Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9756741225719447
cohesive_energy=5.506478783925711
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6597748839922998e-19, 2.61270148059648e-19, 3.40779765698532e-19, 4.0940259310938596e-19, 4.69652445430956e-19, 5.2307542311505195e-19, 5.70728962740114e-19, 6.13375700383926e-19, 6.515988283412639e-19, 6.858565691294519e-19, 7.165174233743099e-19, 7.43884202459664e-19, 7.682132546469539e-19, 7.897256803116719e-19, 8.08612138473264e-19, 8.250360511483979e-19, 8.39143216410768e-19, 8.51058604037826e-19, 8.608959685705859e-19, 8.687562471369899e-19, 8.74730763805176e-19, 8.78907638290014e-19, 8.813621728933019e-19, 8.821664655635699e-19, 8.81294881474674e-19, 8.7846543753903e-19, 8.7330642877755e-19, 8.6536764355608e-19, 8.541155570554979e-19, 8.38898083385766e-19, 8.1893336034949185e-19, 7.932616841429099e-19, 7.607038527633959e-19, 7.1980989635718e-19, 6.6877255968111e-19, 6.053311715046119e-19, 5.2662584653599595e-19, 4.2903085905251995e-19, 3.07864648929636e-19, 1.570562484657912e-19, -2.74688377369398e-20, -2.50775891106948e-19, -5.2892657218242e-19, -8.803528016138818e-19, -1.3228435465686359e-18, -1.88842151143044e-18, -2.6299729447109998e-18, -3.60967191286932e-18, -4.9431955688802e-18, -6.876141568969499e-18, -9.752513258223358e-18, -1.426919338536642e-17, -2.1993238872581395e-17, -3.67263745458552e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.019866463165345436
Energy: 0.10701914601226219
Energy: 0.11008123785758588
Energy: 0.10911437911800051
Energy: 0.023715467012682845
Energy: 0.021365756521983883
Energy: 0.10761480651226635
Energy: 0.11086056164631534
Energy: 0.10847402420813139
Energy: 0.023014401387844406
Energy: 0.10700533052970415
Energy: 0.1098966609509785
Energy: 0.10796990025035799
Energy: 0.10962879465821658
Energy: 0.10962656673727143
Energy: 0.10722734614223564
Energy: 0.11101713356849481
Energy: 0.10687777096815311
Energy: 0.10974660318189752
Energy: 0.1088607224669521
Energy: 0.11030245241847565
Energy: 0.024084277690569426
Energy: 0.020333177079262525
Energy: 0.10742901032482216
Energy: 0.10874436516939187
Energy: 0.10964062425470057
Energy: 0.023221642055925012
Energy: 0.020345380728522072
Energy: 0.10710627640570335
Energy: 0.11007189848692263
Energy: 0.1089364804611328
Energy: 0.02162320796836999
Energy: 0.021586836414163438
Energy: 0.11002070494010326
Energy: 0.10745965108547
Energy: 0.10968933994103756
Energy: 0.022008368157086802
Energy: 0.020600274138634675
Energy: 0.10939247487033756
Energy: 0.10685337525248598
Energy: 0.10823519820343896
Energy: 0.10840305385429733
Energy: 0.11080355321543259
Energy: 0.021845168232592877
Energy: 0.021884587255324044
Energy: 0.10758133601134329
Energy: 0.10890674893771443
Energy: 0.11010975625950435
Energy: 0.022873270289950537
Energy: 0.10819875029857418
Energy: 0.11117070803777335
Energy: 0.10742802648823936
Energy: 0.10849258887555684
Energy: 0.02107729364413007
Energy: 0.024679667414755867
Energy: 0.11085228435516947
Energy: 0.10671360485017786
Energy: 0.10866156587976528
Energy: 0.021738060337688457
Energy: 0.020534687840193085
Energy: 0.025611469502937415
Energy: 0.11063604808962908
Energy: 0.1084282233141677
Energy: 0.10789572644397753
Energy: 0.11151487276411681
Energy: 0.02605185085588848
Energy: 0.11121957247007874
Energy: 0.10817582154909669
Energy: 0.10872766377040288
Energy: 0.11100358895377972

minimum gb energy = 0.019866463165345436 eV
minimum distance =  2.77268948020414 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.0090070947955652
Energy: 1.0439139249512748
Energy: 1.0038871130381066
Energy: 1.0124983002551708
Energy: 1.0125182650746105
Energy: 1.0065167532063442
Energy: 1.0275160503950433
Energy: 1.0279560916602737
Energy: 1.031321836245403
Energy: 0.9650510628414668
Energy: 0.9222183194652507
Energy: 1.0314155001677663
Energy: 0.9019571112720199
Energy: 0.8412775048634238
Energy: 0.8395781613652439
Energy: 1.0640850910350361
Energy: 1.0462325397122676
Energy: 0.9025992656298731
Energy: 0.9398724986742337
Energy: 0.9951052677608162
Energy: 1.0782370213395156
Energy: 0.9215622802693636
Energy: 0.8400342401097087
Energy: 0.8398409722291066
Energy: 0.8391150849496848
Energy: 0.9641719078947879
Energy: 0.9088142197275215
Energy: 0.88562644058545
Energy: 0.8575657959126298
Energy: 0.9141899656638628
Energy: 0.9464207346699572
Energy: 1.0292417151121938
Energy: 0.8476680774739709
Energy: 0.8393245552428429
Energy: 0.839282290290802
Energy: 1.0233860765099443
Energy: 0.9809647943906494
Energy: 0.9468897880364303
Energy: 0.8387703540330609
Energy: 1.0936888912937919
Energy: 1.0250682859454816
Energy: 1.0417163300888934
Energy: 1.064599206570413
Energy: 0.9301362307628134
Energy: 1.064410514398824
Energy: 1.0219031081558372
Energy: 1.1245416269782507
Energy: 1.0650778552309532
Energy: 0.9184938230325866
Energy: 1.0778748709531507
Energy: 1.0347885586081331
Energy: 1.0373241923154246
Energy: 0.9472724285307558
Energy: 1.0433231225087063
Energy: 1.093839513127754
Energy: 1.0327359663256999
Energy: 1.1104769477412038
Energy: 0.9464481830450961
Energy: 1.1062833318779228
Energy: 1.0730673527021244
Energy: 1.0490148609073073
Energy: 1.026865439156732
Energy: 0.8792260008721403
Energy: 1.0422243366475827
Energy: 1.070384464880767
Energy: 1.0138306927760385
Energy: 0.9952698157910526
Energy: 0.8784774330674184
Energy: 1.060660778335048
Energy: 1.0737956756002074
Energy: 1.046504854775733
Energy: 1.073859849908852
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Energy: 1.065802257656189
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Energy: 1.0455068592008927
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Energy: 0.9495580362320442
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Energy: 0.996626485415357
Energy: 1.0235059936531958
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Energy: 1.0626256378595988
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Energy: 0.8745526197375785
Energy: 0.881357535522148
Energy: 1.055706536807357
Energy: 1.0459792451272145
Energy: 0.9943498778666896
Energy: 1.0518705597497175
Energy: 1.0472596569579518
Energy: 1.0669773120382362
Energy: 1.0450913403639073
Energy: 1.0512421644596956
Energy: 1.0490120280026543
Energy: 1.0492406590461931
Energy: 1.0574215762191186
Energy: 1.0446496819612068
Energy: 1.0500460910724514
Energy: 1.0279118213867973
Energy: 1.0107893241630577
Energy: 1.0667825038291225
Energy: 0.944640794741476
Energy: 0.8817785061808336
Energy: 0.8945701913446725
Energy: 1.0524292179440307
Energy: 1.0744212535696003
Energy: 0.9696111642663567
Energy: 0.8803139776796705
Energy: 1.0258190445415662
Energy: 0.9663034421878043
Energy: 0.9088907692833452
Energy: 0.9198807323291824
Energy: 0.874081454055867
Energy: 0.9144153415187982
Energy: 0.9083184119322888
Energy: 0.9149777758251169
Energy: 0.9848314672725541
Energy: 1.012424696752669
Energy: 0.9869274109841819
Energy: 1.1158238618672216
Energy: 1.0222609962461917
Energy: 0.9106025705044403
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Energy: 0.9463178598843738
Energy: 0.9518489568199051
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Energy: 1.0653739743127206
Energy: 0.8781643479019605
Energy: 0.997101250247483
Energy: 1.0704435941766468
Energy: 1.0367706525217975
Energy: 0.9457850280978883
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Energy: 1.0771035588298477
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Energy: 1.0563183717963598
Energy: 1.102680017175567
Energy: 1.0714836398840952
Energy: 1.0650038551187042
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Energy: 0.8786234079717306
Energy: 1.0468181167957964
Energy: 1.070160600016601
Energy: 1.0565015267784952
Energy: 1.050301483858414
Energy: 0.8768309407853322
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Energy: 1.0759950100864957
Energy: 1.049872941774462
Energy: 1.0562228218637082
Energy: 0.9690250872610728
Energy: 1.0438409437216092
Energy: 1.068088390478654
Energy: 1.0506709509502508
Energy: 0.9790014487203561
Energy: 0.9635629283232434
Energy: 1.046355080284378
Energy: 1.071847794876529
Energy: 0.9562857249974862
Energy: 0.9185498495781175
Energy: 1.054157995270706
Energy: 1.0043403379708018
Energy: 1.0647915640384233
Energy: 0.9399530559553615
Energy: 0.9164309988939652
Energy: 0.9351254551626716
Energy: 1.0455172462843598
Energy: 0.8405114389393178
Energy: 0.9551592055564936
Energy: 0.8754883476693105
Energy: 0.9862123646037633
Energy: 0.9055729631905768
Energy: 0.9224012408081206
Energy: 0.879013907946075
Energy: 0.9555723841745218
Energy: 0.9416874825995385
Energy: 0.9046029854500809
Energy: 0.9573675732874879
Energy: 0.8738425626096121
Energy: 0.9502707420591888
Energy: 0.9574703660472604
Energy: 0.9045160157662898
Energy: 0.9341117838450819
Energy: 0.9514622081537787
Energy: 0.8791521282382979
Energy: 0.9173547061934344
Energy: 0.9047034884138512
Energy: 0.9150416412038819
Energy: 0.9602218483729031
Energy: 0.8999820346048355
Energy: 1.0046136466434967
Energy: 1.0411977087477806
Energy: 0.9457353717471766
Energy: 0.8412157556325902
Energy: 0.9561745518882113
Energy: 1.0738822977811238
Energy: 1.0493324492800815
Energy: 1.0482832815656422
Energy: 1.0577277811907568
Energy: 1.024766227650935
Energy: 1.0766452548201706
Energy: 1.0756621623322844
Energy: 1.0197646248297252
Energy: 0.8399396913809871
Energy: 0.9696098813586267
Energy: 1.0775232329097462
Energy: 1.0751881840070774
Energy: 0.9347090083553723
Energy: 0.921259337192783
Energy: 1.0276595216503037
Energy: 1.0066311125019662
Energy: 1.0059073872034818
Energy: 0.8456132662058482
Energy: 0.842898387951304
Energy: 1.039025187988967
Energy: 1.0070088896245406
Energy: 1.0669053666687582
Energy: 1.0281117109454585
Energy: 1.0039198733663284
Energy: 1.0489843009660456
Energy: 1.0052090670547653
Energy: 1.0036486301286842
Energy: 1.0068435690156337
Energy: 1.0058627270987812
Energy: 1.0287830182084703
Energy: 1.0152981020828238
Energy: 1.0252168927908212

minimum gb energy = 0.8387703540330609 eV
minimum distance =  2.49509196043794 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.9661145476248242
Energy: 0.9749094720922257
Energy: 0.979622767690803
Energy: 1.0861048189545923
Energy: 0.9795604899484929
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Energy: 1.0025797259846931
Energy: 0.9817080492375556
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Energy: 1.0429178677450452
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Energy: 0.9747370014304115
Energy: 0.986536960130471
Energy: 1.009989916377858
Energy: 1.1234708652617933
Energy: 1.0786485274155635
Energy: 1.0665877999841633
Energy: 0.9893978218179535
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Energy: 1.0202733817834344
Energy: 0.9917287181245682
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Energy: 1.0498054816077682
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Energy: 1.0536272154197566
Energy: 1.0559175418746056
Energy: 1.0148088551440055
Energy: 1.0256392283176903
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Energy: 1.0477869275370513
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Energy: 1.0542870135278568
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Energy: 1.0177012327223007
Energy: 1.0179363312286962
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Energy: 0.9905921993841169
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Energy: 1.0016302979008838
Energy: 1.0035558528174258
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Energy: 1.0319194929358637
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Energy: 1.0038065915523267
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Energy: 1.0001876887791108
Energy: 1.0005969481632224
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Energy: 0.9931280099911627
Energy: 0.9966645277783058
Energy: 0.9803286151479619
Energy: 1.0537068624417674
Energy: 1.0139185201667296
Energy: 1.0052122408026947
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Energy: 1.0440092522369906
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Energy: 1.0769956028438463
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Energy: 1.0376028873168852
Energy: 1.047500847060187
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minimum gb energy = 0.9627771938188252 eV
minimum distance =  2.49223138373637 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.041735515516273
Energy: 1.0973088756428548
Energy: 1.0647714607700582
Energy: 1.0539194939784369
Energy: 1.054271998728388
Energy: 1.0417441216027616
Energy: 1.0599812554841441
Energy: 1.0359622861582436
Energy: 1.0503162447175625
Energy: 1.0482386047320267
Energy: 1.032487034552179
Energy: 1.0589891636213649
Energy: 1.0362685419274824
Energy: 1.0403804571085862
Energy: 1.045206154190044
Energy: 1.0342979839487834
Energy: 1.0555217244980644
Energy: 1.0459676284077903
Energy: 1.0523742359327235
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Energy: 1.0603536343673334
Energy: 1.0504694763265507
Energy: 1.041468558284843
Energy: 1.0402090353555418
Energy: 1.0423550633294467
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Energy: 1.0118096549903455
Energy: 1.0437884954974828
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Energy: 1.04354992575637
Energy: 1.0471430935863795
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Energy: 1.0500637768529315
Energy: 1.0454731454432147
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Energy: 1.0547149877073005
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Energy: 1.0528576548810245
Energy: 1.0550722478379897
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Energy: 1.0460951880228855
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Energy: 1.0468257822050169
Energy: 1.0106189847022553
Energy: 1.0077227837992955
Energy: 1.045729133105071
Energy: 1.0482177207487597
Energy: 1.0603607247935865
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Energy: 1.0734383145839972
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Energy: 1.0602665837994034
Energy: 1.028756359536321
Energy: 1.0278764838118444
Energy: 1.019300702379169
Energy: 1.062614090425955
Energy: 1.0534920801080419
Energy: 1.0558866216547118
Energy: 1.0685381909833156
Energy: 1.02774968460509
Energy: 1.0627020151339566
Energy: 1.0536251038856421
Energy: 1.0558756729611753
Energy: 1.0680467397171853
Energy: 1.054855974735026
Energy: 1.0269469688064896
Energy: 1.0257466362956427
Energy: 1.05928887613093
Energy: 1.071791154023145
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Energy: 1.0268555574644458
Energy: 1.0246759547766124
Energy: 1.058756796068732
Energy: 1.0469599341721747
Energy: 1.0562781207656524
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Energy: 1.0482700884620924
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Energy: 1.0232081232942636
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Energy: 1.0492317641019413
Energy: 1.045637720115002
Energy: 1.0247104615087306
Energy: 1.0242962327596974
Energy: 1.0288532404950363
Energy: 0.9939987881397384
Energy: 1.0126803169081662
Energy: 1.024832233840907
Energy: 1.0245496875965234
Energy: 1.0291164515825308
Energy: 0.9952478750937578
Energy: 1.0527612727866704
Energy: 1.055567512076219
Energy: 1.0555715062060267
Energy: 1.0549829635428152
Energy: 1.0128430249360798
Energy: 1.060247838647066
Energy: 1.0484166608616416
Energy: 1.0557021986296296
Energy: 1.0676512638716837
Energy: 1.0239161065378142
Energy: 1.0630608569771436
Energy: 1.0557621999695863
Energy: 1.0383465864143888
Energy: 1.0123025342158511
Energy: 1.071103803536901
Energy: 1.0591771546844477
Energy: 1.0616967753821678
Energy: 1.0228675882558405
Energy: 1.0126632091114458
Energy: 1.0715799510824033
Energy: 1.0598942352913847
Energy: 1.058323032985523
Energy: 1.0234436894147807
Energy: 1.0117572618952908
Energy: 1.0685945087072104
Energy: 1.0020408986004656
Energy: 1.0494495468738705
Energy: 1.0230193887172274
Energy: 1.011526149233087
Energy: 1.0697546521773262
Energy: 1.0443171920942829
Energy: 1.0328061922283447
Energy: 1.0193860656652936
Energy: 1.0211093295161253
Energy: 1.0211852780434987
Energy: 1.0605504440957763
Energy: 1.0321974490902346
Energy: 1.0197935443470356
Energy: 1.0205021874104978
Energy: 1.0211494454731336
Energy: 1.0597274161118286
Energy: 1.0672432287770621
Energy: 1.0203423639181934
Energy: 1.0215344187302533
Energy: 1.0259010787170986
Energy: 1.0371464006237092
Energy: 1.0649361266150275
Energy: 1.020914222242393
Energy: 1.020892511279849
Energy: 1.0257672810651417
Energy: 1.0399256986119778
Energy: 1.081384106437771
Energy: 1.0370481942855898
Energy: 1.046238074053198
Energy: 1.05180146396761
Energy: 1.0553535992383736
Energy: 1.0712972084059966
Energy: 1.0222410629640684
Energy: 1.0486120607066607
Energy: 1.0520876864599922
Energy: 1.0551948096908335
Energy: 1.0416715470934557
Energy: 1.0673277997099702
Energy: 1.07031972710193
Energy: 1.0142017144049331
Energy: 1.0862944819292166
Energy: 1.0150184034261966
Energy: 1.0678698392142383
Energy: 1.0700873324024358
Energy: 1.0126346922284954
Energy: 1.0638443133129434
Energy: 1.0349824240101855
Energy: 1.0555518881456079
Energy: 1.03469669930529
Energy: 1.036151269757212
Energy: 1.077505769064417
Energy: 1.0057589641633364
Energy: 1.0550171401266049
Energy: 1.0359348527394985
Energy: 1.0460337620206888
Energy: 1.0237807981082268
Energy: 1.0576035882900399
Energy: 1.0473493486681158
Energy: 1.048032627270417
Energy: 1.0450491170227283
Energy: 1.0751230617644731
Energy: 1.0576686720401614
Energy: 1.0498790397532352
Energy: 1.0466653777350616
Energy: 1.0444410216332094
Energy: 1.074408378241873
Energy: 1.0631300022082177
Energy: 1.0447949452517609
Energy: 1.061690202351379
Energy: 1.0468084565107143
Energy: 1.0566944668961709
Energy: 1.043409728800509
Energy: 1.0419695997408336
Energy: 1.031169497779001
Energy: 1.0480300720085216
Energy: 1.0568176244181962
Energy: 1.0446962500854304
Energy: 1.0457499688834857
Energy: 1.0469406383237128
Energy: 1.0325078817975948
Energy: 1.0518254124853974
Energy: 1.0339350303576929
Energy: 1.042072578839877
Energy: 1.0432103924418847
Energy: 1.0611967895246965
Energy: 1.0147509318151848
Energy: 1.0143684973287157
Energy: 1.0719805205548758
Energy: 1.04441951310981
Energy: 1.035580813523372
Energy: 1.0065483234420687
Energy: 1.0325018793340834
Energy: 1.0475133929754734
Energy: 1.0417580690168555
Energy: 1.0428599761626496
Energy: 1.052256369841504
Energy: 1.0569465136343432
Energy: 1.0169902865075293
Energy: 1.0417113820734296
Energy: 1.0509231593650608
Energy: 1.0240106714854382
Energy: 1.0316614706630638
Energy: 1.0129110533324077
Energy: 1.0519951990640284
Energy: 1.062846579827708
Energy: 1.0501920072140265
Energy: 1.0724147131664679
Energy: 1.055755773713756
Energy: 1.0511628917185936
Energy: 1.059129987417169
Energy: 1.058724927554798
Energy: 1.058716034375332
Energy: 1.0557872210770587
Energy: 1.062986232519362
Energy: 1.0593218105507367
Energy: 1.0702825686852895
Energy: 1.0391379744201388
Energy: 1.0411853962034887
Energy: 1.0125223682347289
Energy: 1.003533004723682
Energy: 1.0521796063568327
Energy: 1.0009352514221384
Energy: 1.0171627709788649
Energy: 1.004283527939613
Energy: 1.00217682790076
Energy: 1.0519494909357059
Energy: 1.0438072511724434
Energy: 1.0019601662763207
Energy: 1.0032226304994327
Energy: 1.0022989054879792
Energy: 1.0014424547852356
Energy: 1.0024599739414506
Energy: 1.0019828547943186
Energy: 1.0025534095303466
Energy: 1.00216907164762
Energy: 1.0550888174540405

minimum gb energy = 0.9939987881397384 eV
minimum distance =  2.52087306692147 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.3125242075571046
Energy: 0.9803076164924547
Energy: 0.9730549379584242
Energy: 1.0005973835230249
Energy: 0.9652752317799989
Energy: 0.9971553448194072
Energy: 0.9802612373196656
Energy: 0.9739752695896899
Energy: 1.0026106396764831
Energy: 0.9654932461208229
Energy: 0.9905436894111718
Energy: 0.989975829196889
Energy: 0.9746371406346834
Energy: 0.9849301452283089
Energy: 0.9905544784856279
Energy: 0.9903247974800342
Energy: 0.9915235837121374
Energy: 0.9947646048875523
Energy: 0.9861390826069837
Energy: 1.0099564261375504
Energy: 0.9886980767857444
Energy: 1.0089520284720608
Energy: 0.9909250540159562
Energy: 1.009375331299307
Energy: 0.9954614577742709
Energy: 0.9897517951120102
Energy: 0.9890149679647772
Energy: 0.9884164016557265
Energy: 1.0071900532721423
Energy: 0.9964150865351796
Energy: 0.9840426470066433
Energy: 0.9852102774724404
Energy: 0.9898227164672533
Energy: 1.0078736441618805
Energy: 0.966012504278475
Energy: 1.0100646845869818
Energy: 0.9909286550232455
Energy: 0.9890148756800978
Energy: 1.0085625814446362
Energy: 0.9958737477658834
Energy: 0.9935821260962305
Energy: 1.0057266466345682
Energy: 0.986257920647491
Energy: 0.9860831888247639
Energy: 0.9898727423359399
Energy: 0.9899194583879657
Energy: 0.974669300410541
Energy: 0.9857968544476857
Energy: 0.9881801872839573
Energy: 0.9907509025580802
Energy: 1.0275201755626884
Energy: 0.9882263740356662
Energy: 0.9858432988410932
Energy: 0.9669831233973628
Energy: 0.9918294955371222
Energy: 1.0284873359847684
Energy: 0.9851996543383696
Energy: 0.9852945844913857
Energy: 0.9655842892604767
Energy: 1.007402077887068
Energy: 0.9904785088998663
Energy: 0.9925295575841562
Energy: 0.9901193229715483
Energy: 0.977954206131338
Energy: 1.0029396631331609
Energy: 1.012176050713685
Energy: 0.9925492128061824
Energy: 0.9902596382097453
Energy: 0.9784346541741281
Energy: 1.0055198476126725
Energy: 1.0142503845110051
Energy: 0.9853845783754716
Energy: 0.9919762125561089
Energy: 0.992012349597206
Energy: 0.99566406208573
Energy: 0.9692344997155568
Energy: 0.9856194488726708
Energy: 0.9921555063637237
Energy: 0.9883625700911435
Energy: 0.9655778655269531
Energy: 0.9667996450478987
Energy: 0.9939921621605917
Energy: 0.9801087172886453
Energy: 0.992845617593318
Energy: 1.0087715009462446
Energy: 0.9661077158203298
Energy: 0.9796672427530837
Energy: 0.9805072632402029
Energy: 0.9891540891238605
Energy: 0.9945578767833312
Energy: 1.0104520340808947
Energy: 0.9877561414384705
Energy: 0.990837620480376
Energy: 0.992509307682717
Energy: 0.98990982044436
Energy: 1.009723786046033
Energy: 0.9897200697024282
Energy: 0.9905918321922826
Energy: 0.9927943091914672
Energy: 0.9899011789846934
Energy: 0.995589497476844
Energy: 1.0295981947092725
Energy: 0.9888725210075104
Energy: 0.992082511535745
Energy: 0.997527272711146
Energy: 0.9885965375039104
Energy: 1.0297312815479562
Energy: 0.9882336772079259
Energy: 0.9914296713712368
Energy: 0.9968808422335687
Energy: 0.9893512023259343
Energy: 0.9874056250370034
Energy: 0.9887883376429648
Energy: 0.9870800986084646
Energy: 0.9668568587473175
Energy: 0.9890623322508295
Energy: 1.011737244427039
Energy: 0.9882332493197298
Energy: 0.9882333886116373
Energy: 1.0023025931798415
Energy: 1.0282899456427832
Energy: 0.989972877462157
Energy: 0.9908127749300456
Energy: 0.9903886833016989
Energy: 0.9792402608566438
Energy: 0.9924128006335837
Energy: 0.9907800571100753
Energy: 0.9892614690942749
Energy: 0.9907156297481788
Energy: 0.9802453362976765
Energy: 1.0087298424868525
Energy: 0.9908188462122577
Energy: 0.9917557591916896
Energy: 0.9730068688519804
Energy: 0.9849654078620786
Energy: 1.0082306664335838
Energy: 0.9900325010601434
Energy: 0.979847467597342
Energy: 0.9714627044281591
Energy: 0.985421213625595
Energy: 0.9665998398154687
Energy: 0.9971459914119682
Energy: 1.0013061653369164
Energy: 0.9864365524664452
Energy: 0.9908699141136222
Energy: 1.0058235971175178
Energy: 0.9863343529622425
Energy: 0.9932039692472887
Energy: 0.9854715935152333
Energy: 0.9905405650078105

minimum gb energy = 0.9652752317799989 eV
minimum distance =  2.53927411497114 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.2646638653901052
Energy: 0.8745026333045627
Energy: 0.877763947896453
Energy: 0.8724200925868888
Energy: 0.8575227771092492
Energy: 0.8788738662122095
Energy: 0.8767040573364465
Energy: 0.8782532333505285
Energy: 0.8791626419827139
Energy: 0.8957619888607861
Energy: 0.9097446562983985
Energy: 0.9138578147615527
Energy: 0.8734277116740753
Energy: 0.8718367217353432
Energy: 0.8807077320079311
Energy: 0.8973006159927374
Energy: 0.8717294979925038
Energy: 0.8824374269532962
Energy: 0.89476842462989
Energy: 0.9097581706548552
Energy: 0.8797892695516827
Energy: 0.9051298806778081
Energy: 0.8859572391906657
Energy: 0.8869454439261881
Energy: 0.8881109038631843
Energy: 0.8817726899875891
Energy: 0.9138946845853025
Energy: 0.9162581983459553
Energy: 0.8880534226470779
Energy: 0.8872846715623838
Energy: 0.9124837856755139
Energy: 0.8842189882149071
Energy: 0.9102269043306647
Energy: 0.8901403755531584
Energy: 0.9528691496840264
Energy: 0.8870472657994589
Energy: 0.8733800138674619
Energy: 0.8880519876535196
Energy: 0.8957073132048112
Energy: 0.8950011204586267
Energy: 0.9067006691648107
Energy: 0.8796328075217098
Energy: 0.9033037748741377
Energy: 0.9011898882352666
Energy: 0.8947647661715875
Energy: 0.8818293754940055
Energy: 0.8881828533894809
Energy: 0.9011070864195453
Energy: 0.9019432881190947
Energy: 0.9108515763801046
Energy: 0.9063238705920851
Energy: 0.8882433215894773
Energy: 0.9027953274517907
Energy: 0.8662050960796986
Energy: 0.9065111191218617
Energy: 0.9096264223194035
Energy: 0.8966270765375689
Energy: 0.9026439326247875
Energy: 0.8707208684421844
Energy: 0.9030004137390261
Energy: 0.9070535566663039
Energy: 0.9082971854284662
Energy: 0.9044347056179693
Energy: 0.9002633283871814
Energy: 0.9042502969466762
Energy: 0.9248451223902211
Energy: 0.8899924983771652
Energy: 0.9065800086707839
Energy: 0.9024858165594122
Energy: 0.9053547799099567
Energy: 0.8809282652053483
Energy: 0.8977894763944307
Energy: 0.8995527448302404
Energy: 0.890625933116138
Energy: 0.8717157135066865
Energy: 0.8812948711370091
Energy: 0.8983171834041854
Energy: 0.9014043675568841
Energy: 0.8870124007473996
Energy: 0.8996768613351813
Energy: 0.8808295786548228
Energy: 0.8856698047254916
Energy: 0.8996434524029144
Energy: 0.8981589063888988
Energy: 0.8976892616704155
Energy: 0.8798136645694054
Energy: 0.9072329464571102
Energy: 0.8997178011391068
Energy: 0.8996102405059491
Energy: 0.8966549885168387
Energy: 0.908331814217402
Energy: 0.8889747830558105
Energy: 0.8943500925005543
Energy: 0.8965292568097858
Energy: 0.926836568250674
Energy: 0.9114246486810318
Energy: 0.8856243351403169
Energy: 0.8844476142696124
Energy: 0.9067609430530528
Energy: 0.9099168102107834
Energy: 0.8914972489737115
Energy: 0.8864468943479004
Energy: 0.8913513175738682
Energy: 0.8916686784641077
Energy: 0.8798306356446605
Energy: 0.8892449573883308
Energy: 0.8852583778294304
Energy: 0.8869700018974643
Energy: 0.8946676529545432
Energy: 0.9138846768046179
Energy: 0.8988116807113061
Energy: 0.9022991910151513
Energy: 0.8794287048602176
Energy: 0.8829655195069239
Energy: 0.9063547430915453
Energy: 0.8973059156746671
Energy: 0.9034128186952479
Energy: 0.8799845735488565
Energy: 0.8832160328477014
Energy: 0.9048208581696017
Energy: 0.8935764543662192
Energy: 0.8941548706057324
Energy: 0.8934988954156075
Energy: 0.8804346638062762
Energy: 0.8936722926277346
Energy: 0.8928733760205438
Energy: 0.9033948038130086
Energy: 0.8974052858509538
Energy: 0.9115587897751801
Energy: 0.8942388165208143
Energy: 0.88736738387626
Energy: 0.8959034104642096
Energy: 0.8926205574215746
Energy: 0.8846973258493789
Energy: 0.8863223266079161
Energy: 0.8875956609111538
Energy: 0.8950921667151364
Energy: 0.912813722081519
Energy: 0.8840948114535577
Energy: 0.8850847098740371
Energy: 0.9039353912555704
Energy: 0.8919966753259043
Energy: 0.8891176905814663
Energy: 0.9525217318222768
Energy: 0.9059490865442645
Energy: 0.8927629141772996
Energy: 0.89422745931384
Energy: 0.8914673022854706
Energy: 0.906699261782561
Energy: 0.9065003767671109
Energy: 0.9126953726301337
Energy: 0.8981455399314556
Energy: 0.8915658546793731
Energy: 0.8876518731385572
Energy: 0.9041494488782991
Energy: 0.8903591920840862
Energy: 0.9112397831771493
Energy: 0.891767389645163
Energy: 0.8873137170873416
Energy: 0.9026642213562037
Energy: 0.9009149668813662
Energy: 0.8981947357406196
Energy: 0.8877545197156558
Energy: 0.8908155650328146
Energy: 0.898152871708282
Energy: 0.9011406358989069
Energy: 0.898133097677642
Energy: 0.8871201124735189
Energy: 0.893125208369119
Energy: 0.899271225432923
Energy: 0.8965235632956341
Energy: 0.9050790994856377
Energy: 0.9222886516518904
Energy: 0.9089051452912177
Energy: 0.8903021883793114
Energy: 0.8964992781700845
Energy: 0.9077309223229625
Energy: 0.9231795425102921
Energy: 0.9078683404339359
Energy: 0.8969183440439136
Energy: 0.9234676540700609
Energy: 0.9080692157093723
Energy: 0.9006972688225405
Energy: 0.9079769323851786
Energy: 0.8932626088788
Energy: 0.8963765131788677
Energy: 0.9091747814087018
Energy: 0.9026181208313192
Energy: 0.9084215798104274
Energy: 0.9041989743568005
Energy: 0.902162055419951
Energy: 0.895999303701648
Energy: 0.8706364937242379
Energy: 0.9131936668427278
Energy: 0.9094394263805692
Energy: 0.9015462925488307
Energy: 0.8956645907299905
Energy: 0.8902194344973962
Energy: 0.9190800219176403
Energy: 0.9044961841514092
Energy: 0.9052797990974513
Energy: 0.8951442850886595
Energy: 0.9016711305316679
Energy: 0.8765319899617149
Energy: 0.9016362064611586
Energy: 0.9038197279739361
Energy: 0.900287243200857
Energy: 0.9177342830393164
Energy: 0.87711045274077
Energy: 0.9001521950691341
Energy: 0.9021550157130707
Energy: 0.9103433449838542
Energy: 0.895459052244587
Energy: 0.9200609213294202
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Energy: 0.8982306828063251
Energy: 0.8939706981468267
Energy: 0.9005329989273984
Energy: 0.8942320274894751
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Energy: 0.8951342091794868
Energy: 0.8941540981600178
Energy: 0.8814658681109391
Energy: 0.8941112026426737
Energy: 0.8954697790939103
Energy: 0.8815636202310975
Energy: 0.8981082670023096
Energy: 0.8978755622236267
Energy: 0.8939885071422065
Energy: 0.8978961215436031
Energy: 0.8823521260593385
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Energy: 0.8790592996741677
Energy: 0.8867420325158039
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Energy: 0.8943944584324789
Energy: 0.8856662664383576
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Energy: 0.8863108049110633
Energy: 0.8921586309286479
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Energy: 0.8875802479246968
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Energy: 0.8917941209268969
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Energy: 0.8984903117807588
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Energy: 0.9151173324659381
Energy: 0.8994820081694265
Energy: 0.8964237651403961
Energy: 0.8670564194333826
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Energy: 0.8968151580099569
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Energy: 0.9066127389523053
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Energy: 0.9048130052463424
Energy: 1.079657600796271
Energy: 0.9036059560359506
Energy: 0.8964922226289296
Energy: 0.9125966327128746
Energy: 0.9004203569168437
Energy: 0.8874654164457924
Energy: 0.9047263869982685
Energy: 0.8788239928884738
Energy: 0.907744226149631
Energy: 0.8921659370782161
Energy: 0.9204367190470836
Energy: 0.902400043597822
Energy: 0.9132391364364887
Energy: 0.9063489521360287
Energy: 0.8963099104668341
Energy: 0.8934991819092385
Energy: 0.9008297241109537
Energy: 0.9108542566173353
Energy: 0.9022508943349132
Energy: 0.8967747315265545
Energy: 0.8917875756365814
Energy: 0.8991646796797784
Energy: 0.9046710710395297
Energy: 0.8830855440196835
Energy: 0.887576370545575
Energy: 0.8870857583912277
Energy: 0.8965591002810714
Energy: 0.903639696486414
Energy: 0.8976990533666572
Energy: 0.9000087272536794
Energy: 0.8995462088259384
Energy: 0.8958342442768502
Energy: 0.9011147013557891
Energy: 0.890791068337506
Energy: 0.8673066670562944
Energy: 0.8999238308104021
Energy: 0.8955967406137121
Energy: 0.9001963792069665
Energy: 0.8930054431576049
Energy: 0.8964176271537236
Energy: 0.9008991317564512
Energy: 0.9168215302000828
Energy: 0.867003508240404
Energy: 0.8645054423050939
Energy: 0.8878371367149029
Energy: 0.9021932258056925
Energy: 0.8936139134303507
Energy: 0.8852018136528753
Energy: 0.884418560207465
Energy: 0.8876341812960612
Energy: 0.8812279891704734
Energy: 0.899988030754776
Energy: 0.8702549063797554
Energy: 0.8686401725911781
Energy: 0.8806175294739096
Energy: 0.8819683234245004
Energy: 0.9140633641208509
Energy: 0.8853084163004272
Energy: 0.8934758742087519
Energy: 0.8819296398279101
Energy: 0.9033615945845224
Energy: 0.9048574236331965
Energy: 0.8921523406199933
Energy: 0.8728451468637466
Energy: 0.8656078708638074
Energy: 0.8894999795557679
Energy: 0.8936560757158297
Energy: 0.8841857841722638
Energy: 0.8735426812093664
Energy: 0.8930830403229969
Energy: 0.8867652136548065
Energy: 0.8705038416453439
Energy: 0.8836758572915673
Energy: 0.8960631905986155
Energy: 0.8794784505038189
Energy: 0.876869024428604
Energy: 0.8719447465288118
Energy: 0.8817985659609193
Energy: 0.8774644072573737
Energy: 0.888345621424537

minimum gb energy = 0.8575227771092492 eV
minimum distance =  2.56752124316349 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.6511572311698132
Energy: 0.6501016745416072
Energy: 0.8295562885287682
Energy: 0.655375826309
Energy: 0.39550341379757215
Energy: 0.4029224355610879
Energy: 0.5984160514336478
Energy: 0.6659603796696129
Energy: 0.8240825101586143
Energy: 0.6136338325510801
Energy: 0.6232984698058074
Energy: 0.669802073377214
Energy: 0.780411824018787
Energy: 0.7395467018578759
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Energy: 0.610527316034985
Energy: 0.5792237143002484
Energy: 0.7842987761136427
Energy: 0.6260260574109633
Energy: 0.6844579960448077
Energy: 0.6296151337583473
Energy: 0.6311452970771366
Energy: 0.823707946181292
Energy: 0.621603984707716
Energy: 0.4925051022958466
Energy: 0.6324958499485329
Energy: 0.6156338907186525
Energy: 0.639572388860812
Energy: 0.6178048753495524
Energy: 0.39620867004329285
Energy: 0.397500347480062
Energy: 0.6509560504932955
Energy: 0.8304511063024576
Energy: 0.6292701371611275
Energy: 0.49204854232551243
Energy: 0.5018437431652749
Energy: 0.6778195830445161
Energy: 0.6327218315626231
Energy: 0.6239962467159966
Energy: 0.3957938442182456
Energy: 0.5946244080372715
Energy: 0.6014259912225902
Energy: 0.6947374358807472
Energy: 0.7488206489163853
Energy: 0.6569416266002983
Energy: 0.629402023504728
Energy: 0.6231431969588724
Energy: 0.6374745616112089
Energy: 0.7403992655158913
Energy: 0.7031275170282388
Energy: 0.6483271359697331
Energy: 0.8264411719617354
Energy: 0.694390742509694
Energy: 0.44935697099970856
Energy: 0.44936475167190215
Energy: 0.6957311351158221
Energy: 0.8244590335309261
Energy: 0.6088019725527843
Energy: 0.4474837576398466
Energy: 0.4507579178969007
Energy: 0.6651304110194035
Energy: 0.7333626881207311
Energy: 0.6759091154092781
Energy: 0.4439200823796487
Energy: 0.44431677408474385
Energy: 0.7231794352135125
Energy: 0.6429352007173856
Energy: 0.7111719824649078
Energy: 0.44768201885628733
Energy: 0.7419299028257688
Energy: 0.826971305673187
Energy: 0.8145337866775191
Energy: 0.6877514338863817
Energy: 0.7109607011846155
Energy: 0.7104844271621163
Energy: 0.6337979256738054
Energy: 0.7560244737829496
Energy: 0.7659356234267457
Energy: 0.7391149654112477
Energy: 0.717167528308534
Energy: 0.7480267462082572
Energy: 0.8140654830713885
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Energy: 0.4919047282612141
Energy: 0.6439422123573528
Energy: 0.7094361464257914
Energy: 0.7300034953857873
Energy: 0.4579025880661546
Energy: 0.44389973657369236
Energy: 0.5901634840214911
Energy: 0.7741883101281167
Energy: 0.6716375272354353
Energy: 0.4851849156656154
Energy: 0.6437129261970858
Energy: 0.6086369498305003
Energy: 0.7913545525316338
Energy: 0.7669740668347411
Energy: 0.44595588736533276
Energy: 0.6873916666659788
Energy: 0.6095278515138279
Energy: 0.6239488376970787
Energy: 0.746256469827711
Energy: 0.4049348954127424
Energy: 0.8202855275472709
Energy: 0.7059689955816324
Energy: 0.7690410032502031
Energy: 0.43737878351776444
Energy: 0.446741754428425
Energy: 0.7734543813765637
Energy: 0.7482109747688037
Energy: 0.7426079733678724
Energy: 0.3953212040385202
Energy: 0.3967885383495069
Energy: 0.757231797389246
Energy: 0.8139285153535438
Energy: 0.7058541661714565
Energy: 0.4440588243225829
Energy: 0.4477173860737504
Energy: 0.7435355388605064
Energy: 0.8176199840202991
Energy: 0.8244398658732675
Energy: 0.7533451074877088
Energy: 0.7472363118426117
Energy: 0.7721277932977545
Energy: 0.8313475286852238
Energy: 0.8253929042884798
Energy: 0.7104697909592932
Energy: 0.6343144055860322
Energy: 0.8286499009504363
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Energy: 0.39577226200368404
Energy: 0.39854822300694287
Energy: 0.8393993288240391
Energy: 0.8381569732515368
Energy: 0.7204090057773301
Energy: 0.44433639034859784
Energy: 0.44806178745495046
Energy: 0.8363905834479052
Energy: 0.8349430076196878
Energy: 0.7870817257231316
Energy: 0.3971540586308546
Energy: 0.3994585932363228
Energy: 0.8169232417582951
Energy: 0.8228355016898083
Energy: 0.7834841087335849
Energy: 0.4554885687845163
Energy: 0.4502724867165175
Energy: 0.7929441850773219
Energy: 0.8392971486106106
Energy: 0.8313078748287529
Energy: 0.8245412562899179
Energy: 0.8387929242588061
Energy: 0.7678299985510606
Energy: 0.8220140258305855
Energy: 0.8318341059152697
Energy: 0.763857172077092
Energy: 0.7932852833131145
Energy: 0.7596099046126124
Energy: 0.8284539694408497
Energy: 0.834887586899135
Energy: 0.4936518626256497
Energy: 0.8322112690463654
Energy: 0.835378356520161
Energy: 0.8296167260698023
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Energy: 0.39499887841045855
Energy: 0.7554118332667481
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Energy: 0.8169562442082041
Energy: 0.7876814967228044
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Energy: 0.8429972945990205
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Energy: 0.8313615529516504
Energy: 0.8350212546220527
Energy: 0.8322535002221
Energy: 0.8432802280927292
Energy: 0.8664874199182997
Energy: 0.8712856010450458
Energy: 0.8276346428889616
Energy: 0.7661571823539239
Energy: 0.43973351056428395
Energy: 0.8633264271927129
Energy: 0.8322127917013022
Energy: 0.8282510778554953
Energy: 0.7921327968991774
Energy: 0.39685471228461777
Energy: 0.39538308063497013
Energy: 0.8447996975398109
Energy: 0.8324430607287243
Energy: 0.8014102964881007
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Energy: 0.443919635067298
Energy: 0.7998779099280248
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Energy: 0.39637716687685226
Energy: 0.40193596302673057
Energy: 0.7047959221039383
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Energy: 0.8164741063498208
Energy: 0.750066452845898
Energy: 0.8153865452117256
Energy: 0.7735743752256031
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Energy: 0.8635274722057089
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Energy: 0.7946091347589465
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Energy: 0.3960949831146071
Energy: 0.7296139335787708
Energy: 0.749138383970849
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Energy: 0.7327515667064893
Energy: 0.7943570861651496
Energy: 0.7590973014385577
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Energy: 0.5957721660953299
Energy: 0.7372434918016376
Energy: 0.774714998442075
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Energy: 0.44396987437644814
Energy: 0.7557793834439108
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Energy: 0.6824073367524276
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Energy: 0.7746245987792308
Energy: 0.714226498076574
Energy: 0.49651004327049814
Energy: 0.4972360099722644
Energy: 0.6698792827337022
Energy: 0.6591909811775829
Energy: 0.6376756757012355
Energy: 0.6830613755387616
Energy: 0.7093419597698729
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Energy: 0.6204076825403512
Energy: 0.6851025082782681
Energy: 0.6289600202152436
Energy: 0.7802503305762096
Energy: 0.7785555613253895
Energy: 0.6452183931919596
Energy: 0.4440391738182175
Energy: 0.44950696479462304
Energy: 0.679148627421407
Energy: 0.6861036061172342
Energy: 0.6111367006202251
Energy: 0.44421175492675924
Energy: 0.44375833274677906
Energy: 0.6835984763579954
Energy: 0.8357545461261628
Energy: 0.625806997686987
Energy: 0.6334757157845753
Energy: 0.4383182495760618
Energy: 0.6313626800510189
Energy: 0.747097125495883
Energy: 0.6172298222231111
Energy: 0.6826253108061313
Energy: 0.6622148352449376
Energy: 0.6812848742939694
Energy: 0.6030770091081695
Energy: 0.6191837898978626
Energy: 0.4062275760638668
Energy: 0.6964437633146784
Energy: 0.6665746335715207
Energy: 0.6043192604207283
Energy: 0.6262630733054217
Energy: 0.48605877295902095
Energy: 0.6939259929162374
Energy: 0.7195534807629995
Energy: 0.6063943047724842
Energy: 0.3957398312338475
Energy: 0.39946891921063554
Energy: 0.7158956673602699
Energy: 0.6673265318902788
Energy: 0.7718094243933485
Energy: 0.49265941926008167
Energy: 0.49263353750633176
Energy: 0.6879915046364321
Energy: 0.6312420720675571
Energy: 0.6082377363821195
Energy: 0.687970289494027
Energy: 0.6474805830554071
Energy: 0.6164503211378896
Energy: 0.6590303022519179
Energy: 0.6274107858809554
Energy: 0.5927440856129277
Energy: 0.6596973073369893
Energy: 0.7019511243698108
Energy: 0.8540403257646889
Energy: 0.6866041009341509
Energy: 0.6213036867960272
Energy: 0.6129523192829333
Energy: 0.5801344225264139
Energy: 0.6452007805526828
Energy: 0.6725975335250635
Energy: 0.3982013732331877
Energy: 0.591768159301273
Energy: 0.7245598899469937
Energy: 0.7636537227202647
Energy: 0.6128307178273112

minimum gb energy = 0.39499887841045855 eV
minimum distance =  2.57372045955434 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.8064666962902132
Energy: 0.7952339354620798
Energy: 0.8243729256820781
Energy: 0.816834684107575
Energy: 0.7703564151507826
Energy: 0.7677920502536832
Energy: 0.7964405510729298
Energy: 0.8240136222007954
Energy: 0.8173413182162619
Energy: 0.7746449676223082
Energy: 0.7818262104090535
Energy: 0.7984733222532181
Energy: 0.8143554044363122
Energy: 0.8304075900642922
Energy: 0.7973546974763466
Energy: 0.7736721172299643
Energy: 0.8005347936520752
Energy: 0.8299275203724568
Energy: 0.8213599078434957
Energy: 0.8016063306638064
Energy: 0.7731303827501463
Energy: 0.8210548381806834
Energy: 0.8245840939117265
Energy: 0.828144914224834
Energy: 0.7711069528138395
Energy: 0.7883035840752943
Energy: 0.8135315533361334
Energy: 0.826872827506549
Energy: 0.8293078777263415
Energy: 0.7708274666364826
Energy: 0.7697590899475564
Energy: 0.8196032408481415
Energy: 0.8138811658712986
Energy: 0.8002373142419614
Energy: 0.7871793043936182
Energy: 0.769597382967718
Energy: 0.8196224857259488
Energy: 0.8271578088246426
Energy: 0.8126777343115431
Energy: 0.7983462678616768
Energy: 0.8028746184953923
Energy: 0.8117834110382462
Energy: 0.8240467598561726
Energy: 0.781057866437077
Energy: 0.7710264639878515
Energy: 0.8048173968288369
Energy: 0.8152384137809221
Energy: 0.8243951261992082
Energy: 0.7821001473781218
Energy: 0.7812381319674799
Energy: 0.80112492754064
Energy: 0.8020750816871667
Energy: 0.7773031282100733
Energy: 0.7959138628483596
Energy: 0.7720866427112547
Energy: 0.8021056175090231
Energy: 0.8159164812047413
Energy: 0.7714329655811576
Energy: 0.7961592099052532
Energy: 0.782780385411494
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Energy: 0.8086382512676431
Energy: 0.7978656271642677
Energy: 0.7710375243992462
Energy: 0.8155512714558661
Energy: 0.7886741579375872
Energy: 0.8088343302062757
Energy: 0.7835813667583201
Energy: 0.7922274667854582
Energy: 0.8300587522210691
Energy: 0.7855275909710447
Energy: 0.8077842646132655
Energy: 0.7755934730155276
Energy: 0.7831541885682065
Energy: 0.7811470226555539
Energy: 0.7858525442700677
Energy: 0.8147528886691707
Energy: 0.7758812249340757
Energy: 0.7832689262923059
Energy: 0.7817434318520989
Energy: 0.7815318097882649
Energy: 0.8008551762806339
Energy: 0.7753106356548032
Energy: 0.7762268300641665
Energy: 0.8001747112675535
Energy: 0.7810567858463761
Energy: 0.7999994778352886
Energy: 0.7750328578019389
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Energy: 0.7830996304370508
Energy: 0.844254961795398
Energy: 0.7720366976052949
Energy: 0.8124262779200259
Energy: 0.7776746919228018
Energy: 0.7994996288783086
Energy: 0.7790833406983445
Energy: 0.7823378019504957
Energy: 0.7987847441684675
Energy: 0.7787545655185236
Energy: 0.781998775398625
Energy: 0.7815027114249048
Energy: 0.8067005420285538
Energy: 0.8035989015143141
Energy: 0.7758554819292149
Energy: 0.7755136514527456
Energy: 0.7809049086236483
Energy: 0.8093333614525345
Energy: 0.8008426309385986
Energy: 0.7785851514530061
Energy: 0.776084313017919
Energy: 0.7952346153744358
Energy: 0.7765838943766981
Energy: 0.7785061351354698
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Energy: 0.773066824605314
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Energy: 0.8112242302406416
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Energy: 0.7969106265345214
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Energy: 0.7808517968210454
Energy: 0.8040344624548483
Energy: 0.7970822814704405
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Energy: 0.7998709317793452
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Energy: 0.796496710860228
Energy: 0.8192029856177226
Energy: 0.7954136035487667
Energy: 0.7683035157507817

minimum gb energy = 0.7638443898105499 eV
minimum distance =  2.56075454161466 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.03794722253165
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Energy: 1.044189091305736
Energy: 1.0431310081782157
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Energy: 1.0340930762480995
Energy: 1.0232085208837267
Energy: 1.0059181111843585
Energy: 1.0034236617567416
Energy: 1.0173026507992815
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Energy: 1.0208447724229621
Energy: 1.0068269514413173
Energy: 0.9868528750386898
Energy: 1.0029446511603164
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Energy: 0.9880122126480595
Energy: 1.0034539357366934
Energy: 1.0378888152464023
Energy: 1.0384364618642863
Energy: 1.008924956901233

minimum gb energy = 0.9868528750386898 eV
minimum distance =  2.53521268826491 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.7628916089973603
Energy: 1.174898917039367
Energy: 1.1888067399898723
Energy: 1.1949577647739
Energy: 1.2146622974990264
Energy: 1.1715862612713275
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Energy: 1.1821344809395218
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Energy: 1.2110867084590444
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Energy: 1.1950071005676213
Energy: 1.1993399163506169
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Energy: 1.1740648720628346
Energy: 1.183542597542548
Energy: 1.214007993876682
Energy: 1.200050792715528
Energy: 1.1746589130330214
Energy: 1.195667202864265
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minimum gb energy = 1.1591065598666206 eV
minimum distance =  2.51471816536301 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.1749808031084816
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Energy: 1.1561411058681348
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Energy: 1.180246864562836
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Energy: 1.2002384691635803
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Energy: 1.1495732598361523
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Energy: 1.1697595644334078
Energy: 1.1826654491103297
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Energy: 1.2170286794125118
Energy: 1.1689530939490596
Energy: 1.1677618801941345
Energy: 1.1867062019935448
Energy: 1.1509210213328698
Energy: 1.1873365619858902
Energy: 1.187576939796349
Energy: 1.1754323411462326
Energy: 1.1688472340703535
Energy: 1.1772591530858734
Energy: 1.1847597310210842
Energy: 1.1859151609124858
Energy: 1.172527242790961
Energy: 1.1843644686834527
Energy: 1.1901638874760652
Energy: 1.1738428195260955
Energy: 1.209869391580078
Energy: 1.1947638634169493
Energy: 1.1614400622657415
Energy: 1.1657601387094936
Energy: 1.169621783449146
Energy: 1.1997285686214672
Energy: 1.190732980593672
Energy: 1.1609905232798947
Energy: 1.1670394403779465
Energy: 1.1709936131886998
Energy: 1.2311622517800214
Energy: 1.1830047235291614
Energy: 1.1706065980837947
Energy: 1.1871027102722387
Energy: 1.1888797871301333
Energy: 1.2105005814756244
Energy: 1.2287914609696224
Energy: 1.1728837301391366
Energy: 1.1895734929967963
Energy: 1.1680229327672236
Energy: 1.2153318962315602
Energy: 1.2312294162459565
Energy: 1.1785640789301213
Energy: 1.222586729565229
Energy: 1.1726228825482259
Energy: 1.2171351283140073
Energy: 1.2350752908429727
Energy: 1.1794748893959646
Energy: 1.1943521065072975
Energy: 1.147745948673349
Energy: 1.1682584131918001
Energy: 1.1775369926909647
Energy: 1.1719038076044292
Energy: 1.1896421912533197
Energy: 1.164040538803593
Energy: 1.1733564654703352
Energy: 1.1744128307871404
Energy: 1.1895671796825362
Energy: 1.186975690660853

minimum gb energy = 1.1386644755553534 eV
minimum distance =  2.48675269170853 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.1083939397363372
Energy: 1.1162485169799623
Energy: 1.1824593930245932
Energy: 1.1156664997888912
Energy: 1.1006106544550942
Energy: 1.1058564325536189
Energy: 1.1177538368713462
Energy: 1.1838305393695445
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Energy: 1.099955980867751
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Energy: 1.1228372390334689
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Energy: 1.109130911203568
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Energy: 1.1909252529312215
Energy: 1.0998615203604523
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Energy: 1.1716008099059432
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Energy: 1.1106262553411215
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Energy: 1.1777954543897011
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Energy: 1.0997325186091955
Energy: 1.1225537918492592
Energy: 1.1736263445417519
Energy: 1.12144792839368
Energy: 1.0999082862481668
Energy: 1.0998868773980204
Energy: 1.117464684609114
Energy: 1.1263325378764022
Energy: 1.1122703066502142
Energy: 1.0995687039035822
Energy: 1.0994892835443548
Energy: 1.1092348534846863
Energy: 1.1090812987387393
Energy: 1.1086396443411648
Energy: 1.1895382187240113
Energy: 1.1271914912812406
Energy: 1.111882834957952
Energy: 1.1008906746404856
Energy: 1.1089347238636944
Energy: 1.184806749433013
Energy: 1.1171244715821276
Energy: 1.1236372289083896
Energy: 1.102230255894448
Energy: 1.1178202117276128
Energy: 1.1013438257775232
Energy: 1.1094395333241074
Energy: 1.1095192520762078
Energy: 1.1732477901494036
Energy: 1.1155944142912022
Energy: 1.099180733280369
Energy: 1.1091596358678777
Energy: 1.109127257733745
Energy: 1.1099651879355614
Energy: 1.1119264266992512
Energy: 1.1710812862242233
Energy: 1.1222877611664899
Energy: 1.1002035450201453
Energy: 1.099953847392617
Energy: 1.1140263005974096
Energy: 1.1725982472154757
Energy: 1.116691494275961
Energy: 1.1012658184993787
Energy: 1.1003845154609881
Energy: 1.108681632087195
Energy: 1.100257162879115
Energy: 1.10837349328081
Energy: 1.0996901380048476
Energy: 1.1719108923249992
Energy: 1.1079868631749763
Energy: 1.1066465370009138
Energy: 1.1079922860531008
Energy: 1.0992898597424647
Energy: 1.110111485480083
Energy: 1.1225078278960987
Energy: 1.1103766400391342
Energy: 1.172190296737705
Energy: 1.1935335271111922
Energy: 1.1209381589804948
Energy: 1.1269280886485884
Energy: 1.116163556497104
Energy: 1.1782976080039225
Energy: 1.114419095175646
Energy: 1.1106815175018865
Energy: 1.0999542794782173
Energy: 1.1137614678550523
Energy: 1.1147126870058786
Energy: 1.1112691555037497
Energy: 1.173236268789064
Energy: 1.0998618723905227
Energy: 1.1097126517312734
Energy: 1.1002270461526782
Energy: 1.1159354722659653
Energy: 1.1720985357448839

minimum gb energy = 1.0991354988997388 eV
minimum distance =  2.50650262283946 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.028171363943809
Energy: 1.1410084245527017
Energy: 1.2246984386932693
Energy: 1.1386139176923697
Energy: 1.1955428119133489
Energy: 1.1170383836211346
Energy: 1.1342168633350598
Energy: 1.2084540787856457
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Energy: 1.1766668774171103
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Energy: 1.09985539990496
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Energy: 1.17413125493038
Energy: 1.136331483372096
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Energy: 1.153713954612211
Energy: 1.3196858391331396
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Energy: 1.1475890927590662
Energy: 1.1421121294767556
Energy: 1.1025242609504342
Energy: 1.170118274544568
Energy: 1.1251424908117587
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Energy: 1.1398326096915845
Energy: 1.1467273475832498
Energy: 1.1698496832333496
Energy: 1.1487858888816038
Energy: 1.099301432582904
Energy: 1.142568787128697
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Energy: 1.3121359495587024
Energy: 1.2562544832150884
Energy: 1.1072767150203573
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Energy: 1.3134658761730718
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Energy: 1.2527086740145554
Energy: 1.1260393950419116
Energy: 1.184615009260201
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Energy: 1.2059259352538063
Energy: 1.0932661063687645
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Energy: 1.1450921263322296
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Energy: 1.222814064971891
Energy: 1.1193297581983044
Energy: 1.1177805550955133
Energy: 1.158893667504853
Energy: 1.1902005960716993
Energy: 1.19736584319412
Energy: 1.2096025509748514
Energy: 1.2060292874760874
Energy: 1.1972404404498256
Energy: 1.190855521480173
Energy: 1.1975366202134738
Energy: 1.1829875760471709
Energy: 1.2619233406955053
Energy: 1.159559444548315
Energy: 1.152855845533134
Energy: 1.1956189785210118
Energy: 1.1775903136090728
Energy: 1.2634295351420395
Energy: 1.191241126435106
Energy: 1.1521774304448953
Energy: 1.1885914319353283
Energy: 1.1006768932075293
Energy: 1.1380859381628625
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Energy: 1.2130436434712029
Energy: 1.2561925858929222
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Energy: 1.137851497934775
Energy: 1.2576257354334264
Energy: 1.1840003199537146
Energy: 1.2553122514130808
Energy: 1.3126592743236645
Energy: 1.157466136550391
Energy: 1.2039785095099993
Energy: 1.1529749417167974
Energy: 1.1203181388901575
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Energy: 1.228093049944534
Energy: 1.1909893118744592
Energy: 1.152959172826917
Energy: 1.1196349487044102
Energy: 1.2720339846854927
Energy: 1.2974022164392542
Energy: 1.118590107481271
Energy: 1.119321513422362
Energy: 1.254649290043888
Energy: 1.3070892124810958
Energy: 1.2165277699900083
Energy: 1.1179891337484753
Energy: 1.1205495640406613
Energy: 1.2685278621433025
Energy: 1.2880508700643518
Energy: 1.119400796118315
Energy: 1.1266400478017078
Energy: 1.11790079561725
Energy: 1.1439898696102835
Energy: 1.1945232122242444
Energy: 1.1184958455389644
Energy: 1.1239303472422455
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Energy: 1.14477366215134
Energy: 1.270420614192534
Energy: 1.1208151922168743
Energy: 1.1207763138467093
Energy: 1.126588577529422
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Energy: 1.2019599862573813
Energy: 1.1201535528024014
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Energy: 1.1201312938142778
Energy: 1.1580567258346834
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Energy: 1.1319045016690739
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Energy: 1.1488362342667169
Energy: 1.1066985500549247
Energy: 1.1599120352906371
Energy: 1.1310504918506967
Energy: 1.2032041913642688
Energy: 1.1497471135392485
Energy: 1.1605762441640275
Energy: 1.1286712845908589
Energy: 1.2735803569640438
Energy: 1.1566376221778347
Energy: 1.092384061015994
Energy: 1.1262865477783812
Energy: 1.1212378765080497
Energy: 1.273467952384341
Energy: 1.1768187575647178
Energy: 1.1082051856353572
Energy: 1.1427100205500125
Energy: 1.1882189981703366
Energy: 1.1466458838713869
Energy: 1.1449296927897965
Energy: 1.1473233499181792
Energy: 1.1454358935133397
Energy: 1.1854963003195633
Energy: 1.15059406124967
Energy: 1.141125417954031
Energy: 1.1437906991655244
Energy: 1.1389670709938706
Energy: 1.3412551422545496
Energy: 1.16464646036031
Energy: 1.1102219186647317
Energy: 1.0894479445001082
Energy: 1.1598395421213459
Energy: 1.3083181207529202
Energy: 1.1638556782968945
Energy: 1.1027310084403648
Energy: 1.101021121287104
Energy: 1.1614326848559913
Energy: 1.186760699142075
Energy: 1.0902734894804134
Energy: 1.1214665489438571
Energy: 1.1193443731589736
Energy: 1.1380461015641723
Energy: 1.1880426723165791
Energy: 1.1123697504201862
Energy: 1.1207154562336323
Energy: 1.1209175824980966
Energy: 1.137150779358095
Energy: 1.1897869728751767
Energy: 1.166058797049774
Energy: 1.2856733868069314
Energy: 1.148888103233933
Energy: 1.1348170609232395
Energy: 1.1867570875396851
Energy: 1.175925659683062
Energy: 1.1258569528851243
Energy: 1.166806464767901
Energy: 1.1346972141181464
Energy: 1.122960366743893
Energy: 1.161853262021853
Energy: 1.27984952045421
Energy: 1.1498942161698524
Energy: 1.1262665842808357
Energy: 1.1262055489515617
Energy: 1.1428360427414574
Energy: 1.277806482843098
Energy: 1.1572424627048874
Energy: 1.163258823332577
Energy: 1.2629976135439287
Energy: 1.2842178867351373
Energy: 1.2874255092001345
Energy: 1.2322235608957508
Energy: 1.1411914051185104
Energy: 1.250166529023998
Energy: 1.2788549647144654
Energy: 1.281594410128121
Energy: 1.2496201149134871
Energy: 1.1247179663494524
Energy: 1.1037593865711932
Energy: 1.1836707963781132
Energy: 1.1525717398766355
Energy: 1.2798665392662252
Energy: 1.196156792101048
Energy: 1.1039819891913154
Energy: 1.2139605881814899
Energy: 1.1614676688072452
Energy: 1.2995838461413425
Energy: 1.162831585370044
Energy: 1.2498658340895374
Energy: 1.296230260860048
Energy: 1.296105266299405
Energy: 1.1867719268119201
Energy: 1.1250166858754864
Energy: 1.2701897178820907
Energy: 1.297042778280499
Energy: 1.2940074324880178
Energy: 1.1875125674981026
Energy: 1.1165393710041829
Energy: 1.1240528901697258
Energy: 1.1303638782479097
Energy: 1.1218574749045824
Energy: 1.1249450278142108
Energy: 1.1232341488897326
Energy: 1.1273302823207383
Energy: 1.1363670898322789
Energy: 1.1392094138270028
Energy: 1.1242899071344652
Energy: 1.1266317766364629
Energy: 1.1220327290312802
Energy: 1.149699760328126
Energy: 1.1890231028280853
Energy: 1.1159335166586557
Energy: 1.1166386545094107
Energy: 1.1843907889573264
Energy: 1.1898316879699922
Energy: 1.160885311419218
Energy: 1.1163602457320247
Energy: 1.1163042386354494
Energy: 1.2191899379053055
Energy: 1.1208288479295263
Energy: 1.1342990663575654
Energy: 1.2086324760593186
Energy: 1.1705087978588582
Energy: 1.1888436020090443
Energy: 1.115745586002335
Energy: 1.121069656222744
Energy: 1.2102287650746701
Energy: 1.20308939722455
Energy: 1.116560392846311
Energy: 1.1179011089574216
Energy: 1.1271761324372975
Energy: 1.3183429602570529
Energy: 1.1133542466309487
Energy: 1.0936734135327546
Energy: 1.0931730398195005
Energy: 1.1710060577878183
Energy: 1.3228933532984826
Energy: 1.1135346183422103
Energy: 1.122776468728808
Energy: 1.1212740377034556
Energy: 1.1200143889857883
Energy: 1.1186748495913599
Energy: 1.10274401512421
Energy: 1.133060415616192
Energy: 1.134509508465762
Energy: 1.1411755243536201
Energy: 1.1274671483658896
Energy: 1.1302068448034244
Energy: 1.1184761710945033
Energy: 1.101948504318188
Energy: 1.3161065538713137
Energy: 1.3056192199988745
Energy: 1.253333458144324
Energy: 1.0988402630908023
Energy: 1.0991836396009744
Energy: 1.3170287694335514
Energy: 1.1886876862612754
Energy: 1.1464575743839418
Energy: 1.148238390926748
Energy: 1.1487587299306452
Energy: 1.1156506213967168
Energy: 1.1588941275591917
Energy: 1.0890927164317803
Energy: 1.1317913622384532
Energy: 1.155148186613193
Energy: 1.179272140196776
Energy: 1.1618059967019156
Energy: 1.1015875250419407

minimum gb energy = 1.0853134241019267 eV
minimum distance =  2.48954804313762 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.5389353981111746
Energy: 1.092593111220962
Energy: 1.0582738648627206
Energy: 1.1487132433043492
Energy: 1.1828862736075834
Energy: 1.1283121295754095
Energy: 1.0951593701393083
Energy: 1.059243868956524
Energy: 1.108891082432377
Energy: 1.0344624527383233
Energy: 1.0381494451430744
Energy: 1.1794252198480029
Energy: 1.2370127168336453
Energy: 1.2411934634292905
Energy: 1.1645662498909854
Energy: 1.034472290611151
Energy: 1.1253430379238036
Energy: 1.2382521269654663
Energy: 1.1787711032491563
Energy: 1.0846016900075273
Energy: 1.1419355706550671
Energy: 1.1493053156103574
Energy: 1.0764591795576055
Energy: 1.067541981730304
Energy: 1.0403266728707763
Energy: 1.1417030912202382
Energy: 1.1505916051550276
Energy: 1.0769036837368677
Energy: 1.0800111664878478
Energy: 1.1566344710303453
Energy: 1.0784749454269578
Energy: 1.079456987720879
Energy: 1.0766627682922412
Energy: 1.056246049263719
Energy: 1.044028029699235
Energy: 1.0668736451262537
Energy: 1.0346680307535925
Energy: 1.0806939092163668
Energy: 1.0591933341560276
Energy: 1.0798783341232747
Energy: 1.0547433735098894
Energy: 1.0922092698329895
Energy: 1.059382339591282
Energy: 1.0570979904973854
Energy: 1.1169446496483528
Energy: 1.0542587612038785
Energy: 1.0906860658505522
Energy: 1.060361371905299
Energy: 1.0554880750874316
Energy: 1.115524870121695
Energy: 1.0348602169427883
Energy: 1.0569509102073609
Energy: 1.0336829019897225
Energy: 1.0566648801616039
Energy: 1.1129346206574977
Energy: 1.0723848198680022
Energy: 1.072010793797871
Energy: 1.033877080857359
Energy: 1.0579032336208807
Energy: 1.113370144796087
Energy: 1.1482970966604777
Energy: 1.1374746084111187
Energy: 1.136201237958182
Energy: 1.0366227504709866
Energy: 1.077496521514632
Energy: 1.1465203748205777
Energy: 1.137756788254927
Energy: 1.135838896205369
Energy: 1.0400916471794186
Energy: 1.0811027343234996
Energy: 1.1441410268425007
Energy: 1.035234233207938
Energy: 1.0351999525648317
Energy: 1.0639522111279258
Energy: 1.1807795316075815
Energy: 1.1439192950796921
Energy: 1.0347422959181312
Energy: 1.0748823887509573
Energy: 1.036223084687437
Energy: 1.1803802141286834
Energy: 1.074982646938926
Energy: 1.078758520240873
Energy: 1.090703967312911
Energy: 1.0776749610305476
Energy: 1.0366682768510953
Energy: 1.0766245274435968
Energy: 1.1935181407074655
Energy: 1.090774152568423
Energy: 1.0334175522510656
Energy: 1.0370411410633813
Energy: 1.0366594544319987
Energy: 1.059366820059896
Energy: 1.0373875675039064
Energy: 1.0337357316219353
Energy: 1.0982441455947447
Energy: 1.0580157420692802
Energy: 1.0646768142424747
Energy: 1.0373539695311713
Energy: 1.2309740135074847
Energy: 1.0961212057924776
Energy: 1.0381384102872753
Energy: 1.0334967643081818
Energy: 1.0901413366084827
Energy: 1.1133473473390394
Energy: 1.0317266981695807
Energy: 1.0391495744216028
Energy: 1.0330778812299748
Energy: 1.0928175008907623
Energy: 1.1128476909948999
Energy: 1.0382986667808205
Energy: 1.0417720387194187
Energy: 1.0361574067946457
Energy: 1.0418529660190983
Energy: 1.16600428738577
Energy: 1.0408434588581483
Energy: 1.0391180411203818
Energy: 1.0369378495143335
Energy: 1.037081026501143
Energy: 1.1711116444884524
Energy: 1.0385947244033784
Energy: 1.0382472217828183
Energy: 1.0369201355934792
Energy: 1.175996109253482
Energy: 1.1763884866145602
Energy: 1.0371034775003072
Energy: 1.037055315617833
Energy: 1.036533414715104
Energy: 1.178004542446764
Energy: 1.175440050334995
Energy: 1.035377379196422
Energy: 1.1127971643724273
Energy: 1.0920768562945367
Energy: 1.219825643714665
Energy: 1.041271266427836
Energy: 1.0374808129492972
Energy: 1.2575959241430321
Energy: 1.0924562166988687
Energy: 1.274693609078479
Energy: 1.0429334179313647
Energy: 1.0961636429702177

minimum gb energy = 1.0317266981695807 eV
minimum distance =  2.52934333555225 Angstroms
sigma value = 33