821844342319776 eV
minimum distance =  2.32045063369513 Angstroms
sigma value = 17


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

Energy: 1.5625886617000428
Energy: 0.9893871442920027
Energy: 0.9199975125668596
Energy: 0.8849840648844417
Energy: 1.3331208342179526
Energy: 0.8826303517446242
Energy: 1.0538045082766194
Energy: 0.9527115508890792
Energy: 0.9178881428931346
Energy: 0.9720070878844581
Energy: 0.9752749621539275
Energy: 0.915253545354121
Energy: 1.147293530568766
Energy: 0.7892064883115582
Energy: 0.8834677386335561
Energy: 0.9721096491625097
Energy: 0.7975673459906301
Energy: 0.883396290119852
Energy: 0.9764434804019555
Energy: 0.8828541552262765
Energy: 0.8829690621467841
Energy: 0.977879203367555
Energy: 0.7940351964144843
Energy: 0.8828251433624752
Energy: 0.8509705172514146
Energy: 0.839812387925632
Energy: 0.840028629854235
Energy: 0.8518914065069869
Energy: 0.8393346802913845
Energy: 0.8681699491598307
Energy: 0.9300786416262897
Energy: 0.8374212269495616
Energy: 0.7926191172845019
Energy: 0.7995103781074037
Energy: 0.8371619769392934
Energy: 0.7934447071996572
Energy: 0.7761541788147079
Energy: 0.8384361597853522
Energy: 0.8517030526768625
Energy: 0.810164546497396
Energy: 0.8410411280642942
Energy: 0.8513380902183606
Energy: 0.7775438976481598
Energy: 0.7661358696956136
Energy: 0.7767030526368977
Energy: 0.7781969188070401
Energy: 0.8634709466083252
Energy: 0.7761478872889925
Energy: 0.7774895650215574
Energy: 0.8329991902381325
Energy: 0.7762130457897198
Energy: 0.7790346850738495
Energy: 0.8285342393256797
Energy: 0.7771057586637944
Energy: 0.7762008443893827
Energy: 0.8674754575993044
Energy: 0.866255686623941
Energy: 0.776050888446465
Energy: 0.8365011082124588
Energy: 0.8635143261422785
Energy: 0.7764673844204804
Energy: 0.7777581470306636
Energy: 0.8709959177736013
Energy: 0.8344852719946321
Energy: 0.7768304733851118
Energy: 0.8604279688264385
Energy: 0.7804403946802525
Energy: 0.7774774284788567
Energy: 0.7773021797861189
Energy: 0.7937106985881285
Energy: 0.781851883405566
Energy: 0.7773586350461149
Energy: 0.8385976799875653
Energy: 0.7784406228309523
Energy: 0.7759534827226086
Energy: 0.8579030800740327
Energy: 0.7779953243695024
Energy: 0.777043733715658
Energy: 0.8400476133147513
Energy: 0.8403974688937037
Energy: 0.8416415674787907
Energy: 0.8412893954917489
Energy: 0.808015777542866
Energy: 0.837410995817002
Energy: 0.8378358966320546
Energy: 0.77846040925116
Energy: 0.8356560862859285
Energy: 0.8373936634846887
Energy: 0.7774218399627263
Energy: 0.8902093333624941
Energy: 0.8398833884199317
Energy: 0.8376158042189279
Energy: 0.8679899539865583
Energy: 0.838466628333855
Energy: 0.8525156966154788
Energy: 0.8678395065380569
Energy: 0.7765670105201484
Energy: 0.9733209761323497
Energy: 0.97333652068728
Energy: 0.848010127002367
Energy: 0.9733070911651973
Energy: 0.8367644926767943
Energy: 0.853165968729716
Energy: 0.9745978182901842
Energy: 0.9747977504466894
Energy: 0.8850786010583095
Energy: 0.9742590417018495
Energy: 0.8367795230551577
Energy: 0.8378301021046298
Energy: 0.9744305405765121
Energy: 0.9182410870287588
Energy: 0.8520435062924413
Energy: 0.8508229416612442
Energy: 0.8383053322897364
Energy: 0.9804172409888672
Energy: 0.8415188557583226
Energy: 0.8366091605912916
Energy: 0.9733974553598925
Energy: 0.8414567910513527
Energy: 0.9696531052411532
Energy: 1.0581262596766607
Energy: 0.9498345620936758
Energy: 0.9168216353776626
Energy: 0.9738861189050118
Energy: 0.9768109376166977
Energy: 0.9173895061725174
Energy: 0.7899142537650411
Energy: 0.9800401632640229
Energy: 1.0581870582567048
Energy: 0.8818651523672948
Energy: 0.9770914342720994
Energy: 0.8823798900651387
Energy: 0.7940883890248747
Energy: 0.9746527668221263
Energy: 0.9735800551621985
Energy: 0.7969274322462467
Energy: 0.9794330245256874
Energy: 0.927944689417254
Energy: 1.1371361086541754
Energy: 0.9030245513149957
Energy: 0.92058034997444
Energy: 0.9745729563588278
Energy: 0.7895850645387337
Energy: 0.972438406211829
Energy: 0.9709360895962857
Energy: 0.793793972758097
Energy: 0.8832755214220187
Energy: 0.9710054811203349
Energy: 0.794128342272624
Energy: 0.8838522325170095
Energy: 0.8533230792599262
Energy: 0.840660438201647
Energy: 0.840186153810096
Energy: 0.8538070852481052
Energy: 0.8409601583384818
Energy: 0.8693037687344017
Energy: 0.9332363631703047
Energy: 0.8416703276061591
Energy: 0.8400520252968102
Energy: 0.7950371116350434
Energy: 0.8421152297901703
Energy: 0.7958630113519964
Energy: 0.7617209804653251
Energy: 0.838570800917877
Energy: 0.8383570261204829
Energy: 0.8373747857312005
Energy: 0.8396052044987813
Energy: 0.8380128550295638
Energy: 0.7783192955403766
Energy: 0.8153554791592998
Energy: 0.863129153393149
Energy: 0.7852866763481573
Energy: 0.8529579393789859
Energy: 0.8644691726345304
Energy: 0.776407056096221
Energy: 0.8610772071180062
Energy: 0.8581173407481589
Energy: 0.7763870983119282
Energy: 0.863535933816895
Energy: 0.779393992882204
Energy: 0.7826176934883793
Energy: 0.8603933979161225
Energy: 0.8607465530496198
Energy: 0.7840617576919652
Energy: 0.8646724307091718
Energy: 0.8225474398503516
Energy: 0.7766809399526877
Energy: 0.861842498804123
Energy: 0.8714022018635791
Energy: 0.830147245715017
Energy: 0.8669359953694811
Energy: 0.8688623551405475
Energy: 0.7904342423245521
Energy: 0.7774265472033809
Energy: 0.7776243596997859
Energy: 0.7919367057749183
Energy: 0.7776643522191536
Energy: 0.7773542695046802
Energy: 0.8932995518472819
Energy: 0.8769578662332403
Energy: 0.8621714799408552
Energy: 0.8711877896558138
Energy: 0.7775249874928604
Energy: 0.8622172532836658
Energy: 0.8461667704057605
Energy: 0.8318663808116108
Energy: 0.8333623726505155
Energy: 0.8394919790093416
Energy: 0.8331994226898796
Energy: 0.8690317283104649
Energy: 0.8391762442899977
Energy: 0.7750762273518567
Energy: 0.8674551519131554
Energy: 0.839262218255576
Energy: 0.7759275230623222
Energy: 0.8383009334665747
Energy: 1.0727368622211457
Energy: 0.8670722071495213
Energy: 0.8671392809856602
Energy: 0.8441569012059849
Energy: 0.8476824360316092
Energy: 0.8674371039124518
Energy: 0.7752108143737112
Energy: 0.9723314221538149
Energy: 0.8402867813751732
Energy: 0.8612956887008896
Energy: 0.975140167171243
Energy: 0.9186155945975221
Energy: 0.8606423357342181
Energy: 0.9715919046505492
Energy: 0.8386423646070009
Energy: 0.8380131055841953
Energy: 0.9721412569619954
Energy: 0.8386315746997185
Energy: 0.8386433719890497
Energy: 0.9525561066627465
Energy: 0.951378995747286
Energy: 0.8519972071770247
Energy: 0.9771290747757837
Energy: 0.9147830953093731
Energy: 1.079743967421907
Energy: 0.837504056656979
Energy: 0.9670221642321681
Energy: 0.979693006741582
Energy: 0.8365260913706175
Energy: 0.9700552768423617
Energy: 1.1368761554244846
Energy: 0.9146789498274955
Energy: 0.9192128653047401
Energy: 0.9792470344575666
Energy: 0.8525468833196184
Energy: 0.9496279098747753
Energy: 0.7950276507198859
Energy: 0.9753293299702271
Energy: 0.9735669591630843
Energy: 0.7886416416542364
Energy: 1.0285149141950722
Energy: 1.0047333949650998

minimum gb energy = 0.7617209804653251 eV
minimum distance =  2.28212172784271 Angstroms
sigma value = 57


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

Energy: 0.9032660481812741
Energy: 0.9425270426149301
Energy: 0.9290013883233125
Energy: 0.8077569257797982
Energy: 1.2504739695180587
Energy: 0.9296273139647021
Energy: 1.0130999094148017
Energy: 0.8297037844838862
Energy: 0.8270011642837174
Energy: 0.926592086701145
Energy: 0.8307289277333157
Energy: 0.911459822436643
Energy: 1.0935130944788525
Energy: 0.8214709768840931
Energy: 0.7777949985471065
Energy: 0.9564554077469867
Energy: 0.8208302491882166
Energy: 0.869560942807621
Energy: 0.9354905815041161
Energy: 0.7974173774936122
Energy: 0.8693694174038259
Energy: 0.8273699865018772
Energy: 0.78147040417029
Energy: 0.8684550733071402
Energy: 0.8132480517077838
Energy: 0.8306502589242579
Energy: 0.8261815387591156
Energy: 0.8121944689140725
Energy: 0.8255415992746074
Energy: 0.8454660982583575
Energy: 0.81909327468044
Energy: 0.8240772178474872
Energy: 0.7863924821189504
Energy: 0.7316056358809551
Energy: 0.8235330639798869
Energy: 0.8036014336253436
Energy: 0.7507343746510322
Energy: 0.8300852719422881
Energy: 0.8281804770473777
Energy: 0.8079211926095372
Energy: 0.8306755121200233
Energy: 0.8433676785681693
Energy: 0.7553477945291641
Energy: 0.813791855718537
Energy: 0.8307079470433932
Energy: 0.7584812905404388
Energy: 0.8164811714773269
Energy: 0.7773293305073977
Energy: 0.7554012978048513
Energy: 0.7520854863544123
Energy: 0.7517929922421144
Energy: 0.7574432602195789
Energy: 0.817366149255429
Energy: 0.7519657930351297
Energy: 0.7517572250470351
Energy: 0.8066960461725163
Energy: 0.8095908055386022
Energy: 0.7516265693198785
Energy: 0.7252544181708852
Energy: 0.8117442600571962
Energy: 0.7291943540702527
Energy: 0.7186686586134359
Energy: 0.8139041368717139
Energy: 0.8071705464473157
Energy: 0.7189471597904004
Energy: 0.8182083473554669
Energy: 0.7569791617945079
Energy: 0.7288727338753607
Energy: 0.7186136819760786
Energy: 0.8066945096049523
Energy: 0.7238756156244877
Energy: 0.7723887848934609
Energy: 0.7191597483727025
Energy: 0.8098976461096091
Energy: 0.8080589409908127
Energy: 0.807629674771578
Energy: 0.78594293488316
Energy: 0.8079827787106517
Energy: 0.7194568002377442
Energy: 0.8081852935583399
Energy: 0.718928635366725
Energy: 0.7216142871069742
Energy: 0.7750393911694408
Energy: 0.7188427645413337
Energy: 0.7186805738723879
Energy: 0.7725796621499523
Energy: 0.8165494704080697
Energy: 0.7180141494009272
Energy: 0.8284304627610953
Energy: 0.8445871031166491
Energy: 0.7699308428089868
Energy: 0.7556924070622204
Energy: 0.8235681317617645
Energy: 0.7213560779453267
Energy: 0.764720158061731
Energy: 0.8101223140342276
Energy: 0.7861176273649436
Energy: 0.7523817458257298
Energy: 0.7515203988714279
Energy: 0.8100200511253709
Energy: 0.7604056974128585
Energy: 0.753349082808636
Energy: 0.7233338830133164
Energy: 0.7580760304692727
Energy: 0.8050467300428066
Energy: 0.8514664597249518
Energy: 0.7587313935649337
Energy: 0.8180940098681682
Energy: 0.8235596698549292
Energy: 0.8108956710267174
Energy: 0.804779793993896
Energy: 0.8253801325534835
Energy: 0.7775370942977835
Energy: 0.8235777367439241
Energy: 0.8221834506864685
Energy: 0.7546449665464441
Energy: 0.7551337721852087
Energy: 0.8462665630034101
Energy: 0.7534495714961837
Energy: 0.8248773789379844
Energy: 0.935250995637182
Energy: 0.8248062514963465
Energy: 0.8600000262139471
Energy: 0.8252819018853124
Energy: 0.866790669880355
Energy: 0.8733681481662139
Energy: 0.7196098291925063
Energy: 0.9481688934398568
Energy: 0.8234335835533091
Energy: 0.754996200631756
Energy: 0.9479291542526301
Energy: 0.8228191917337778
Energy: 0.7583061654718274
Energy: 0.9563337748109837
Energy: 0.9470740875614825
Energy: 0.7569399108040414
Energy: 0.9541088679537416
Energy: 0.9465277067408906
Energy: 1.0176462663700376
Energy: 0.8242623964489801
Energy: 0.9001039945907527
Energy: 0.8284713033000949
Energy: 0.8806021143945324
Energy: 0.8243611551056886
Energy: 1.0968157321985375
Energy: 0.8264954483509721
Energy: 0.8292845669136898
Energy: 0.9541697988075216
Energy: 0.8223595056582068
Energy: 0.9384389829661978
Energy: 1.096627655287555
Energy: 0.9295262042879306
Energy: 0.94682072476951
Energy: 0.9227069766697631
Energy: 0.9237996595431053
Energy: 0.8958828909443194
Energy: 0.7260653034270813
Energy: 0.9537393373091901
Energy: 0.8694260875459192
Energy: 0.7750542502031146
Energy: 0.9474936285219148
Energy: 0.8694804618917376

minimum gb energy = 0.7180141494009272 eV
minimum distance =  2.2873607045848 Angstroms
sigma value = 43


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

Energy: 0.8031539590604408
Energy: 0.8360893061524604
Energy: 0.8452416406863922
Energy: 0.72331304140428
Energy: 0.9217224223294663
Energy: 0.783992264369134
Energy: 0.8912986658473249
Energy: 0.7561541330864349
Energy: 0.780406255622411
Energy: 0.832313576205489
Energy: 0.7560544552074285
Energy: 0.7528903048606514
Energy: 0.957380670765643
Energy: 0.7236541652206521
Energy: 0.7373175041300069
Energy: 0.8494888157010984
Energy: 0.723390615543956
Energy: 0.7135262180648883
Energy: 0.8397061136232102
Energy: 0.7366161845579903
Energy: 0.7136238820638817
Energy: 0.7551103466581063
Energy: 0.6764560283838208
Energy: 0.7895166314189572
Energy: 0.6638831728747243
Energy: 0.752468178858724
Energy: 0.7609863928008734
Energy: 0.6731229379745859
Energy: 0.7559359211084665
Energy: 0.7723182140052766
Energy: 0.615467625066036
Energy: 0.7527541765196815
Energy: 0.7197769658616406
Energy: 0.6990772598760167
Energy: 0.7523547070487905
Energy: 0.6966250460476109
Energy: 0.8740474524424545
Energy: 0.7523536849339558
Energy: 0.7531356918606179
Energy: 0.7020230572186025
Energy: 0.752982884945255
Energy: 0.7181790770090793
Energy: 0.8701827193658426
Energy: 0.6993805596335309
Energy: 0.7110543098204981
Energy: 0.6892383546031983
Energy: 0.6981861622543938
Energy: 0.7186762156510607
Energy: 0.6916408956208323
Energy: 0.66403482254951
Energy: 0.6888963447369728
Energy: 0.6936521744904248
Energy: 0.6332406614881496
Energy: 0.6889523208366627
Energy: 0.6656103080267562
Energy: 0.6821872287056203
Energy: 0.6995784764904788
Energy: 0.6738664514479965
Energy: 0.6826655312585412
Energy: 0.701119119218579
Energy: 0.6102700380481106
Energy: 0.6482637137211811
Energy: 0.649152363974049
Energy: 0.6884837346354394
Energy: 0.6482035970590689
Energy: 0.6995139612214686
Energy: 0.6899336940179895
Energy: 0.6485561061758783
Energy: 0.6489664446765055
Energy: 0.6965251457431783
Energy: 0.648986038840458
Energy: 0.6984594388146437
Energy: 0.6278697979240547
Energy: 0.6884815910894659
Energy: 0.6954473098805312
Energy: 0.6966555309683004
Energy: 0.688475809332326
Energy: 0.6963677959796615
Energy: 0.6249048940555706
Energy: 0.6257614326377203
Energy: 0.6246000244864124
Energy: 0.626469507192645
Energy: 0.6133192927270485
Energy: 0.6244504702401603
Energy: 0.6246645448127592
Energy: 0.6863568845165577
Energy: 0.6804145076437025
Energy: 0.6247256382051137
Energy: 0.6672086225830496
Energy: 0.6836777740383567
Energy: 0.6150443203145929
Energy: 0.6130528081808024
Energy: 0.6140454875629042
Energy: 0.6866439360390376
Energy: 0.6132008246906241
Energy: 0.6865800351537628
Energy: 0.6289916093930326
Energy: 0.6132137649552939
Energy: 0.6229637060472221
Energy: 0.6844813897551545
Energy: 0.6136192280786503
Energy: 0.684147416040425
Energy: 0.6138248009701703
Energy: 0.6826453838954014
Energy: 0.6841096164835033
Energy: 0.6130698472648968
Energy: 0.6797865478032402
Energy: 0.6865943496574094
Energy: 0.6137717343481041
Energy: 0.6139275375258791
Energy: 0.6131244039055805
Energy: 0.6154431437577628
Energy: 0.6801650485669308
Energy: 0.6138346280590019
Energy: 0.6133481802927888
Energy: 0.6865197123104823
Energy: 0.6874153956031736
Energy: 0.6135896914027947
Energy: 0.6873332726284697
Energy: 0.6899409341563677
Energy: 0.6525898524094417
Energy: 0.6247395633132843
Energy: 0.6254518147581062
Energy: 0.6880427867244627
Energy: 0.624847116219609
Energy: 0.6882443767159065
Energy: 0.6185036051316145
Energy: 0.6242505360343914
Energy: 0.6248395566140017
Energy: 0.6924267404250324
Energy: 0.624505125717226
Energy: 0.6951365014435572
Energy: 0.6500208564138329
Energy: 0.6756689563479652
Energy: 0.690270335807072
Energy: 0.6494919686294824
Energy: 0.6347567373423043
Energy: 0.6863612713928573
Energy: 0.6485298865173407
Energy: 0.6501035108450615
Energy: 0.6486819392148813
Energy: 0.6506668145319392
Energy: 0.6354160675188035
Energy: 0.6485856899050574
Energy: 0.8441141581120776
Energy: 0.6942924221876647
Energy: 0.7017428758410281
Energy: 0.682563551691617
Energy: 0.6944164887684459
Energy: 0.7024669467095814
Energy: 0.7878945428814198
Energy: 0.6893875968697059
Energy: 0.6982491403077357
Energy: 0.6962457304490663
Energy: 0.6897730429162521
Energy: 0.7091185282903464
Energy: 0.6133353695391722
Energy: 0.6890640104935691
Energy: 0.6990104817241123
Energy: 0.6945352697090239
Energy: 0.6891908456877273
Energy: 0.7104441921847402
Energy: 0.6488972785186498
Energy: 0.6899622576194733
Energy: 0.7154636721504012
Energy: 0.6494095903396393
Energy: 0.6907718710829953
Energy: 0.7293372701720404
Energy: 0.7554190215108595
Energy: 0.6887693642637297
Energy: 0.7526958785026346
Energy: 0.7573887987173749
Energy: 0.6479523368407997
Energy: 0.7528566550207969
Energy: 0.9056452597994655
Energy: 0.711417558310554
Energy: 0.737503345860007
Energy: 0.7536902153132246
Energy: 0.7105439332196798
Energy: 0.7189956859316459
Energy: 0.9028971641710368
Energy: 0.7554718489931143
Energy: 0.7687534836472975
Energy: 0.7537771865385685
Energy: 0.7552872627746822
Energy: 0.7610198391513359
Energy: 0.6248261287295265
Energy: 0.8329822852041042
Energy: 0.7517557518389371
Energy: 0.6963273678130026
Energy: 0.8492835084878064
Energy: 0.7076293440979707
Energy: 0.6892130234352415
Energy: 0.8241509800990149
Energy: 0.8098423547172562
Energy: 0.7000762398579399
Energy: 0.8316589160551611
Energy: 0.7734337769242021
Energy: 0.9043670553994875
Energy: 0.7522482187678129
Energy: 0.751800804931395
Energy: 0.7554058007448974
Energy: 0.6910256953531865
Energy: 0.837567163266302
Energy: 0.9591540494974541
Energy: 0.7096463947486288
Energy: 0.7755259667772747
Energy: 0.8511639676224303
Energy: 0.7243588632002155
Energy: 0.7524535786119269
Energy: 0.9195167584364033
Energy: 0.8246245806927535
Energy: 0.8110813682037199
Energy: 0.8342035457519887
Energy: 0.8312525028294214
Energy: 0.7784644003242015

minimum gb energy = 0.6102700380481106 eV
minimum distance =  2.3359641440058 Angstroms
sigma value = 81


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

Energy: 0.06931855437280877
Energy: 0.22132758073123746
Energy: 0.06965631150203816
Energy: 0.07298533497124902
Energy: 0.07047847985101817
Energy: 0.07002213747697841
Energy: 0.12291491460892678
Energy: 0.12133502322476443
Energy: 0.07130443111254778
Energy: 0.07034679688448518
Energy: 0.07314607458681195
Energy: 0.12172623493287231
Energy: 0.16599462458964287
Energy: 0.07006505697203674
Energy: 0.07019386432147824
Energy: 0.12157817308592415
Energy: 0.06991037839326034
Energy: 0.12270376929905492
Energy: 0.074864598407868
Energy: 0.07006707712717461
Energy: 0.0714358431312358
Energy: 0.12137383213572868
Energy: 0.06991185412990845
Energy: 0.12168268334290601
Energy: 0.12181801862071345
Energy: 0.12130252460463616
Energy: 0.12367187282989112
Energy: 0.12260413419772992
Energy: 0.07054656188173462
Energy: 0.1216096420937596
Energy: 0.07071305183686431
Energy: 0.12235126849931958
Energy: 0.0702228447855009
Energy: 0.0724484723979151
Energy: 0.12373779942300213
Energy: 0.0700552998347179
Energy: 0.07027747614279674
Energy: 0.07081497188393304
Energy: 0.07074586984732185
Energy: 0.07051922006519482
Energy: 0.12129377619453818
Energy: 0.124595371175192
Energy: 0.12127083835308693
Energy: 0.0698330347066687
Energy: 0.06989506032390687
Energy: 0.12173914179838795
Energy: 0.06969122359553954
Energy: 0.12228180890073036
Energy: 0.07233928447282956
Energy: 0.06967601571301658
Energy: 0.1222154866153262
Energy: 0.12115132584048334
Energy: 0.070012750947519
Energy: 0.12355776460181918
Energy: 0.07249812729064667
Energy: 0.07057758715234325
Energy: 0.12164920994009006
Energy: 0.06971600943323457
Energy: 0.12141381626830577
Energy: 0.07107798171485669

minimum gb energy = 0.06931855437280877 eV
minimum distance =  2.48448687232927 Angstroms
sigma value = 3


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

Energy: 0.7783853833192429
Energy: 0.7909420392660039
Energy: 0.8107102297360839
Energy: 0.6422235481370226
Energy: 0.7910835318278258
Energy: 0.7019058249377994
Energy: 0.8093925455918555
Energy: 0.7971363935242906
Energy: 0.721608323278823
Energy: 0.7838021662936103
Energy: 0.8009410164261226
Energy: 0.7233999985659586
Energy: 0.7941098978479241
Energy: 0.7784414002412263
Energy: 0.7337147378451698
Energy: 0.7871298993633087
Energy: 0.7426022073009609
Energy: 0.7880271478330164
Energy: 0.7406077317701544
Energy: 0.7651583148305116
Energy: 0.76556609361835
Energy: 0.7405039815563884
Energy: 0.6599498111051895
Energy: 0.7974870062431039
Energy: 0.6685783529752707
Energy: 0.7234173376782059
Energy: 0.7223240354994019
Energy: 0.6690907909604753
Energy: 0.8009932302154732
Energy: 0.721895827433874
Energy: 0.6171545032590434
Energy: 0.7235566521714223
Energy: 0.7242741127477559
Energy: 0.6206344425075436
Energy: 0.7255752538523161
Energy: 0.6616789305092547
Energy: 0.7392409207066709
Energy: 0.6823880101046215
Energy: 0.6833861490420867
Energy: 0.7541955985684826
Energy: 0.6803424059651543
Energy: 0.7528374402427268
Energy: 0.7400987531004868
Energy: 0.6237260099725263
Energy: 0.6258813214053194
Energy: 0.7402583676412657
Energy: 0.5891141346959413
Energy: 0.6724113389770742
Energy: 0.6301048413675514
Energy: 0.7022555647466707
Energy: 0.7834310853209219
Energy: 0.635143388733926
Energy: 0.623148702957184
Energy: 0.7860318133737157
Energy: 0.6301424379765438
Energy: 0.6797444200539656
Energy: 0.6820670358168152
Energy: 0.62993502601457
Energy: 0.6850901034093706
Energy: 0.6818627154914343
Energy: 0.5930598642051239
Energy: 0.6852156339249558
Energy: 0.6827575491449333
Energy: 0.5967608437012775
Energy: 0.6014384835941243
Energy: 0.6258409424642857
Energy: 0.6290551877317819
Energy: 0.6806714958845101
Energy: 0.7672338573274246
Energy: 0.6290630232758702
Energy: 0.7102422290353478
Energy: 0.630327407905964
Energy: 0.6319865146541962
Energy: 0.5771999598182382
Energy: 0.5984307752784811
Energy: 0.6322664278125413
Energy: 0.5816175509202502
Energy: 0.6319656298106919
Energy: 0.5795703878033511
Energy: 0.5973846410707845
Energy: 0.632540641932702
Energy: 0.6350927041447202
Energy: 0.5970109657314402
Energy: 0.629850348623737
Energy: 0.5808545667729178
Energy: 0.5969614690063428
Energy: 0.5967283491278483
Energy: 0.5808060279918369
Energy: 0.6021664953507246
Energy: 0.5992174212361604
Energy: 0.5821672087851372
Energy: 0.5990592293634225
Energy: 0.5982618829186388
Energy: 0.585056875966961
Energy: 0.7482722987641068
Energy: 0.6290669146416109
Energy: 0.5807560072926218
Energy: 0.5989471549979033
Energy: 0.5813258730309279
Energy: 0.5808278622428097
Energy: 0.5975850659705225
Energy: 0.5807216153614376
Energy: 0.5814536571591726
Energy: 0.5816575984826065
Energy: 0.71450605366633
Energy: 0.581655063727977
Energy: 0.5807529047474839
Energy: 0.5818276797996723
Energy: 0.745712895415489
Energy: 0.5811561613733562
Energy: 0.5812810673817717
Energy: 0.5814677142097677
Energy: 0.5813492565091777
Energy: 0.6638917630299177
Energy: 0.7392343726856678
Energy: 0.5806928124773177
Energy: 0.5802236989257683
Energy: 0.581264338604704
Energy: 0.5811461555264575
Energy: 0.5816502625654163
Energy: 0.736944118783636
Energy: 0.5803945285367034
Energy: 0.629150669326972
Energy: 0.5975749179580241
Energy: 0.6289266421786746
Energy: 0.5984651994684691
Energy: 0.600196864231329
Energy: 0.5807372839646937
Energy: 0.5994418300410399
Energy: 0.5985445859904244
Energy: 0.5803589429924861
Energy: 0.5974002676745301
Energy: 0.5970073137472127
Energy: 0.6320579134163483
Energy: 0.7283561960951919
Energy: 0.5969939024624582
Energy: 0.6319329137039669
Energy: 0.6340425261376965
Energy: 0.5832718872003101
Energy: 0.6329010569999658
Energy: 0.6323313712299685
Energy: 0.5835985481068808
Energy: 0.6318276310992007
Energy: 0.6080670080203211
Energy: 0.5973407740853396
Energy: 0.6292666397928284
Energy: 0.6292815204579894
Energy: 0.5996775529646161
Energy: 0.6298329356374596
Energy: 0.6322142989945296
Energy: 0.5987508687748843
Energy: 0.6059189928823352
Energy: 0.6085691839782748
Energy: 0.6018862826569812
Energy: 0.5785994454971669
Energy: 0.6825959206328381
Energy: 0.6839395930603849
Energy: 0.6660913743451056
Energy: 0.6508574816185227
Energy: 0.6837556682374265
Energy: 0.6081548222810879
Energy: 0.6827552481206783
Energy: 0.6464152924911033
Energy: 0.6787490625140677
Energy: 0.7605514007438647
Energy: 0.6465245892709627
Energy: 0.679313174494842
Energy: 0.7603152873819582
Energy: 0.6005646414793449
Energy: 0.7416825271292686
Energy: 0.7052793014570081
Energy: 0.6040643459490795
Energy: 0.7390257380901575
Energy: 0.6415147569592892
Energy: 0.6793109513704338
Energy: 0.7545502185416136
Energy: 0.7561539724556084
Energy: 0.6794609996087994
Energy: 0.7663249886080018
Energy: 0.7543911873134337
Energy: 0.7235329881604696
Energy: 0.6394272846847519
Energy: 0.6419178912366454
Energy: 0.7223257245961228
Energy: 0.598551564559646
Energy: 0.6939021027180099
Energy: 0.7939080670616621
Energy: 0.7560777292322348
Energy: 0.7908722525050055
Energy: 0.7989727437514816
Energy: 0.6394201995670697
Energy: 0.7252581971815193
Energy: 0.690079703308136
Energy: 0.7421639458490307
Energy: 0.7560654492474226
Energy: 0.6901109794805408
Energy: 0.7450625797162437
Energy: 0.7462915346779089

minimum gb energy = 0.5771999598182382 eV
minimum distance =  2.27542098348312 Angstroms
sigma value = 67


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

Energy: 0.8500696527027585
Energy: 1.0461788195286459
Energy: 0.9550256959520681
Energy: 0.7399340870912896
Energy: 1.04455806652063
Energy: 0.9478638944742348
Energy: 0.9240261815357145
Energy: 0.9422170990992184
Energy: 0.931158271964304
Energy: 0.9233568778619095
Energy: 0.9257922516697769
Energy: 0.9312931930201286
Energy: 0.929157773123232
Energy: 0.7669986523536125
Energy: 0.8966119093942526
Energy: 0.9209352640420677
Energy: 0.7645844476009364
Energy: 0.9232213292425283
Energy: 0.8450938244963977
Energy: 0.8964299395959847
Energy: 0.9269228751054135
Energy: 0.8462807900596545
Energy: 0.8408767530366105
Energy: 0.9285177789536329
Energy: 0.8427546753051468
Energy: 0.9448641759355905
Energy: 0.9293169995937001
Energy: 0.842757232588235
Energy: 0.923403032039251
Energy: 0.9288401759424582
Energy: 0.7195044809926825
Energy: 0.9224581154397167
Energy: 0.8364930888871109
Energy: 0.7685426052295846
Energy: 0.9214638236033623
Energy: 0.8319906960686438
Energy: 0.8430816791392991
Energy: 0.8564735413752427
Energy: 0.8306333203083353
Energy: 0.8457027206823636
Energy: 0.7751429051618188
Energy: 0.8557830244542111
Energy: 0.8524630238017727
Energy: 0.7295318013421277
Energy: 0.7212116406031023
Energy: 0.8518012914837587
Energy: 0.725109873063106
Energy: 0.8494917196046552
Energy: 0.8935819363970093
Energy: 0.7766268840294588
Energy: 0.855631239836143
Energy: 0.8596183523283253
Energy: 0.7682975409667816
Energy: 0.855522283521033
Energy: 0.7255131129154523
Energy: 0.7734641063228543
Energy: 0.7692451473411143
Energy: 0.8108903010355989
Energy: 0.7719029810220132
Energy: 0.7687431997634537
Energy: 0.7244817163589099
Energy: 0.770030830579805
Energy: 0.7678953713168717
Energy: 0.7287198401452986
Energy: 0.8375328490542386
Energy: 0.72420093238968
Energy: 0.733303005607501
Energy: 0.7770637937751209
Energy: 0.726385139063423
Energy: 0.7278009099539287
Energy: 0.772941636359086
Energy: 0.7256277465178343
Energy: 0.7263841292769916
Energy: 0.735202284115204
Energy: 0.738658907404442
Energy: 0.7262940469176377
Energy: 0.7302981354516032
Energy: 0.7252932104632498
Energy: 0.8084253621443434
Energy: 0.7494014295063007
Energy: 0.7652596266602376
Energy: 0.72859772416168
Energy: 0.7253455427399523
Energy: 0.7263771660177601
Energy: 0.8120328762401776
Energy: 0.730761564214464
Energy: 0.7288493403364883
Energy: 0.8856813698809439
Energy: 0.7285051558405892
Energy: 0.7269676641702093
Energy: 0.8788221155307572
Energy: 0.7271489012336118
Energy: 0.7265951811119525
Energy: 0.7709745951100115
Energy: 0.7243120761887568
Energy: 0.7679329135722153
Energy: 0.7740950871638097
Energy: 0.7203618175037622
Energy: 0.7124575914014444
Energy: 0.7749000711592469
Energy: 0.7155375514272584
Energy: 0.7682669960261169
Energy: 0.7712775448213625
Energy: 0.8563498889045422
Energy: 0.9048197100226674
Energy: 0.7711644990454982
Energy: 0.8574386994813806
Energy: 0.7685090364362221
Energy: 0.710319018814581
Energy: 0.7279359285809914
Energy: 0.7976191821628658
Energy: 0.7392672990592416
Energy: 0.8915726294459202
Energy: 0.7973421654072993
Energy: 0.7681844783844984
Energy: 0.8688057095339929
Energy: 0.854413432454866
Energy: 0.7692434926897663
Energy: 0.8476667439774248
Energy: 0.8548421221406637
Energy: 0.8599012826344076
Energy: 0.7970504136880182
Energy: 0.8793065537827208
Energy: 0.8612087114279078
Energy: 0.8137739553254667
Energy: 0.9038463515687442
Energy: 0.9285865536310047
Energy: 0.7393176848695632
Energy: 0.7946418119702696
Energy: 0.9211939946293598
Energy: 0.7361242366575118
Energy: 0.8260393927091843
Energy: 0.8775267996009731
Energy: 0.866799982157388
Energy: 0.8538311492904042
Energy: 0.8794657400896594
Energy: 0.8530269760951327
Energy: 0.9283900337976074

minimum gb energy = 0.710319018814581 eV
minimum distance =  2.28894175966553 Angstroms
sigma value = 33


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

Energy: 1.0574192469892565
Energy: 0.9099945843068633
Energy: 1.0992877959125347
Energy: 0.8560397133097969
Energy: 0.9940666025001899
Energy: 1.0334889258163587
Energy: 1.1187466427670323
Energy: 1.0159179728730925
Energy: 1.0150618408081924
Energy: 0.9838640241188904
Energy: 1.0167190521979568
Energy: 1.013442932538473
Energy: 1.118055060409066
Energy: 0.9123821083144396
Energy: 0.9157954909239412
Energy: 0.9442823016136952
Energy: 0.9858989749561964
Energy: 1.0466010483306554
Energy: 1.029269540002375
Energy: 0.9644120804890693
Energy: 0.9107466438284236
Energy: 1.0320805347964486
Energy: 1.0165979537793992
Energy: 1.0580431346958639
Energy: 0.9781560192718461
Energy: 0.9834237976653079
Energy: 0.9786800976034378
Energy: 0.980137033590305
Energy: 0.9761241335618526
Energy: 0.9661302988217724
Energy: 0.8602260363991323
Energy: 1.0356784322212114
Energy: 1.0535054069996548
Energy: 0.9005672297201769
Energy: 1.0328765199556897
Energy: 0.861160685556883
Energy: 0.9773894366761392
Energy: 0.9451045469039019
Energy: 0.9067129549471763
Energy: 0.9794574264374815
Energy: 0.9459813772587485
Energy: 0.9875964061207101
Energy: 0.9787233512195773
Energy: 0.9432594925071641
Energy: 0.9615102899735588
Energy: 0.9806847973403675
Energy: 0.9518201837578854
Energy: 0.9053280247671492
Energy: 1.0315189342925424
Energy: 0.9617351507435598
Energy: 1.0243744138095248
Energy: 1.0051605482324486
Energy: 0.8982979589621659
Energy: 0.9368280463181582
Energy: 0.9593938251679686
Energy: 0.8991591454695046
Energy: 0.8988875986626425
Energy: 0.9223598251543772
Energy: 0.8997625919566411
Energy: 0.9142293291930298
Energy: 0.9615482444737058
Energy: 0.9213941315742341
Energy: 0.9482551003095351
Energy: 0.939198737414003
Energy: 0.9210083641592154
Energy: 0.933117488514232
Energy: 0.9024652311395536
Energy: 0.9572767627143796
Energy: 0.9034022174300658
Energy: 0.9019399013237883
Energy: 0.9083352748664766
Energy: 0.9022798622121986
Energy: 0.9027169601633516
Energy: 0.9089746143967529
Energy: 0.9027734097317321
Energy: 0.9021504709606665
Energy: 0.9117753518553038
Energy: 0.9023263132239694
Energy: 0.8417104692594113
Energy: 0.9221421628694509
Energy: 0.9027503437955647
Energy: 0.8797669468562619
Energy: 0.9885505845305039
Energy: 0.8788492144146943
Energy: 0.8423200918086455
Energy: 0.985698794722686
Energy: 0.9826676505861576
Energy: 0.872361212398166
Energy: 0.982553441621194
Energy: 0.9759843576477074
Energy: 0.9933852826712884
Energy: 1.0161127707997029
Energy: 0.9327561508092614
Energy: 0.9935232448235075
Energy: 0.8943284744509875
Energy: 0.9083276047343173
Energy: 1.0893223996267813
Energy: 0.9306521046340233
Energy: 0.930142555603439
Energy: 1.0901963947368314
Energy: 0.9339724390578907
Energy: 0.9302879223568902
Energy: 1.0882752836677247
Energy: 0.980234472905377
Energy: 1.0600613918265425
Energy: 0.9613825879613395
Energy: 0.9827039093620311
Energy: 1.061348558074797
Energy: 0.8426373011277494
Energy: 1.0997198259368732
Energy: 1.0250110118591909
Energy: 0.8431217896524733
Energy: 1.0950959844585502
Energy: 0.8575516756181715
Energy: 0.9586348710345356
Energy: 1.0694359825919222
Energy: 1.069897757814035
Energy: 0.9657049472669255
Energy: 1.07129913239672
Energy: 1.0709114426938444
Energy: 1.0893607431021064
Energy: 1.0441745399556035
Energy: 1.041657090570457
Energy: 1.0902903572940192
Energy: 1.0093054409568398
Energy: 1.0486176429499388
Energy: 0.991871484165353
Energy: 0.9128613611542153
Energy: 0.9617776553677283
Energy: 0.9920042029476204
Energy: 0.9846385486082179
Energy: 1.0479200718216377
Energy: 0.9805883774418518
Energy: 1.0691735840392242
Energy: 1.0683778857460045
Energy: 0.9799532502976328
Energy: 1.0696751122522625
Energy: 1.067673006612043
Energy: 0.8622050300262698
Energy: 1.0317500077413517
Energy: 1.0970504043481402
Energy: 0.8976317468246026
Energy: 1.0314963100413272
Energy: 0.8808290343833691
Energy: 0.9808864904446867
Energy: 0.9480302102094502
Energy: 0.9620103231420833
Energy: 0.9801642183466583
Energy: 1.0351148822354732
Energy: 0.9910044064520559
Energy: 0.9828737373043501
Energy: 0.9548012129365385
Energy: 0.9561238915930864
Energy: 0.9841132870258723
Energy: 0.9524562113450341
Energy: 0.9077753405851678
Energy: 1.0334691256874007
Energy: 0.9540638603420664
Energy: 0.9367431660971296
Energy: 1.0403092135359633
Energy: 0.9544909960388807
Energy: 0.9386907123515587
Energy: 0.8995356426557763
Energy: 0.8993322681229148
Energy: 0.8988629223609923
Energy: 1.0429783317687962
Energy: 0.9004934301047224
Energy: 0.8985433742081744
Energy: 0.8986592463064342
Energy: 0.9006440882927442
Energy: 0.9218417199170758
Energy: 0.9089384720090988
Energy: 0.8979964691417558
Energy: 0.9628983654230495
Energy: 0.8992718166739401
Energy: 0.957653482307729
Energy: 0.9018591049338575
Energy: 0.9014477441895155
Energy: 0.9067841015857178
Energy: 0.8996940860611882
Energy: 0.9003804588770024
Energy: 0.9508936865625929
Energy: 0.9017060779293722
Energy: 0.9018814489897921
Energy: 0.9526254304168076
Energy: 0.8989299597193091
Energy: 0.8432909639100519
Energy: 0.9514198730182786
Energy: 0.9008902124142131
Energy: 0.8797649575755276
Energy: 0.9529539949039805
Energy: 0.8788734450020312
Energy: 0.8429109231638952
Energy: 0.8933090166750688
Energy: 0.8894612226500984
Energy: 0.9299290850066667
Energy: 0.8857574742016037
Energy: 0.824835846535067
Energy: 0.9824597941291743
Energy: 0.9229707698509526
Energy: 0.8886968582070063
Energy: 0.9864655594454034
Energy: 0.8933245609401913
Energy: 0.9551273944462837
Energy: 1.1194523726900687
Energy: 0.9308318297527749
Energy: 0.9309845751807021
Energy: 0.9443908282777236
Energy: 0.8785669173865108
Energy: 0.9319356251647938
Energy: 1.1213930373526877
Energy: 0.8888470882620881
Energy: 0.8589613154502026
Energy: 0.9861319389284843
Energy: 0.9268614394184251
Energy: 0.9727060764965011
Energy: 0.8900667457527554
Energy: 0.9725141230011793
Energy: 0.9213165164499545
Energy: 0.8494068643827062
Energy: 0.97296532647591
Energy: 0.9257775802526365

minimum gb energy = 0.824835846535067 eV
minimum distance =  2.26553352246122 Angstroms
sigma value = 41


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

Energy: 1.2969992604472238
Energy: 1.0036199108194268
Energy: 0.9736484497680393
Energy: 0.9714133388224211
Energy: 1.0684354262101974
Energy: 0.9689388543176919
Energy: 1.1544440983636846
Energy: 1.0643093360352696
Energy: 0.998686751066381
Energy: 1.0218501905618986
Energy: 1.0874059884108962
Energy: 0.9793437747299178
Energy: 1.1525660569604297
Energy: 0.9716196460996038
Energy: 0.9677275988037546
Energy: 0.9999805645537487
Energy: 0.9748105178267049
Energy: 0.9675933928350958
Energy: 1.0970411166507439
Energy: 0.9712861619924935
Energy: 0.9678201977627788
Energy: 1.0013649775918452
Energy: 0.9741913830789646
Energy: 0.975685798588837
Energy: 0.9994585194493739
Energy: 0.9793559030483306
Energy: 0.9778220541583326
Energy: 1.0241588926049936
Energy: 1.0956826961073531
Energy: 0.9769307885759523
Energy: 1.0307866486916761
Energy: 0.9800610785597836
Energy: 0.97722710592802
Energy: 0.973891016942347
Energy: 1.0235161088501685
Energy: 0.9766479917219028
Energy: 0.9986704919233924
Energy: 0.9983566666619568
Energy: 0.9808471636962189
Energy: 0.9991317990518221
Energy: 1.0947172934493963
Energy: 0.9805119543739859
Energy: 1.0027437734114888
Energy: 0.9795732371226288
Energy: 0.9756795560704766
Energy: 1.0048406452559628
Energy: 0.9828815718547995
Energy: 0.9789731300486313
Energy: 1.0791242184971583
Energy: 0.9773926424144395
Energy: 0.9752440181877117
Energy: 0.9514065277376963
Energy: 0.9982068465782914
Energy: 0.9753735012575226
Energy: 1.039289030589856
Energy: 0.985077055305583
Energy: 0.9792048815886892
Energy: 0.9826060761173485
Energy: 0.9999383786904674
Energy: 0.9759202851196546
Energy: 1.0985666490534824
Energy: 0.9974386958924988
Energy: 0.9954774357048832
Energy: 1.0839468431298982
Energy: 0.9515115342146678
Energy: 1.0601039763558153
Energy: 1.1245206200780054
Energy: 0.9501067264837199
Energy: 0.9501258207948423
Energy: 1.1803923219852406
Energy: 0.9498112390235413
Energy: 0.9528004968008822
Energy: 1.1638106270950606
Energy: 0.9965168270766867
Energy: 0.9959947810845848
Energy: 1.020652721728987
Energy: 1.080706995001635
Energy: 1.0601045939861184
Energy: 0.9450540510768205
Energy: 1.0024381585878515
Energy: 0.9517223487779773
Energy: 0.9514150944140214
Energy: 1.0024614980560387
Energy: 0.9509142403627922

minimum gb energy = 0.9450540510768205 eV
minimum distance =  2.29454656436694 Angstroms
sigma value = 11


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

Energy: 1.6331636168767745
Energy: 1.280773817813778
Energy: 1.1883639716502237
Energy: 1.1906965802062284
Energy: 1.1795502445287467
Energy: 1.1715590253175296
Energy: 1.3081639495814312
Energy: 1.1362137327594708
Energy: 1.1310302086289759
Energy: 1.157804190575409
Energy: 1.1266156693172724
Energy: 1.1313527123644243
Energy: 1.3063861066421671
Energy: 1.1289170565518423
Energy: 1.1188778985091883
Energy: 1.1268274967673093
Energy: 1.1225594498379492
Energy: 1.1228289675784848
Energy: 1.1533251422339108
Energy: 1.1223441318509213
Energy: 1.1237172818630778
Energy: 1.1298326331889188
Energy: 1.123558810391691
Energy: 1.1225880303521154
Energy: 1.1590896577957648
Energy: 1.1380586930934082
Energy: 1.132384106917407
Energy: 1.140737880988198
Energy: 1.1266840675014043
Energy: 1.131689228068134
Energy: 1.1506471379798455
Energy: 1.1405598111045314
Energy: 1.1411608845048102
Energy: 1.1360334673100627
Energy: 1.144650401457263
Energy: 1.1396170558110896
Energy: 1.1434795318169397
Energy: 1.14002160349074
Energy: 1.1385406560641813
Energy: 1.1435008348338354
Energy: 1.1280606614674824
Energy: 1.1452986388954036
Energy: 1.1421413553096726
Energy: 1.1328488250514777
Energy: 1.1333059857237175
Energy: 1.1262319744292948
Energy: 1.1588501357907859
Energy: 1.1331960480506111
Energy: 1.1153368986350225
Energy: 1.1283907831898043
Energy: 1.1225172610056053
Energy: 1.1175209811997406
Energy: 1.129235904392209
Energy: 1.1291523441944757
Energy: 1.1150805708663183
Energy: 1.1281706314431756
Energy: 1.1223583503195913
Energy: 1.1176548512105793
Energy: 1.1293520583077028
Energy: 1.128937698434242
Energy: 1.1429842404289667
Energy: 1.1352573546825686
Energy: 1.1325177417542729
Energy: 1.1263527444577937
Energy: 1.1515513212307709
Energy: 1.1322084488424156
Energy: 1.126419914374677
Energy: 1.1209177422365413
Energy: 1.1316262400373727
Energy: 1.126745425248565
Energy: 1.1175555531842163
Energy: 1.1245294407063775
Energy: 1.1258158166434293
Energy: 1.12334784047129
Energy: 1.122519910266897
Energy: 1.1292150370650902
Energy: 1.1229565485590884
Energy: 1.1219351624569316
Energy: 1.1340018759336399
Energy: 1.1271268158374115
Energy: 1.1265030568798988
Energy: 1.1253218825368505
Energy: 1.1265785988638586
Energy: 1.1268706504802484
Energy: 1.1264600568096768
Energy: 1.1233067847514568
Energy: 1.1215440993072228
Energy: 1.1393667123250075
Energy: 1.1270160976461687
Energy: 1.1217446153196298
Energy: 1.1179990088146305
Energy: 1.1240445755653634
Energy: 1.1220573849663646
Energy: 1.1194922549777424
Energy: 1.1282879828093555
Energy: 1.1238171272584692
Energy: 1.1175625684483783
Energy: 1.1237619855284717
Energy: 1.1226196996346414
Energy: 1.1234004838202463
Energy: 1.1255172047156488
Energy: 1.1230825974670302
Energy: 1.3169610469863504
Energy: 1.1738377546730843
Energy: 1.174086856330779
Energy: 1.1448200368855592
Energy: 1.1816018280625953
Energy: 1.1398573010324564
Energy: 1.1309818356527286
Energy: 1.125416974344514
Energy: 1.1228802179838866
Energy: 1.136248247651781
Energy: 1.1237981138060844
Energy: 1.1234621731767997
Energy: 1.147307773873671
Energy: 1.1175678398935418
Energy: 1.1259122309320082
Energy: 1.1277860559502326
Energy: 1.1168780182654428
Energy: 1.112477403133142
Energy: 1.212889093247353
Energy: 1.128390129298097
Energy: 1.113647324907401
Energy: 1.125223566060467
Energy: 1.1302808777184574
Energy: 1.1224889592946894
Energy: 1.1711414831947415
Energy: 1.1283642803268565
Energy: 1.1223494889838577
Energy: 1.1520745619029844
Energy: 1.1255042565254967
Energy: 1.1219240505595864
Energy: 1.1414502235408148
Energy: 1.1304235265928138
Energy: 1.1194660904977487
Energy: 1.119524708144532
Energy: 1.1283037951515933
Energy: 1.127975552499285
Energy: 1.2069067214249258
Energy: 1.1275628173608385
Energy: 1.1238913525837604
Energy: 1.1238177029590266
Energy: 1.1366339880312242
Energy: 1.122691178643697
Energy: 1.209299027916624
Energy: 1.1400230937416955
Energy: 1.1248961538017208
Energy: 1.210856539982981
Energy: 1.1275293990869084
Energy: 1.1262881172052008
Energy: 1.2001161344902953
Energy: 1.1511861912879766
Energy: 1.1235414208712926
Energy: 1.1427592215174942
Energy: 1.142747092035738
Energy: 1.1227198217677183
Energy: 1.1994718181621138
Energy: 1.118187898891999
Energy: 1.1253744503960463
Energy: 1.1299251080608699
Energy: 1.1199388270187998
Energy: 1.121614193882399
Energy: 1.1857153955872048
Energy: 1.1259543748520788
Energy: 1.12319028372896
Energy: 1.129867277091134
Energy: 1.1384206705952042
Energy: 1.121823719150913
Energy: 1.2141057323936597
Energy: 1.112665039165965
Energy: 1.1139723292783295
Energy: 1.123805443623858
Energy: 1.1258393136286005
Energy: 1.114829120221231
Energy: 1.3074355424653865
Energy: 1.1339874850486975
Energy: 1.1226939106624592
Energy: 1.1301593484554142
Energy: 1.133734480536907
Energy: 1.1221378351193891
Energy: 1.167263959960997
Energy: 1.1316673266858706
Energy: 1.1102856188824033
Energy: 1.1146393464135789
Energy: 1.128266380984015
Energy: 1.1252038478775457

minimum gb energy = 1.1102856188824033 eV
minimum distance =  2.29724690732067 Angstroms
sigma value = 57


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

Energy: 1.4782674186639602
Energy: 1.6120682153285515
Energy: 1.1378588666248126
Energy: 1.137403177497943
Energy: 1.6078495962219161
Energy: 1.1381352440171235
Energy: 1.2095479549807782
Energy: 1.1516030143471738
Energy: 1.1450333040139515
Energy: 1.1509702139122022
Energy: 1.1451602304324724
Energy: 1.1455949675617951
Energy: 1.2212713757031235
Energy: 1.1338236262458432
Energy: 1.1338834998025014
Energy: 1.1415485996336179
Energy: 1.1404655341175318
Energy: 1.1477850153604678
Energy: 1.139217513517455
Energy: 1.1471508664007375
Energy: 1.1442883060415086
Energy: 1.1435328032011804
Energy: 1.1379369289279229
Energy: 1.1441285019343743
Energy: 1.1378400117020668
Energy: 1.1450594304063233
Energy: 1.14587677902349
Energy: 1.1461894271627695
Energy: 1.1438017176239037
Energy: 1.1442922831924534
Energy: 1.1435691233373908
Energy: 1.1747912221254648
Energy: 1.1451312141963275
Energy: 1.14736468941172
Energy: 1.1616789069739752
Energy: 1.1461972797120403
Energy: 1.2036263740590842
Energy: 1.1404282968965556
Energy: 1.14286133034723
Energy: 1.20384419102678
Energy: 1.1343749123891975
Energy: 1.1708922886639532
Energy: 1.2425180228114017
Energy: 1.1481510568968603
Energy: 1.1463462542347385
Energy: 1.1456842491616241
Energy: 1.1479929324102303
Energy: 1.1452179849342303
Energy: 1.1813027759344796
Energy: 1.1470862897635021
Energy: 1.1342823940333362
Energy: 1.1322393269244508
Energy: 1.1429792161050774
Energy: 1.133631950586276
Energy: 1.1854424689431478
Energy: 1.1504763918940095
Energy: 1.134083105921778
Energy: 1.1316763870823037
Energy: 1.144800876315161
Energy: 1.133424930276871
Energy: 1.2395275188955142
Energy: 1.1482947230571383
Energy: 1.1487139396117423
Energy: 1.1462784410267972
Energy: 1.1480368364439621
Energy: 1.1466218492253102
Energy: 1.1398889857064467
Energy: 1.1478566874970233
Energy: 1.1483424334513765
Energy: 1.1431554686754395
Energy: 1.1458866005330746
Energy: 1.146099276569938
Energy: 1.1391943068799006
Energy: 1.1449613060981858
Energy: 1.1448128227569119
Energy: 1.1453661934676183
Energy: 1.1448500257489724
Energy: 1.1441763837742094
Energy: 1.1417883216561358
Energy: 1.1417772057510585
Energy: 1.1461647714848957
Energy: 1.147465533673165
Energy: 1.2163598218883176
Energy: 1.1452264401619594
Energy: 1.1371957258068572
Energy: 1.1360534341381334
Energy: 1.1448226198554508
Energy: 1.1462234765611865
Energy: 1.1383229876424925
Energy: 1.1446223244105411
Energy: 1.222907550361963
Energy: 1.13601636176452
Energy: 1.1331564715630809
Energy: 1.1406109033075604
Energy: 1.1385827420163528
Energy: 1.1445371959274053
Energy: 1.1238042294242363
Energy: 1.1453807083436962
Energy: 1.1449734967826495
Energy: 1.1482888809589176
Energy: 1.1448470663428116
Energy: 1.1448186191887293

minimum gb energy = 1.1238042294242363 eV
minimum distance =  2.31323689236348 Angstroms
sigma value = 9


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

Energy: 1.8171555982805403
Energy: 1.2926624584649091
Energy: 1.2026441280442384
Energy: 1.2059812986213998
Energy: 1.2912971283942005
Energy: 1.2036478962454473
Energy: 1.242229808558383
Energy: 1.2076634514333433
Energy: 1.20711005206425
Energy: 1.2162469254430512
Energy: 1.2051262519576678
Energy: 1.2067510517531814
Energy: 1.2382420609641216
Energy: 1.2057572618103476
Energy: 1.2057345364268022
Energy: 1.1926239271551882
Energy: 1.2125272435158656
Energy: 1.2057034491623217
Energy: 1.2098551752039135
Energy: 1.2092808469740444
Energy: 1.2064539734684976
Energy: 1.2116622719449026
Energy: 1.2093153618293109
Energy: 1.2057652036891997
Energy: 1.2167433297715906
Energy: 1.1991082300232039
Energy: 1.199676701876505
Energy: 1.1921177823328213
Energy: 1.1988765329776483
Energy: 1.198903703802536
Energy: 1.1987408407103763
Energy: 1.1985547382094495
Energy: 1.196344347181098
Energy: 1.2036786044068162
Energy: 1.2029457882400036
Energy: 1.196102422736357
Energy: 1.2060491335034047
Energy: 1.1888085367344314
Energy: 1.1894167072638158
Energy: 1.1857564049277556
Energy: 1.1913708356583455
Energy: 1.1902070244485787
Energy: 1.2579883843609878
Energy: 1.2067250956814752
Energy: 1.197395093058606
Energy: 1.1930135868682363
Energy: 1.2077802433721476
Energy: 1.195971539966793
Energy: 1.2711344481469895
Energy: 1.1924247135695503
Energy: 1.1921595487543606
Energy: 1.2078246650355708
Energy: 1.1941014220410036
Energy: 1.2130403806606729
Energy: 1.2724004561926336
Energy: 1.1923536825636418
Energy: 1.1926989479187777
Energy: 1.2082896987721374
Energy: 1.1931336445054512
Energy: 1.1935420421987961
Energy: 1.2591815431707722
Energy: 1.1965139055234675
Energy: 1.194688578381781
Energy: 1.1919779453318724
Energy: 1.2013315228298005
Energy: 1.1932093492995195
Energy: 1.2637727025796084
Energy: 1.2113767352334426
Energy: 1.2085422037739268
Energy: 1.2020956788965826
Energy: 1.21517541465066
Energy: 1.2071491739206313
Energy: 1.3817660083843446
Energy: 1.2066101208323352
Energy: 1.2058971364988595
Energy: 1.2005431896579837
Energy: 1.2110990704798008
Energy: 1.1940008733392768
Energy: 1.2811855029783703
Energy: 1.2078149737075945
Energy: 1.2057014076454258
Energy: 1.2073947114718786
Energy: 1.211591975324864
Energy: 1.2057169178718203
Energy: 1.2670349699429184
Energy: 1.1944213125757703
Energy: 1.1927064328372472
Energy: 1.1930780255174656
Energy: 1.1988050146563594
Energy: 1.2078277024047277
Energy: 1.2547873573989885
Energy: 1.2041908867097642
Energy: 1.1905528568149488
Energy: 1.1948165340373713
Energy: 1.2049424159770132
Energy: 1.188099723086163
Energy: 1.2526117727938293
Energy: 1.2097098173216951
Energy: 1.20674953544064
Energy: 1.213512215635438
Energy: 1.2142399959610695
Energy: 1.2058167226555987
Energy: 1.309090447811267
Energy: 1.1999204526113052
Energy: 1.2105838498096877
Energy: 1.2173061342764473
Energy: 1.201796882715194
Energy: 1.1922080465326341
Energy: 1.238152915471683
Energy: 1.2105527660838975
Energy: 1.2069268070202497
Energy: 1.2118155026999298
Energy: 1.206104752622463
Energy: 1.2054402633502979
Energy: 1.2394988494504982
Energy: 1.2099925235879054
Energy: 1.20622262753257
Energy: 1.2095117988610997
Energy: 1.2113608979915633
Energy: 1.2045663845854657
Energy: 1.2626690398482783
Energy: 1.1989368161064462
Energy: 1.2064544750027764
Energy: 1.209045894556637
Energy: 1.1942986021276432
Energy: 1.2072266873721225

minimum gb energy = 1.1857564049277556 eV
minimum distance =  2.25275258386821 Angstroms
sigma value = 27


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

Energy: 1.2291878123177231
Energy: 1.624597567274515
Energy: 1.127322892980795
Energy: 1.1074904615544894
Energy: 1.1751337462236355
Energy: 1.1769164630247633
Energy: 1.2988642910523471
Energy: 1.1788472049271919
Energy: 1.1777183560473348
Energy: 1.1849247790243056
Energy: 1.1842168780266928
Energy: 1.1725847407043821
Energy: 1.2976239088162953
Energy: 1.171940009848507
Energy: 1.1735527880526926
Energy: 1.1773014397701527
Energy: 1.1515864360075982
Energy: 1.1827548144662736
Energy: 1.3101480614379346
Energy: 1.166092102884678
Energy: 1.207344172785364
Energy: 1.20800984967059
Energy: 1.1682410244529706
Energy: 1.1695100888408705
Energy: 1.173862827614595
Energy: 1.1791914268631483
Energy: 1.176076800226777
Energy: 1.1755932591243594
Energy: 1.1832264218501227
Energy: 1.174910812864363
Energy: 1.2786646931282275
Energy: 1.1717775733553295
Energy: 1.2222145007338705
Energy: 1.1988998441987402
Energy: 1.1740250949442996
Energy: 1.1883293804679425
Energy: 1.3037572383972797
Energy: 1.1190523989982837
Energy: 1.1203750179762029
Energy: 1.177372793833269
Energy: 1.1122962818338478
Energy: 1.1248097195200253
Energy: 1.2951648780192129
Energy: 1.1370719783361278
Energy: 1.1955748189470667
Energy: 1.1736443416112015
Energy: 1.1406192408842148
Energy: 1.237334847372558
Energy: 1.3040045874124957
Energy: 1.2058696213321731
Energy: 1.2088994281083674
Energy: 1.1984146982799262
Energy: 1.206889180863754
Energy: 1.2069314389933747
Energy: 1.3074835260974498
Energy: 1.2200456108024131
Energy: 1.2185178896853157
Energy: 1.2004109489687744
Energy: 1.221732659383759
Energy: 1.2063060288598062
Energy: 1.2973985312882188
Energy: 1.2234977866156227
Energy: 1.2255802221109247
Energy: 1.2298347761038122
Energy: 1.1740391496076799
Energy: 1.2297695392133858
Energy: 1.2914439144944876
Energy: 1.215164266931842
Energy: 1.213696538663177
Energy: 1.2135625517886928
Energy: 1.20599151332611
Energy: 1.215567901715252
Energy: 1.1157695945550037
Energy: 1.220055333122558
Energy: 1.1256981702184385
Energy: 1.1180451232901327
Energy: 1.211113093854136
Energy: 1.1232842801918888
Energy: 1.1066653214779885
Energy: 1.212980466529956
Energy: 1.212412912030622
Energy: 1.1210050874607054
Energy: 1.2100352052118306
Energy: 1.1301719121958773
Energy: 1.296951238354785
Energy: 1.2100837129238533
Energy: 1.2123899135142175
Energy: 1.2120868982907087
Energy: 1.207843810477355
Energy: 1.2158287637643448
Energy: 1.2800529932015563
Energy: 1.209638796732153
Energy: 1.2116458544865734
Energy: 1.2271276696207394
Energy: 1.205375797034709
Energy: 1.2162257377749424
Energy: 1.1469122326144359
Energy: 1.229077656296187
Energy: 1.229049276873839
Energy: 1.1729273691840987
Energy: 1.2293867805507617
Energy: 1.2108867852596474
Energy: 1.2785773238311364
Energy: 1.2137678917347616
Energy: 1.2085349070927465
Energy: 1.1998541714959126
Energy: 1.2202350881974715
Energy: 1.2039873133485892
Energy: 1.2903358688654767
Energy: 1.129555443467126
Energy: 1.1263247882174365
Energy: 1.201798333994969
Energy: 1.1207662967262864
Energy: 1.126281882504055
Energy: 1.3291486538074246
Energy: 1.1299404740550256
Energy: 1.126598237211822
Energy: 1.1795186823514638
Energy: 1.1207062420033955
Energy: 1.1265527589907702
Energy: 1.3280639423802751
Energy: 1.2089812026251365
Energy: 1.2120832764550635
Energy: 1.2059801714665677
Energy: 1.2045675699355343
Energy: 1.2079007760033715
Energy: 1.1502704639020234
Energy: 1.186158475655404
Energy: 1.1840638239439056
Energy: 1.1615653428656618
Energy: 1.1697615761332212
Energy: 1.180963726727526
Energy: 1.3274873922686694
Energy: 1.173309772847775
Energy: 1.1829783576846542
Energy: 1.1854143356555202
Energy: 1.174152680734791
Energy: 1.1724425000414367
Energy: 1.32693286253337
Energy: 1.1636343951516654
Energy: 1.1628207053681312
Energy: 1.1674930695198384
Energy: 1.1603487924876135
Energy: 1.1676683174158742
Energy: 1.227293388589973
Energy: 1.1808165096654477
Energy: 1.1776669809579212
Energy: 1.1213764338376022
Energy: 1.1792318817960628
Energy: 1.1699486598231212

minimum gb energy = 1.1066653214779885 eV
minimum distance =  2.24990200998903 Angstroms
sigma value = 19


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

Energy: 1.2150137537122994
Energy: 1.1590510770185938
Energy: 1.1899030380129367
Energy: 1.151444778914601
Energy: 1.1574108749854166
Energy: 1.1888307347632212
Energy: 1.3187923565799293
Energy: 1.164122265045315
Energy: 1.157184964171241
Energy: 1.1445276314867099
Energy: 1.1414866953805451
Energy: 1.1537791369187087
Energy: 1.217502607470213
Energy: 1.145092613818827
Energy: 1.1490016405939836
Energy: 1.1526398980198618
Energy: 1.14155133830639
Energy: 1.152441042743489
Energy: 1.2099797215729813
Energy: 1.1543567525502512
Energy: 1.1603568050072783
Energy: 1.1597014280545566
Energy: 1.151574294219003
Energy: 1.1602706053149012
Energy: 1.1503878104080014
Energy: 1.1475945066925715
Energy: 1.1463247064214643
Energy: 1.1555301336456294
Energy: 1.1526172919748983
Energy: 1.1510134982874227
Energy: 1.146993881225711
Energy: 1.152689006377859
Energy: 1.1583735689796932
Energy: 1.1484543062885118
Energy: 1.1511215110585435
Energy: 1.1587987724125304
Energy: 1.1795007241412063
Energy: 1.135792324440498
Energy: 1.137240273440692
Energy: 1.1733835650043722
Energy: 1.134619923057481
Energy: 1.1417167472742311
Energy: 1.14772730416821
Energy: 1.1401993837509263
Energy: 1.1508907866812454
Energy: 1.1432360737651395
Energy: 1.1402090298306868
Energy: 1.145000986308534
Energy: 1.1324093811343607
Energy: 1.1479703652633737
Energy: 1.152388938927477
Energy: 1.14317018904035
Energy: 1.1619964641045122
Energy: 1.1501236435338993
Energy: 1.1328477061685058
Energy: 1.1499961427640795
Energy: 1.14695650450062
Energy: 1.1426480953313345
Energy: 1.1449593664631448
Energy: 1.1463330116576003
Energy: 1.212758608467848
Energy: 1.126412540232736
Energy: 1.131095898716387
Energy: 1.1503568864028624
Energy: 1.1205455864792928
Energy: 1.1365266595733883
Energy: 1.216826210484326
Energy: 1.1277056268763064
Energy: 1.1247798129644762
Energy: 1.1183994499478078
Energy: 1.1267753635049664
Energy: 1.1460256821583183
Energy: 1.1833219313118741
Energy: 1.143098828536662
Energy: 1.1435232801477226
Energy: 1.1323914738595415
Energy: 1.1349446781209147
Energy: 1.1244469175063734
Energy: 1.2198178663408668
Energy: 1.1286544596895085
Energy: 1.1504231200905575
Energy: 1.1202413377330926
Energy: 1.1254747233125997
Energy: 1.1470258626426835
Energy: 1.2152039805841388
Energy: 1.127493754671713
Energy: 1.1317161102689124
Energy: 1.1447447528491166
Energy: 1.1219233467931928
Energy: 1.1376561300289376
Energy: 1.2232109022979252
Energy: 1.1250745354221814
Energy: 1.1264686440123386
Energy: 1.1296916400086021
Energy: 1.118839008809501
Energy: 1.1297446564464397
Energy: 1.1518005838106715
Energy: 1.182473836249812
Energy: 1.1643461208527681
Energy: 1.1106071856747484
Energy: 1.1529968331023117
Energy: 1.160086333687658
Energy: 1.1863450162063978
Energy: 1.1243537877474676
Energy: 1.1318025663061637
Energy: 1.1108687930382715
Energy: 1.1248189621479188
Energy: 1.128360793581558
Energy: 1.2079273543010076
Energy: 1.125255263279951
Energy: 1.1294587882161429
Energy: 1.1387371163237971
Energy: 1.1199314883087779
Energy: 1.1280057043005265
Energy: 1.1433188834896928
Energy: 1.1257505471673346
Energy: 1.1299686593362934
Energy: 1.1318333436372796
Energy: 1.1173111118302779
Energy: 1.1282818601754194
Energy: 1.1088234430292598
Energy: 1.1309163748951878
Energy: 1.1305686729125135
Energy: 1.1155311199298215
Energy: 1.1304830555483834
Energy: 1.1263581453066855
Energy: 1.1098186619801393
Energy: 1.120538493510363
Energy: 1.1206224507962343
Energy: 1.11981013880698
Energy: 1.1280486331461945
Energy: 1.139483390499731
Energy: 1.110746030621115
Energy: 1.1164695957892816
Energy: 1.119840420264897
Energy: 1.121996617703083
Energy: 1.1134125438874702
Energy: 1.1208871354981653
Energy: 1.1570876197066478
Energy: 1.1161969827044604
Energy: 1.126021567503904
Energy: 1.1139535514183316
Energy: 1.1090734779664728
Energy: 1.1299747007567575
Energy: 1.1881870076148604
Energy: 1.121495319473216
Energy: 1.12002700954567
Energy: 1.1231782368115453
Energy: 1.1229421214088815
Energy: 1.1382428990058835
Energy: 1.150334268901378
Energy: 1.162369961785353
Energy: 1.1581937419869999
Energy: 1.134431205273384
Energy: 1.1678898954450225
Energy: 1.1352535369250139
Energy: 1.2101994462227976
Energy: 1.1433242515239976
Energy: 1.143473528350844
Energy: 1.1473951871668435
Energy: 1.1440701724658002
Energy: 1.1466530929750176
Energy: 1.2170050994967776
Energy: 1.1452610127028535
Energy: 1.1514716669966278
Energy: 1.1517900966956167
Energy: 1.14311506453463
Energy: 1.157120988761813
Energy: 1.1971762592809814
Energy: 1.1463680455609604
Energy: 1.1396085823851334
Energy: 1.1037001480841613
Energy: 1.13636791336354
Energy: 1.1248415433061614

minimum gb energy = 1.1037001480841613 eV
minimum distance =  2.28482588904895 Angstroms
sigma value = 101


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

Energy: 1.675875766401844
Energy: 1.0766802729508176
Energy: 1.1035856427531505
Energy: 1.0425441202940111
Energy: 1.077771289107308
Energy: 1.0424265648051247
Energy: 1.2795945270862614
Energy: 1.1018811775512607
Energy: 1.1018485157435203
Energy: 1.0808922353044867
Energy: 1.086207077284957
Energy: 1.0998122358819091
Energy: 1.1878653987611207
Energy: 1.0852800986699973
Energy: 1.0893478954552978
Energy: 1.1243010795269672
Energy: 1.0766811343134617
Energy: 1.0936369712610927
Energy: 1.138798761473076
Energy: 1.089109309526191
Energy: 1.101378753240571
Energy: 1.0921600396588784
Energy: 1.084735686166918
Energy: 1.1016328583196462
Energy: 1.0911947253033516
Energy: 1.1219192950021726
Energy: 1.1164507230363672
Energy: 1.0944490861535279
Energy: 1.122622644157724
Energy: 1.104628339373455
Energy: 1.098243210394033
Energy: 1.0906965160578104
Energy: 1.103213798555923
Energy: 1.076391481436745
Energy: 1.08869047347677
Energy: 1.0991714186044004
Energy: 1.1355990784475556
Energy: 1.0725514446802844
Energy: 1.0832064682713058
Energy: 1.1077215354206131
Energy: 1.0694073711173315
Energy: 1.0697721425643707
Energy: 1.071141767673304
Energy: 1.0821607143637548
Energy: 1.0877370764104757
Energy: 1.0875230645302518
Energy: 1.0717868840151712
Energy: 1.0896318650143741
Energy: 1.0738094046388202
Energy: 1.1099569930412045
Energy: 1.0953812792272737
Energy: 1.076481570553756
Energy: 1.1169015547261463
Energy: 1.090568933751077
Energy: 1.0757679123806365
Energy: 1.1093269147822873
Energy: 1.1061298188357713
Energy: 1.0810837960036268
Energy: 1.1028880053827026
Energy: 1.1048779518606955
Energy: 1.0706933697688852
Energy: 1.0439115128247256
Energy: 1.0451638017608962
Energy: 1.0885641920581393
Energy: 1.0482579250463402
Energy: 1.0442642734082181
Energy: 1.161897657912571
Energy: 1.0790725889037613
Energy: 1.102484881989282
Energy: 1.1060661978534854
Energy: 1.0766190274392786
Energy: 1.1051000579155774
Energy: 1.1032383130509444
Energy: 1.1161859615767498
Energy: 1.1103177202669257
Energy: 1.0691110572421811
Energy: 1.1177428547237773
Energy: 1.0957093210748456
Energy: 1.1143114637461158
Energy: 1.0997738036114757
Energy: 1.0832150417943742
Energy: 1.0730830826856994
Energy: 1.0816111654783769
Energy: 1.101528027284412
Energy: 1.1908052073490012
Energy: 1.0827384464863428
Energy: 1.0889393843738142
Energy: 1.118724285426965
Energy: 1.0783110955427941
Energy: 1.0836459697370275
Energy: 1.1662950949927002
Energy: 1.083504096660797
Energy: 1.0978993198398155
Energy: 1.092608699748566
Energy: 1.0795768249070423
Energy: 1.1016251862681734
Energy: 1.1075391699151693
Energy: 1.144201234237741
Energy: 1.104621124638383
Energy: 1.042559772671376
Energy: 1.0886630132865927
Energy: 1.0409264071401616
Energy: 1.2199479160019582
Energy: 1.0859102878098452
Energy: 1.0827737717939696
Energy: 1.0988642847636814
Energy: 1.1010995924823466
Energy: 1.1019960649786464
Energy: 1.1874321177105642
Energy: 1.0832713907432765
Energy: 1.0879188864341103
Energy: 1.1165337895371776
Energy: 1.080011568534829
Energy: 1.0843424337575345
Energy: 1.1626085316886388
Energy: 1.083718983794407
Energy: 1.0855189379245236
Energy: 1.0903045376689349
Energy: 1.0813635078975192
Energy: 1.0987441774881448
Energy: 1.094437852782801
Energy: 1.115009981371669
Energy: 1.1094681378772966
Energy: 1.0986522139857482
Energy: 1.1166657334818122
Energy: 1.1004134433115909
Energy: 1.0987163213811184
Energy: 1.0994755983454725
Energy: 1.10219746634524
Energy: 1.0790474569213433
Energy: 1.1007336953247386
Energy: 1.1003518455975514
Energy: 1.0996523039961537
Energy: 1.078346357761997
Energy: 1.0818988829116867
Energy: 1.106436663529709
Energy: 1.073181847409864
Energy: 1.0759200558865845
Energy: 1.0754685466227025
Energy: 1.0716964011208836
Energy: 1.07307449047515
Energy: 1.1084460315860856
Energy: 1.0697018863302272
Energy: 1.09582362195895
Energy: 1.0812393644782627
Energy: 1.0856189111019714
Energy: 1.084464317949879
Energy: 1.078653004575766
Energy: 1.0826641078471564
Energy: 1.0864579836242878
Energy: 1.0743501043990042
Energy: 1.0818074255628543
Energy: 1.1046379818703385
Energy: 1.0762754007866864
Energy: 1.1003289063450663
Energy: 1.099584044159284
Energy: 1.1140345220378325
Energy: 1.059280092746997
Energy: 1.0607157993391638
Energy: 1.0810466494812763
Energy: 1.047601245296991
Energy: 1.0437465837136481
Energy: 1.1875931339048473
Energy: 1.0474450180168555
Energy: 1.044109569598479
Energy: 1.0806696757243885
Energy: 1.0513775334863273
Energy: 1.1024134288409302
Energy: 1.1014446301717251
Energy: 1.096838945269575
Energy: 1.077058992592163
Energy: 1.071016606988243
Energy: 1.080887805481962
Energy: 1.0782604614813347
Energy: 1.1072881392370042
Energy: 1.099054378364565
Energy: 1.0831653547572317
Energy: 1.0706891604099122
Energy: 1.079952803945016
Energy: 1.0912653350309862
Energy: 1.18711518651108
Energy: 1.077775893284632
Energy: 1.0834473679868362
Energy: 1.0987308903734152
Energy: 1.076026684345031
Energy: 1.101047088922933
Energy: 1.1866972079948856
Energy: 1.081163675095512
Energy: 1.087874835502853
Energy: 1.0895796209171418
Energy: 1.0785006586724608
Energy: 1.0990411531874018
Energy: 1.1102254566240073
Energy: 1.0815300905122307
Energy: 1.0821048049638546
Energy: 1.044296905194229
Energy: 1.0731821404148258
Energy: 1.103194529595234

minimum gb energy = 1.0409264071401616 eV
minimum distance =  2.25861377110356 Angstroms
sigma value = 33


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

Energy: 0.020480072613363473
Energy: 8.570497026347079
Energy: 0.021233524759613515
Energy: 0.023025292857773275
Energy: 8.894297005227457
Energy: 0.02114976290642274
Energy: 0.6242733356552677
Energy: 0.16787987766555634
Energy: 0.16548677686339724
Energy: 0.1646761372471452
Energy: 0.16660127818685252
Energy: 0.16521985690665392
Energy: 1.6181493951451018
Energy: 1.1515742352981069
Energy: 1.1496740499654163
Energy: 1.1460680675824695
Energy: 1.1501275402337696
Energy: 1.150086041801318
Energy: 0.021111194468373017
Energy: 0.16787987766555634
Energy: 0.16548677686339724
Energy: 0.16467613725078342
Energy: 0.16660127818550122
Energy: 0.16521985690530258

minimum gb energy = 0.020480072613363473 eV
minimum distance =  2.45672684614494 Angstroms
sigma value = 1