Model name: model_name=EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.024845376610756
cohesive_energy=2.6154510344801207
mass=26.981538
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=[1.071862576852536e-19, 1.5714837362224619e-19, 1.95896534862546e-19, 2.2773659111002796e-19, 2.54677191210738e-19, 2.77863891457986e-19, 2.9803849963331397e-19, 3.1571211008296797e-19, 3.31256427786036e-19, 3.4495664018336996e-19, 3.5703544982709598e-19, 3.67670698323588e-19, 3.7700818374653996e-19, 3.8516967152013603e-19, 3.92256098772318e-19, 3.98355585217956e-19, 4.03545035335482e-19, 4.07888536190256e-19, 4.1144376614110196e-19, 4.1426199484030796e-19, 4.1638968541025997e-19, 4.1786529009017397e-19, 4.18727261119266e-19, 4.1900924420684997e-19, 4.18708034999658e-19, 4.1773551378281996e-19, 4.15971517308786e-19, 4.1327986056366594e-19, 4.0949071282425596e-19, 4.0440700636457393e-19, 3.9778681251288596e-19, 3.8934173947507193e-19, 3.78724114921554e-19, 3.65499748984518e-19, 3.4914793425791397e-19, 3.2901177832180198e-19, 3.04280579799378e-19, 2.7393214999815e-19, 2.36662317138042e-19, 1.90808021872962e-19, 1.3420007725813738e-19, 6.39951004212084e-20, -2.36069511783462e-20, -1.337503462769736e-19, -2.7355884284242795e-19, -4.53202897929678e-19, -6.876125547203159e-19, -9.99187844734296e-19, -1.420118098725312e-18, -1.99530271468458e-18, -2.82090433418478e-18, -4.0761135963257396e-18, -6.0606176404971594e-18, -9.25542193575852e-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: -0.0307342631051472 eV

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

Energy: 0.009205997283561208
Energy: 0.00972037869938146
Energy: 0.058427489238908205
Energy: 0.05843391327245737
Energy: 0.009687132775797972
Energy: 0.01007096417936427
Energy: 0.05861621848592892
Energy: 0.05837487038044424
Energy: 0.05842373817532881
Energy: 0.00969935592226119
Energy: 0.009777853098166946
Energy: 0.05826212447065087
Energy: 0.05944377861896084
Energy: 0.05842942960967306
Energy: 0.05838351296384726
Energy: 0.05850718337082303
Energy: 0.0582776605170784
Energy: 0.059403739648151106
Energy: 0.05827209538981825
Energy: 0.05845726160428126
Energy: 0.058369740402577114
Energy: 0.009562870570825744
Energy: 0.009492078160271238
Energy: 0.05844427308215014
Energy: 0.058377566802144724
Energy: 0.058453748342516945
Energy: 0.0096360471234241
Energy: 0.009458565411653913
Energy: 0.05836249576759688
Energy: 0.05827822276731866
Energy: 0.05848382948028534
Energy: 0.009583709286932527
Energy: 0.009492656456052417
Energy: 0.05830020635144803
Energy: 0.058421612677036876
Energy: 0.058396193917657865
Energy: 0.009591212902524718
Energy: 0.009551445701200941
Energy: 0.058226213121975005
Energy: 0.058444818910354954
Energy: 0.058407365417832965
Energy: 0.058457084561315216
Energy: 0.058377696844941686
Energy: 0.009595443244809454
Energy: 0.0095975185352155
Energy: 0.05833299162831231
Energy: 0.05851763348127724
Energy: 0.058447598226640356
Energy: 0.009629120127488995
Energy: 0.058299031078949425
Energy: 0.05841375207083863
Energy: 0.058438674750663396
Energy: 0.05842932867170929
Energy: 0.009504032375467458
Energy: 0.009665931882201408
Energy: 0.058302844360658516
Energy: 0.05825825870115184
Energy: 0.05846309481426461
Energy: 0.00954704583517313
Energy: 0.009753581138206695
Energy: 0.009795197903667391
Energy: 0.05841168126447002
Energy: 0.058312525463462765
Energy: 0.05896919715528619
Energy: 0.058392555489940844
Energy: 0.009778429124539075
Energy: 0.058390849053534304
Energy: 0.05849682998121506
Energy: 0.058589023760239035
Energy: 0.05845200742206487

minimum gb energy = 0.009205997283561208 eV
minimum distance =  2.81206146434301 Angstroms
sigma value = 3


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

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Energy: 0.4916830856558462
Energy: 0.5165012126933254
Energy: 0.4790512130337198
Energy: 0.4916531980724921
Energy: 0.5592564914336431
Energy: 0.48469376008458215
Energy: 0.511121648006832
Energy: 0.4764646996643996
Energy: 0.4908492077136494
Energy: 0.44758773595449736
Energy: 0.5669247271812599
Energy: 0.5094619541922853
Energy: 0.4335685101371934
Energy: 0.43401445910916864
Energy: 0.42888997735656237
Energy: 0.5199480016050476
Energy: 0.5117968522317187
Energy: 0.4308312182460025
Energy: 0.42664820511093804
Energy: 0.47546874508904907
Energy: 0.5612065586552295
Energy: 0.43497306283301196
Energy: 0.4756963948043387
Energy: 0.4767246281159476
Energy: 0.4216341898083933
Energy: 0.5574121859631727
Energy: 0.43677745383780286
Energy: 0.42575333616648536
Energy: 0.4472284824313989
Energy: 0.4816873706216258
Energy: 0.43405181539991383
Energy: 0.546929798491189
Energy: 0.4693168702854423
Energy: 0.43889595134932596
Energy: 0.4201613895729681
Energy: 0.480816430855806
Energy: 0.5601448587234898
Energy: 0.41826236599828226
Energy: 0.45376199824529057
Energy: 0.5308571564556266
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Energy: 0.5452926139155952
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Energy: 0.388997304365583
Energy: 0.5085125365268302
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Energy: 0.40971602104032573
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Energy: 0.5507545091735904
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Energy: 0.49757364687592637
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Energy: 0.5346918171043953
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Energy: 0.6087129988852448
Energy: 0.49288483949135076
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Energy: 0.4977962784489543
Energy: 0.5070369262075104
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Energy: 0.49287161970795773
Energy: 0.5296798042623313
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Energy: 0.500276355839236
Energy: 0.40782839199358295
Energy: 0.5586675918853017
Energy: 0.5323886898647193
Energy: 0.5024119064972388
Energy: 0.4365237393398405
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Energy: 0.45497215090758225
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Energy: 0.43298400515982355
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Energy: 0.4575519536485132
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Energy: 0.42659249914826164
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Energy: 0.42767355443938926
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Energy: 0.4260180623623123
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Energy: 0.4894534863980477
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Energy: 0.529284363995111
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Energy: 0.4793392856373421
Energy: 0.45257039030181045
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Energy: 0.4935946113481295
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Energy: 0.49357727589759315
Energy: 0.4512545485363401
Energy: 0.4117422166440141
Energy: 0.5697830348467614
Energy: 0.50928990407413
Energy: 0.45939844620122716
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Energy: 0.4111441729016589
Energy: 0.5003322917527797
Energy: 0.43860697448379293
Energy: 0.4855433101026548
Energy: 0.4266527195544934
Energy: 0.43516959050495535
Energy: 0.44785717644453277
Energy: 0.4316174914759464
Energy: 0.5262451775975062
Energy: 0.4080635488200364
Energy: 0.4415313496345333
Energy: 0.427471836495775
Energy: 0.4361142040074947
Energy: 0.44992861994955197
Energy: 0.43922734889308745
Energy: 0.4517556965843119
Energy: 0.452809034029878
Energy: 0.4373277148783582
Energy: 0.5822754209626931
Energy: 0.4376312837059422
Energy: 0.4125577509074467
Energy: 0.528615306251909
Energy: 0.5132555000652609
Energy: 0.5393902278071627
Energy: 0.3865741882956207
Energy: 0.3885208804660751
Energy: 0.5255718717653556
Energy: 0.48518792521860793
Energy: 0.38459004538411495
Energy: 0.5236230834374963
Energy: 0.5134997558530652
Energy: 0.5378805388023398
Energy: 0.5422837875080532
Energy: 0.38388801732194605
Energy: 0.4565633692308572
Energy: 0.4726710399469069
Energy: 0.5126662325338858
Energy: 0.5479863562283243
Energy: 0.4543832061728511
Energy: 0.4272929224899397
Energy: 0.5178428508044607
Energy: 0.5146075864481415
Energy: 0.535352684709086
Energy: 0.4428881254101914
Energy: 0.5610414327626003
Energy: 0.5089697215709338
Energy: 0.513491008525432
Energy: 0.5007777726823529
Energy: 0.5217988159203716
Energy: 0.4785911041580614
Energy: 0.5138173542755169
Energy: 0.5142528738180029
Energy: 0.5049065220125739
Energy: 0.5510606925392838
Energy: 0.47461942350430414
Energy: 0.509197270929792
Energy: 0.4772739155467285
Energy: 0.4854867652380696

minimum gb energy = 0.3837598973250762 eV
minimum distance =  2.49108484506063 Angstroms
sigma value = 75


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

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Energy: 0.5410751716705838
Energy: 0.43588583060402936
Energy: 0.4997725313412107
Energy: 0.465191370498786
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Energy: 0.43797609651963865
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Energy: 0.428971644361127
Energy: 0.4260111063982869
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Energy: 0.4292397676060688
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Energy: 0.4271982119083024
Energy: 0.4334099436371051
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Energy: 0.45429436277407964
Energy: 0.4919973932542528
Energy: 0.42784995926683067
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Energy: 0.5341749073956504
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minimum gb energy = 0.3907445890686916 eV
minimum distance =  2.54086212487455 Angstroms
sigma value = 105


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

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Energy: 0.4529904079579174
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Energy: 0.4778762721617645
Energy: 0.47909010615955294
Energy: 0.49286813539704516
Energy: 0.47545539195315367
Energy: 0.45891194207672786
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Energy: 0.47311126811753845
Energy: 0.49318123210403203
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Energy: 0.4759872688629594
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Energy: 0.4735124143051824
Energy: 0.4720069383992204
Energy: 0.45561415566549907
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Energy: 0.45244585168771323
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Energy: 0.4712777295981598
Energy: 0.45567785161221114
Energy: 0.45925514394075456
Energy: 0.4968999528636407
Energy: 0.47065716887828063
Energy: 0.45355672607700753
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Energy: 0.4553236385717013
Energy: 0.46919795219601856
Energy: 0.4512473818534681
Energy: 0.451031712132842
Energy: 0.4913235918286811
Energy: 0.45746297118201695
Energy: 0.43867138640839487
Energy: 0.453969947397951
Energy: 0.4782746582468865
Energy: 0.49300182653712704
Energy: 0.48123670245072886
Energy: 0.43642964120203437
Energy: 0.4548677551442033
Energy: 0.47957575906976885
Energy: 0.4941393792737681
Energy: 0.45845053339200703
Energy: 0.46122327222266746
Energy: 0.46909169219856167
Energy: 0.4598354678051927
Energy: 0.46609548461395295
Energy: 0.48117560773736784
Energy: 0.46107119873826846
Energy: 0.46639479445888193
Energy: 0.45993887235453335
Energy: 0.46610294993232754
Energy: 0.45094589310936395
Energy: 0.43330404762994446
Energy: 0.4549048231569068
Energy: 0.4532492116740341
Energy: 0.4628154120927388
Energy: 0.46603795533997855
Energy: 0.47015134483893245
Energy: 0.4547017975768146
Energy: 0.4531370783321599
Energy: 0.46214761398285586
Energy: 0.49070308742883745
Energy: 0.43324533197338944
Energy: 0.4489687334099436
Energy: 0.4495972503519823
Energy: 0.47264373061172665
Energy: 0.47263677836162493
Energy: 0.433087155430799
Energy: 0.44912920507193754
Energy: 0.45102333802008765
Energy: 0.4680006769651693

minimum gb energy = 0.42462644727696236 eV
minimum distance =  2.57916806700392 Angstroms
sigma value = 165


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

Energy: 0.5963859778255044
Energy: 0.4409715404392931
Energy: 0.4175153933049257
Energy: 0.4386934907287048
Energy: 0.4348542163537393
Energy: 0.5419102213581414
Energy: 0.4397253232292994
Energy: 0.4326126449917085
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Energy: 0.46632476890061064
Energy: 0.45688956539706826
Energy: 0.45686723987436384
Energy: 0.4414362387057726
Energy: 0.43697719524778705
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Energy: 0.4578031835854936
Energy: 0.4367191953335129
Energy: 0.44354425306949
Energy: 0.48064271540892545
Energy: 0.4388770949357827
Energy: 0.4686978132086832
Energy: 0.42150521985581013
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Energy: 0.4615852435077225
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Energy: 0.41940827225900185
Energy: 0.46339004348624313
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Energy: 0.46946534177416027
Energy: 0.41644136196677023
Energy: 0.4615051915169676
Energy: 0.45686783480507376
Energy: 0.4608172042381156
Energy: 0.49374321162181756
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Energy: 0.41796632211788504
Energy: 0.4579756630100767
Energy: 0.5302361256935816
Energy: 0.5191980564698165
Energy: 0.456550990219824
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Energy: 0.49881025764890313
Energy: 0.42632920721830814
Energy: 0.4909397756708376
Energy: 0.4736705152908792
Energy: 0.4396980924292247
Energy: 0.43967995990118247
Energy: 0.46437014522066916
Energy: 0.4506946578574342
Energy: 0.46705061347113785
Energy: 0.44628763841020763
Energy: 0.4448976765914176
Energy: 0.44602948348499777
Energy: 0.4621471381314416
Energy: 0.4430368222634107
Energy: 0.4357311713625963
Energy: 0.41585391695678264
Energy: 0.44889136383978484
Energy: 0.4622891061144353
Energy: 0.43964703428827573
Energy: 0.4462058480827846
Energy: 0.4458342469725813
Energy: 0.4462950524120984
Energy: 0.43954600918975584
Energy: 0.4427830644797798
Energy: 0.43422830450300737
Energy: 0.42064144157115796
Energy: 0.43966055721272984
Energy: 0.42512886889612295
Energy: 0.44297882576121456
Energy: 0.4349780350309435
Energy: 0.418134098490533
Energy: 0.43038644057947334
Energy: 0.45702635112916884
Energy: 0.4471867578996028
Energy: 0.49243989226723006
Energy: 0.43266768568903585
Energy: 0.4362295491212287
Energy: 0.43821077608732556
Energy: 0.4422988381096741
Energy: 0.4472453545560207
Energy: 0.43157559252143846
Energy: 0.4582567705089057

minimum gb energy = 0.39705612240904553 eV
minimum distance =  2.61736226072473 Angstroms
sigma value = 41


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

Energy: 0.4611743753041023
Energy: 0.37219703688676276
Energy: 0.37378821586793365
Energy: 0.37700612857890314
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Energy: 0.377121342184294
Energy: 0.35940326195233474
Energy: 0.40100488689134256
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Energy: 0.40981886235608384
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Energy: 0.4030425773022681
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Energy: 0.399215161007258
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Energy: 0.38923420516101925
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Energy: 0.4066533383451976
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Energy: 0.41466668673554336
Energy: 0.42613075703064124
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Energy: 0.40423342985549476
Energy: 0.42826912696106867
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Energy: 0.3950755799611673
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Energy: 0.3794575238194022
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Energy: 0.3865810303278978
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Energy: 0.4480243825404966
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Energy: 0.411475486788886
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Energy: 0.433449524398172
Energy: 0.4043036725865425
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Energy: 0.4058501131808711
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Energy: 0.41287560465319506
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Energy: 0.360892923402245
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Energy: 0.39609202089370277
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Energy: 0.4058803547921832
Energy: 0.4265387334498416
Energy: 0.40367694763523704
Energy: 0.41242208760210686
Energy: 0.37869218886028255
Energy: 0.47447210235958115
Energy: 0.4034776553354893
Energy: 0.4051264084893326
Energy: 0.40651934614107327
Energy: 0.397928450294009
Energy: 0.4244485305812963
Energy: 0.4032499223927962
Energy: 0.4182771310086374
Energy: 0.3794851057169316
Energy: 0.385748237564864
Energy: 0.38474432197314967
Energy: 0.39850157369641137
Energy: 0.39140661206067423
Energy: 0.4007047763069188
Energy: 0.39049478876026783
Energy: 0.38449015240303436
Energy: 0.38939551414260726
Energy: 0.4054985033723293
Energy: 0.35984795373101147
Energy: 0.36127805725662965
Energy: 0.4048496185724345
Energy: 0.3895787334602295
Energy: 0.4056761464931507
Energy: 0.3885515362701073
Energy: 0.3919685219137206
Energy: 0.3858472138741306
Energy: 0.3915338684482741
Energy: 0.4035650603677399
Energy: 0.42368187197418694
Energy: 0.3596666417903115
Energy: 0.3592742620444144
Energy: 0.377191668910649
Energy: 0.3819806401062857
Energy: 0.39943306989620364
Energy: 0.36470479782690995
Energy: 0.3642027645246727
Energy: 0.410121564286714
Energy: 0.3818364652744279
Energy: 0.42391704886445225
Energy: 0.42135696446061444
Energy: 0.38015974495988447
Energy: 0.4274415829960389
Energy: 0.3813245689630322
Energy: 0.40061737370306244
Energy: 0.4020816617326013
Energy: 0.38971238183129353

minimum gb energy = 0.3591229070010165 eV
minimum distance =  2.59733503706216 Angstroms
sigma value = 185


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

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Energy: 0.340119118060269
Energy: 0.22404749131794868
Energy: 0.23714127698763537
Energy: 0.2777153815371965
Energy: 0.29833446100738054
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Energy: 0.21177750026069292
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Energy: 0.2343939754423029
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Energy: 0.21604523369383882
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Energy: 0.2298980823858822
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Energy: 0.24789403242155433
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Energy: 0.23166338252121746
Energy: 0.22466890673346918
Energy: 0.2151879056821325
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Energy: 0.2726950356020172
Energy: 0.22525787109087647
Energy: 0.22331115562227724
Energy: 0.2122013300970717
Energy: 0.21832017538288132
Energy: 0.2924967233295004
Energy: 0.22874527258507915
Energy: 0.2231933035397725
Energy: 0.20997516697898863
Energy: 0.26934524791772596
Energy: 0.31443933298222526
Energy: 0.25244045420652445
Energy: 0.2867992604181758
Energy: 0.22662863024209579
Energy: 0.29097909258826354
Energy: 0.3412552524515826
Energy: 0.24320868984959945
Energy: 0.22207514507223947
Energy: 0.22776542956171636
Energy: 0.21305444271019083
Energy: 0.21540125101572918
Energy: 0.23089489627570456
Energy: 0.22258394208235416
Energy: 0.22067102290281843
Energy: 0.2311031001216493
Energy: 0.22115097307744044
Energy: 0.2298744605116398
Energy: 0.23025784718503758
Energy: 0.21162699461175566
Energy: 0.33968143991130345
Energy: 0.22471045968996023
Energy: 0.22502773143656343
Energy: 0.22876265006749805
Energy: 0.23204459250707854
Energy: 0.27342095397808036
Energy: 0.22801363332776814
Energy: 0.2175202227409529
Energy: 0.21077580063498494
Energy: 0.3351394745465358

minimum gb energy = 0.20888256422981033 eV
minimum distance =  2.60958639701757 Angstroms
sigma value = 33


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

Energy: 0.49183191205535853
Energy: 0.34016504973675826
Energy: 0.3659492964790987
Energy: 0.33089914173059193
Energy: 0.33766108839503417
Energy: 0.44321531126705815
Energy: 0.3406659609005008
Energy: 0.35246663976850773
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Energy: 0.344367511069574
Energy: 0.3288660749872855
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Energy: 0.3411986608021866
Energy: 0.3412529836627503
Energy: 0.33010572570107705
Energy: 0.32853647454090895
Energy: 0.3542960879984759
Energy: 0.3392993795196612
Energy: 0.3406120686868071
Energy: 0.3287420984024811
Energy: 0.3284682582204778
Energy: 0.3333527579713595
Energy: 0.3396290778001711
Energy: 0.3353870425082877
Energy: 0.3513580800398153
Energy: 0.3372702140874009
Energy: 0.34292434977931113
Energy: 0.34206926439449004
Energy: 0.3464382366910896
Energy: 0.3458239850989465
Energy: 0.3365226799522176
Energy: 0.34211128107652183
Energy: 0.3400814472864509
Energy: 0.3405199674178673
Energy: 0.33814216576970707
Energy: 0.35140801552531337
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Energy: 0.34266549773745897
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Energy: 0.35018010211650397
Energy: 0.34571611883579684
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Energy: 0.33898094694322634
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Energy: 0.37211332087683463
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Energy: 0.3426012104017338
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Energy: 0.3391433511752531
Energy: 0.339793678773733
Energy: 0.35287528872801827
Energy: 0.35143612248112904
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Energy: 0.35748544335312993
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Energy: 0.35258747602731483
Energy: 0.3553097729733189
Energy: 0.39699222633821646
Energy: 0.34325989499192255
Energy: 0.34236667110418334
Energy: 0.37260132336651564
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Energy: 0.37094977151252223
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Energy: 0.3518306495095222
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Energy: 0.39429020888811656
Energy: 0.37872925585994566
Energy: 0.37673158889707803
Energy: 0.33946745637382314
Energy: 0.3639731702682246
Energy: 0.33608553354071996
Energy: 0.3498928857795525
Energy: 0.3400577597585495
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Energy: 0.33986281084441305
Energy: 0.3565120801718837
Energy: 0.33977789978424905
Energy: 0.34013108172668766
Energy: 0.34037029383886774
Energy: 0.3411876610792411
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Energy: 0.34013275698037715
Energy: 0.3333312570403718
Energy: 0.3331263846677688
Energy: 0.33905173431171864
Energy: 0.338817689751524
Energy: 0.33915282302402655
Energy: 0.3493762911923875
Energy: 0.35621092261785425
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Energy: 0.3387704367331526
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Energy: 0.3516877720478711
Energy: 0.33916903899271345
Energy: 0.33060051725000744
Energy: 0.348911995761006
Energy: 0.39419211515302915

minimum gb energy = 0.325125353580879 eV
minimum distance =  2.5810330158462 Angstroms
sigma value = 219


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

Energy: 0.42897838707127395
Energy: 0.45232759853516924
Energy: 0.4384404064703533
Energy: 0.418614113248376
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Energy: 0.4368082256930677
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Energy: 0.41745369894479184
Energy: 0.4140688838941829
Energy: 0.44153520606096036
Energy: 0.4364376876032193
Energy: 0.46971022095497483
Energy: 0.43980019068970405
Energy: 0.4168803084370051
Energy: 0.43901297384707194
Energy: 0.4068299123430481
Energy: 0.41463865926634874
Energy: 0.4397753980094571
Energy: 0.4399692611344702
Energy: 0.4385683881674317
Energy: 0.43521340324390195
Energy: 0.4380162818252714
Energy: 0.440138947259279
Energy: 0.3956148851387432
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Energy: 0.42238010404938475
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Energy: 0.39596884108688846
Energy: 0.3956425576125782
Energy: 0.44007889216912005
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Energy: 0.43794544429669485
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Energy: 0.4367511942714883
Energy: 0.4406490769747042
Energy: 0.4392728515904548
Energy: 0.4384279052779454
Energy: 0.4713283566805517
Energy: 0.4371163010734503
Energy: 0.43971312194276985
Energy: 0.43129924894811134
Energy: 0.4349604283553918
Energy: 0.43977822166118935
Energy: 0.46673454582053414
Energy: 0.44073823942056545
Energy: 0.43115452815908606
Energy: 0.4403744736765992
Energy: 0.44575774717915984
Energy: 0.4671017981096447
Energy: 0.44073241793480034
Energy: 0.4400788986598174
Energy: 0.4372752730091422
Energy: 0.44167983603993966
Energy: 0.43844270299854554
Energy: 0.44022652820180186
Energy: 0.4405691488220499
Energy: 0.43839268013729804
Energy: 0.4407683203479136
Energy: 0.43818222815242586
Energy: 0.4415455570604558
Energy: 0.43319407406309446
Energy: 0.43929013356091406
Energy: 0.41764674049524714
Energy: 0.4180506013508674
Energy: 0.43732706159136353
Energy: 0.4334534911174968
Energy: 0.43977569360168856
Energy: 0.41894542655481054
Energy: 0.41778849979141985
Energy: 0.4374627826286617

minimum gb energy = 0.3956148851387432 eV
minimum distance =  2.61597155930827 Angstroms
sigma value = 15


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

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minimum gb energy = 0.45707829164407415 eV
minimum distance =  2.57210947917414 Angstroms
sigma value = 293


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

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Energy: 0.48902459687594735
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Energy: 0.4578598157420169
Energy: 0.4735828450307554
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Energy: 0.47531678165784924
Energy: 0.48545401030964963
Energy: 0.47328004664640183
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Energy: 0.5251937573430515
Energy: 0.47145451351727946
Energy: 0.47167110595747
Energy: 0.48242939299889537
Energy: 0.4758873980397082
Energy: 0.4805487138766986
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Energy: 0.4807511244781495
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Energy: 0.47505468492043346
Energy: 0.4803302445282113
Energy: 0.46886602653281717
Energy: 0.48564957990160745
Energy: 0.46552341404256287
Energy: 0.46925911711359963
Energy: 0.47984153396669305
Energy: 0.5622420890151947
Energy: 0.48213894342117763
Energy: 0.46816022724064654
Energy: 0.46916958643969525
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Energy: 0.5624115199850187
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Energy: 0.49861607036882105
Energy: 0.5433964288979867
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Energy: 0.4853148762507089
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Energy: 0.485158554742505
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Energy: 0.4721266150719494
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Energy: 0.4770085155157787
Energy: 0.4729966261256235
Energy: 0.48530955337328224
Energy: 0.47196466515114616
Energy: 0.47995414386153873
Energy: 0.4699797726458884
Energy: 0.47252891049035006
Energy: 0.47348501922545605
Energy: 0.47762456908093237
Energy: 0.4948292117984503
Energy: 0.4698755078360127
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Energy: 0.4788713044686993
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Energy: 0.47421508191555606
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Energy: 0.47129546864902355
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Energy: 0.47491846348168887
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Energy: 0.47167062288714395
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Energy: 0.551734614854483
Energy: 0.48774013254514553
Energy: 0.47224728145476297
Energy: 0.48191087930484794
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Energy: 0.5377295667349917
Energy: 0.4863270875510949
Energy: 0.47241133377591127
Energy: 0.482298156441564
Energy: 0.48738967080030143
Energy: 0.49433085784782776
Energy: 0.49912335733482377
Energy: 0.48279432141012374
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Energy: 0.46760687834651943
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Energy: 0.4733873648686544
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Energy: 0.4747153765390286
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Energy: 0.4716745758391097
Energy: 0.46715412439103315
Energy: 0.4730752064373969
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Energy: 0.4816468401776228
Energy: 0.4595771150796024
Energy: 0.45900540454559113
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Energy: 0.4591279535347048
Energy: 0.4715614172362708
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Energy: 0.4942873591799116
Energy: 0.4754398708608591
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Energy: 0.46648781993783156
Energy: 0.4774426659903912
Energy: 0.47412065729252967
Energy: 0.46996845168217416
Energy: 0.4812648734431367
Energy: 0.46655477751300845
Energy: 0.47627962697041204
Energy: 0.46254957917070283
Energy: 0.48913831761784177
Energy: 0.4670943152340067
Energy: 0.48834518719037745
Energy: 0.4600978074104991
Energy: 0.48013442175931514
Energy: 0.5410310418312256
Energy: 0.4678787751678066
Energy: 0.48741733353100136
Energy: 0.46071492870363323
Energy: 0.4918233337919018
Energy: 0.4742645630820421
Energy: 0.48049277940545704
Energy: 0.4733889874622853
Energy: 0.4802774058338312
Energy: 0.4846304394807746
Energy: 0.47594027033015274
Energy: 0.5132691751740577
Energy: 0.4723311205223816
Energy: 0.45923510915322313
Energy: 0.47384158236326807
Energy: 0.47098038528861785
Energy: 0.47582795871927624
Energy: 0.5350919669502726
Energy: 0.487587036684432
Energy: 0.47525318566875113
Energy: 0.4716952856993325
Energy: 0.47050731321737577
Energy: 0.4794966782181593
Energy: 0.48772548505694074
Energy: 0.47195127040467577
Energy: 0.4938453992001475
Energy: 0.48656750508771746
Energy: 0.5248021181172344
Energy: 0.4760174740993029
Energy: 0.47193394909658
Energy: 0.49393879370244204
Energy: 0.488041060206162
Energy: 0.47765728948088576
Energy: 0.4713001727535391
Energy: 0.4748748102370999
Energy: 0.4814255038553614
Energy: 0.47789750173601564
Energy: 0.4742286524488933
Energy: 0.4689479959673248
Energy: 0.48172612132334885
Energy: 0.4832423306979435
Energy: 0.4720797891647258
Energy: 0.47451810362571334
Energy: 0.4688780072318369
Energy: 0.4813053946663473
Energy: 0.4670881689901914
Energy: 0.4894605745407099
Energy: 0.5403678983206389
Energy: 0.5613575856042922
Energy: 0.4819417889719495
Energy: 0.4690809125055022
Energy: 0.489100862917711
Energy: 0.48401615247673796
Energy: 0.5629415578616926
Energy: 0.4584243059442362
Energy: 0.483637406064403
Energy: 0.4821601032135168
Energy: 0.49120237417320145
Energy: 0.4680372156002965
Energy: 0.46037853197467
Energy: 0.48448195471154637
Energy: 0.48198378381050083
Energy: 0.47298476230284325
Energy: 0.46893928713343647

minimum gb energy = 0.457493376124651 eV
minimum distance =  2.57697352753874 Angstroms
sigma value = 293


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

Energy: 0.45763097223229077
Energy: 0.45769962870835695
Energy: 0.45333238241482277
Energy: 0.4908587748424449
Energy: 0.4571635269260383
Energy: 0.4571729173244067
Energy: 0.4639991656242801
Energy: 0.4532159269073789
Energy: 0.4886668911535105
Energy: 0.456954982814073
Energy: 0.44501526089329163
Energy: 0.46011917001876274
Energy: 0.46150134684497707
Energy: 0.465383043538334
Energy: 0.4899219360479363
Energy: 0.4477109045183532
Energy: 0.4632390566684092
Energy: 0.46776638063737425
Energy: 0.4651854150795223
Energy: 0.48795866307251023
Energy: 0.4657514454229894
Energy: 0.4672556300920425
Energy: 0.4613809731012121
Energy: 0.45316784166676083
Energy: 0.4593957815813964
Energy: 0.4659741979643361
Energy: 0.46556928946984955
Energy: 0.4624656187816497
Energy: 0.45336376490140984
Energy: 0.45874011823775157
Energy: 0.4572287125967611
Energy: 0.44486217870178957
Energy: 0.45779464494171795
Energy: 0.4656252510504156
Energy: 0.45913728499566836
Energy: 0.4551030585504396
Energy: 0.4451934196597935
Energy: 0.4573572935749226
Energy: 0.4657018382534332
Energy: 0.46076404018623013
Energy: 0.49096421845352195
Energy: 0.45686606894293064
Energy: 0.45947387386936633
Energy: 0.4540178059516319
Energy: 0.4610513869616121
Energy: 0.4904575762933075
Energy: 0.459453779220483
Energy: 0.4595565147176975
Energy: 0.4526910077771086
Energy: 0.46139263235534655
Energy: 0.4650658833152351
Energy: 0.45300630767334976
Energy: 0.48788874881903166
Energy: 0.46282120214260486
Energy: 0.46725773486360017
Energy: 0.4656198597314278
Energy: 0.4529159430425925
Energy: 0.4923758367346564
Energy: 0.4640804949344946
Energy: 0.4668474162703033
Energy: 0.46707876746422416
Energy: 0.45651037936237754
Energy: 0.4661245347632388
Energy: 0.4615292402837935
Energy: 0.45269909706483463
Energy: 0.46782125646166395
Energy: 0.45574392768943117
Energy: 0.49033077781694673
Energy: 0.4583872975652422
Energy: 0.45307856987189904
Energy: 0.48883693460003175
Energy: 0.4496932572873385
Energy: 0.45385261885207134
Energy: 0.4588558272374423
Energy: 0.45692083812190987
Energy: 0.4859931910627359
Energy: 0.46229473796451825
Energy: 0.4569801129990731
Energy: 0.4588323025130256
Energy: 0.45711557086020205
Energy: 0.4624218799069188
Energy: 0.4660716488054729
Energy: 0.4654782574191852
Energy: 0.459233489135979
Energy: 0.44806409256864016
Energy: 0.4620014029274426
Energy: 0.4645441776426724
Energy: 0.46538732071015826
Energy: 0.45906287464028656
Energy: 0.4638202527666512
Energy: 0.4644290268079399
Energy: 0.4666981089989702
Energy: 0.46518973550016474
Energy: 0.4861933291987984
Energy: 0.5355704309385614
Energy: 0.46582346517308443
Energy: 0.4620940177771875
Energy: 0.46123444114479384
Energy: 0.48599082623650214
Energy: 0.5334451169871427
Energy: 0.44544456373319674
Energy: 0.4885546576108068
Energy: 0.4896832428690812
Energy: 0.46559906210818885
Energy: 0.460487963847124
Energy: 0.4456649625175038
Energy: 0.4888313491514057
Energy: 0.4594784975624439
Energy: 0.4619105050076454
Energy: 0.46063885219551254
Energy: 0.4576127554150792
Energy: 0.4903115966393922
Energy: 0.45283735264954855
Energy: 0.5337954478355565
Energy: 0.45720462350316116
Energy: 0.45735479447665495
Energy: 0.4877375371787608
Energy: 0.45301841388512976
Energy: 0.49078757705797876
Energy: 0.4570159739805368
Energy: 0.4484718056793379
Energy: 0.46056282083462313
Energy: 0.46126481952974646
Energy: 0.4650901785792568
Energy: 0.49015452979856605
Energy: 0.4496874543815637
Energy: 0.46440348814825516
Energy: 0.46780239047059313
Energy: 0.4650392870305903
Energy: 0.48647588137265546
Energy: 0.46586136640882897
Energy: 0.4671277625621241
Energy: 0.46121738481459695
Energy: 0.4531326275093235
Energy: 0.4594909213445329
Energy: 0.46572890243178183
Energy: 0.4656590831705106
Energy: 0.463674770147746
Energy: 0.45359359085417283
Energy: 0.45885758652019737
Energy: 0.45522967266967473
Energy: 0.44484713413253923
Energy: 0.45729418807558514
Energy: 0.4656814576566405
Energy: 0.4585713807776026
Energy: 0.4539392668471497
Energy: 0.4449965921398718
Energy: 0.4571173942514844
Energy: 0.46577944149125894
Energy: 0.459142348320292
Energy: 0.49086505224155597
Energy: 0.4569242487147376
Energy: 0.4599916354086702
Energy: 0.45402014246074673
Energy: 0.46103212401179905
Energy: 0.4907116237974396
Energy: 0.4568665705448038
Energy: 0.45967895664875236
Energy: 0.4555470847628019
Energy: 0.4613122510090085
Energy: 0.4640927225492648
Energy: 0.45273619940625875
Energy: 0.48810694126937476
Energy: 0.462313383036606
Energy: 0.4674860839437863
Energy: 0.4651340321707043
Energy: 0.452861084177659
Energy: 0.49022135179498044
Energy: 0.46366168281460757
Energy: 0.4672486203066861
Energy: 0.46711397443044333
Energy: 0.4565655887732717
Energy: 0.46456616897748837
Energy: 0.46899748389892254
Energy: 0.4528157931044233
Energy: 0.4678580972582339
Energy: 0.45566952219288376
Energy: 0.46157809612700684
Energy: 0.4581535320191812
Energy: 0.4534732749466408
Energy: 0.48803216937294125
Energy: 0.44723527281864034
Energy: 0.45503536705320446
Energy: 0.4582892596455145
Energy: 0.4569139284574074
Energy: 0.4860353118670084
Energy: 0.4618170468909265
Energy: 0.45621832751099933
Energy: 0.45835934371332343
Energy: 0.45699182729510557
Energy: 0.4642590388320125
Energy: 0.4672042450906831
Energy: 0.46517765188753435
Energy: 0.44625713868597505
Energy: 0.4482070238445811
Energy: 0.46349512336982845
Energy: 0.464965934330457
Energy: 0.46513078307893013
Energy: 0.44483253205801015
Energy: 0.45567565019523465
Energy: 0.46447571626599
Energy: 0.46407853493651496
Energy: 0.4658716599715847
Energy: 0.48607314766356835
Energy: 0.5355857021432727
Energy: 0.4664733001364271
Energy: 0.46008676920874836
Energy: 0.5525681927206709
Energy: 0.48605471276963025
Energy: 0.533626650762171
Energy: 0.4463037149455455
Energy: 0.4909673911297769
Energy: 0.48960830986597914
Energy: 0.4619087665640663
Energy: 0.4608217669117046
Energy: 0.4461672848608472
Energy: 0.4926193928951365
Energy: 0.45947107109164037
Energy: 0.4618737014105463
Energy: 0.4605450808237049

minimum gb energy = 0.44483253205801015 eV
minimum distance =  2.5974321389391 Angstroms
sigma value = 15


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

Energy: 0.5031715276721378
Energy: 0.49196270839038514
Energy: 0.490572923817858
Energy: 0.5187204852843338
Energy: 0.5315268230049709
Energy: 0.5184306294789719
Energy: 0.49039636839982076
Energy: 0.48985453551027414
Energy: 0.5165525920111057
Energy: 0.5256650784885687
Energy: 0.45500190010981006
Energy: 0.47766561412514996
Energy: 0.4941925995747678
Energy: 0.49844122216134923
Energy: 0.49032371194060004
Energy: 0.4539926332444236
Energy: 0.4961034504034022
Energy: 0.49545924936872504
Energy: 0.4931725216546496
Energy: 0.4718679158350827
Energy: 0.49015675011362075
Energy: 0.4877409984548657
Energy: 0.5023926793472038
Energy: 0.5007939980065584
Energy: 0.5022585565453163
Energy: 0.5646339923012811
Energy: 0.4971777759168869
Energy: 0.4984711624349191
Energy: 0.46795262674783794
Energy: 0.4868949671608794
Energy: 0.4812358842432991
Energy: 0.4906122815053717
Energy: 0.5115931295819244
Energy: 0.509768626878649
Energy: 0.4941587878557652
Energy: 0.4942257825008231
Energy: 0.5052395864005309
Energy: 0.5177685303299355
Energy: 0.4898239036767004
Energy: 0.4866776357402707
Energy: 0.5116888275155016
Energy: 0.5275299866321455
Energy: 0.47418639196568296
Energy: 0.48340730001809235
Energy: 0.48111479460946405
Energy: 0.501427299367118
Energy: 0.512138934453071
Energy: 0.4690539306445878
Energy: 0.47582719847340027
Energy: 0.47839929321529645
Energy: 0.48457507172872333
Energy: 0.47173549084545285
Energy: 0.47482401276106756
Energy: 0.5323405739276605
Energy: 0.47738180301715705
Energy: 0.48723072125375755
Energy: 0.4754746837419654
Energy: 0.4714396656776201
Energy: 0.5032339895766598
Energy: 0.47725981391679806
Energy: 0.47083845898629134
Energy: 0.47477047799109734
Energy: 0.4757603283116176
Energy: 0.528387900391183
Energy: 0.5157813625715563
Energy: 0.47281054428621555
Energy: 0.4746383502810677
Energy: 0.4768836992758524
Energy: 0.5323126416303239
Energy: 0.5175499920559075
Energy: 0.5037359204322017
Energy: 0.4726876815182325
Energy: 0.4688574099353259
Energy: 0.49959699990564876
Energy: 0.5399763224676073
Energy: 0.48062836866919567
Energy: 0.4686769695529234
Energy: 0.47108001660340604
Energy: 0.4603301124775154
Energy: 0.5315064826998203
Energy: 0.47409861592630953
Energy: 0.4784335659862863
Energy: 0.5292429248589151
Energy: 0.5108082812727543
Energy: 0.4965412299461334
Energy: 0.48330473561923737
Energy: 0.47855085477121184
Energy: 0.5303132757781105
Energy: 0.5182756941499299
Energy: 0.4755803025393045
Energy: 0.5113788587768122
Energy: 0.5022036393284023
Energy: 0.47973246455464397
Energy: 0.48209888447803717
Energy: 0.4834687047940393
Energy: 0.5146416689182716
Energy: 0.49982884944953554
Energy: 0.4805186002366627
Energy: 0.48243222162828825
Energy: 0.48286847720957177
Energy: 0.4990593649030751
Energy: 0.5043846547337759
Energy: 0.47925125841490596
Energy: 0.4799925162858135
Energy: 0.48277743355237784
Energy: 0.5070518753621323
Energy: 0.5022378758670893
Energy: 0.49473826204204596
Energy: 0.4799123448932068
Energy: 0.48287091867909726
Energy: 0.5649224736332851
Energy: 0.5087633347172977
Energy: 0.477947618270618
Energy: 0.4612517604498859
Energy: 0.5211907671940101
Energy: 0.5630490828977783
Energy: 0.49902839831179513
Energy: 0.4826804778516778
Energy: 0.4562017348733246
Energy: 0.5269261690511967
Energy: 0.5044615953875483
Energy: 0.525158008947733
Energy: 0.5286357497331693
Energy: 0.52560090676295
Energy: 0.4902231476400666
Energy: 0.5035846699712638
Energy: 0.5240404179992799
Energy: 0.5292404146211958
Energy: 0.5187383845753848
Energy: 0.4909842277203733
Energy: 0.5043321422003706
Energy: 0.4968588061529812
Energy: 0.46630052710858744
Energy: 0.5094086993591671
Energy: 0.48235608678914393
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Energy: 0.4956456918793452
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Energy: 0.5212839961881424
Energy: 0.48327720245650385
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Energy: 0.5346404635603607
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Energy: 0.49587880340002843
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Energy: 0.5191486088133235
Energy: 0.4777241686208763
Energy: 0.4866783968362951
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Energy: 0.47424073712268483
Energy: 0.4648414149949626
Energy: 0.4911200984595767
Energy: 0.4694182042409937
Energy: 0.48441795362425216
Energy: 0.4894033052685967
Energy: 0.49287497269260755
Energy: 0.4999967786756012
Energy: 0.4897891826520283
Energy: 0.4831091097013399
Energy: 0.46779397607082784
Energy: 0.4973815045142772
Energy: 0.5034918308653267
Energy: 0.4879491499470011
Energy: 0.4743301684637302
Energy: 0.49623702651985135
Energy: 0.49367608093139914
Energy: 0.49304243785780516
Energy: 0.5179195709565506
Energy: 0.5013137989809389
Energy: 0.553575612983476
Energy: 0.5159322367258699
Energy: 0.4913150799111879
Energy: 0.4652594517379253
Energy: 0.48474459115820706
Energy: 0.5310673207560981
Energy: 0.5066024431628007
Energy: 0.5046243403350009
Energy: 0.48849684529017023

minimum gb energy = 0.4539926332444236 eV
minimum distance =  2.57407188681941 Angstroms
sigma value = 437


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

Energy: 0.67152372631
Energy: 0.48652431745456826
Energy: 0.5167953687570324
Energy: 0.5245670097593346
Energy: 0.5017764451827337
Energy: 0.4423672106209606
Energy: 0.5058602941479253
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Energy: 0.507868987544588
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Energy: 0.4954860733389155
Energy: 0.44689621930663914
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Energy: 0.44969441266440924
Energy: 0.49641087008797086
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Energy: 0.5056031140217667
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Energy: 0.4442729785899184
Energy: 0.5058539996061845
Energy: 0.47033329628314235
Energy: 0.5233951717803086
Energy: 0.4446038354610267
Energy: 0.47068890309482514
Energy: 0.4458020231009018
Energy: 0.4474545816209205
Energy: 0.44345881280358207
Energy: 0.5102244084522013
Energy: 0.49789450295281584
Energy: 0.44766048845409273
Energy: 0.4561562527071874
Energy: 0.4465273343632235
Energy: 0.4916743191722149
Energy: 0.4493768754920617
Energy: 0.4494625582011231
Energy: 0.528005744964633
Energy: 0.4839258411286294
Energy: 0.45010945669893315
Energy: 0.4493871354851339
Energy: 0.44932933443160766
Energy: 0.48894537300875823
Energy: 0.4832787131407838
Energy: 0.4476288501740077
Energy: 0.4506999790997067
Energy: 0.45075302950278984
Energy: 0.45020843741963795
Energy: 0.4855119006906431
Energy: 0.45389619156813266
Energy: 0.45281731610087583
Energy: 0.45140839672913885
Energy: 0.4510761169858061
Energy: 0.4853035413412677
Energy: 0.44944572987622267
Energy: 0.44971320544792365
Energy: 0.4478399714203826
Energy: 0.4478985173324806
Energy: 0.4523596182631431
Energy: 0.5283395822044821
Energy: 0.4499255699110423
Energy: 0.4485616833111312
Energy: 0.447495855837256
Energy: 0.45225235239869194
Energy: 0.5267662048074623
Energy: 0.5340385547389092
Energy: 0.47007083988672155
Energy: 0.516274722499699
Energy: 0.4963827783000263
Energy: 0.4450369160406022
Energy: 0.5363770318777153
Energy: 0.4718598928421528
Energy: 0.5190633842768254
Energy: 0.44669830958322443
Energy: 0.4513787341729042

minimum gb energy = 0.4423672106209606 eV
minimum distance =  2.60982229082665 Angstroms
sigma value = 33