Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_001
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=4.044650763273239
cohesive_energy=3.360264280667937
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=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.50112299202692e-19, 4.641089142773159e-19, 4.76429652592776e-19, 4.872683775217859e-19, 4.959409596416279e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.011713306906904404
Energy: 0.012460014484896234
Energy: 0.06151633485453051
Energy: 0.06146966741047049
Energy: 0.012290908265497091
Energy: 0.01262790400586423
Energy: 0.06203947238230289
Energy: 0.06159385774173071
Energy: 0.06149212574696029
Energy: 0.01225187223531881
Energy: 0.012535775952339706
Energy: 0.23956076980639038
Energy: 0.06235210341789996
Energy: 0.06129967077720703
Energy: 0.061403266216536606
Energy: 0.06172631781426815
Energy: 0.06115637619840641
Energy: 0.06219478226541155
Energy: 0.0613719857754429
Energy: 0.06156283022968244
Energy: 0.06146043470430471
Energy: 0.012292289659753236
Energy: 0.012031178846369797
Energy: 0.062244882006197794
Energy: 0.06148431765196514
Energy: 0.06147742103506516
Energy: 0.012201691370069823
Energy: 0.01202494140755208
Energy: 0.06172443327430075
Energy: 0.06152352482305205
Energy: 0.06140196116256367
Energy: 0.01230772087683781
Energy: 0.012251805290265755
Energy: 0.06135143121835606
Energy: 0.06154580514995186
Energy: 0.06136262261986265
Energy: 0.012176149484539624
Energy: 0.012130287367493284
Energy: 0.24084274781032508
Energy: 0.06150343424834634
Energy: 0.061490704075569974
Energy: 0.061417739023254536
Energy: 0.06140185886884323
Energy: 0.012058984479040474
Energy: 0.01215715245341287
Energy: 0.0613901055425529
Energy: 0.06155619140450201
Energy: 0.06147477830235244
Energy: 0.012203776455493425
Energy: 0.2395970868224371
Energy: 0.06142123362052262
Energy: 0.06129655723269223
Energy: 0.061968469501789906
Energy: 0.012148102448691706
Energy: 0.01227953263784602
Energy: 0.061257731518326135
Energy: 0.06127893034808295
Energy: 0.062461406465096354
Energy: 0.012215650165365714
Energy: 0.012392992656389202
Energy: 0.012565219403249084
Energy: 0.061218072172372455
Energy: 0.06144034091053446
Energy: 0.06317919530534169
Energy: 0.06134498762582774
Energy: 0.012479402213294258
Energy: 0.06128031509416995
Energy: 0.0614145771452182
Energy: 0.06191462555878152
Energy: 0.061435112394767365

minimum gb energy = 0.011713306906904404 eV
minimum distance =  2.82507601924925 Angstroms
sigma value = 3


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

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Energy: 0.66067435833405
Energy: 0.6309565555509662
Energy: 0.6365093963518662
Energy: 0.6984052226548558
Energy: 0.6356791599334187
Energy: 0.6991437683645053
Energy: 0.6307597520911591
Energy: 0.6306095398884114
Energy: 0.6595732601551648
Energy: 0.5576516329533604
Energy: 0.6723593401684006
Energy: 0.6758946885130124
Energy: 0.5776155293253091
Energy: 0.4971314567619174
Energy: 0.4964856997963135
Energy: 0.6631998022470408
Energy: 0.6350679396771399
Energy: 0.6109029127792436
Energy: 0.61999918317395
Energy: 0.6072437432971775
Energy: 0.670201408345128
Energy: 0.5590112120147909
Energy: 0.496728716837072
Energy: 0.49712029277662256
Energy: 0.4971891326135583
Energy: 0.6666592632056133
Energy: 0.5597809330668412
Energy: 0.6072627123932129
Energy: 0.6100526333987585
Energy: 0.6115565841963468
Energy: 0.6628049295895025
Energy: 0.5505900547319862
Energy: 0.49682928246751334
Energy: 0.497186609861996
Energy: 0.4966370738122565
Energy: 0.6823798519070944
Energy: 0.5566892807307594
Energy: 0.6107747268341772
Energy: 0.6082653484100686
Energy: 0.6401803842807117
Energy: 0.6246172451752997
Energy: 0.6711706614951499
Energy: 0.552301911328289
Energy: 0.558885833092413
Energy: 0.4992837084578452
Energy: 0.6266065969154399
Energy: 0.7081993582822027
Energy: 0.5564425837187805
Energy: 0.5603546223220042
Energy: 0.6621320381334012
Energy: 0.7397659240236975
Energy: 0.5579913010790382
Energy: 0.5574691738417555
Energy: 0.6668573688372187
Energy: 0.6336835141540292
Energy: 0.7438326790808226
Energy: 0.5588336238276509
Energy: 0.5522298797079347
Energy: 0.6667991439352853
Energy: 0.6430649734146918
Energy: 0.6276984372741905
Energy: 0.5667042827671096
Energy: 0.5660681992939154
Energy: 0.5678930601440686
Energy: 0.652815375984296
Energy: 0.7049138396254088
Energy: 0.6269877861140342
Energy: 0.6370391899122443
Energy: 0.6877321117817349
Energy: 0.6256510689022187
Energy: 0.6933198229541018
Energy: 0.5915392792962456
Energy: 0.590042794037298
Energy: 0.6908601026160984
Energy: 0.6314501223702855
Energy: 0.6962710818058842
Energy: 0.6898843912340242
Energy: 0.5894030813109652
Energy: 0.6266154167126315
Energy: 0.6320374118553431
Energy: 0.5651457360425592
Energy: 0.565599573603707
Energy: 0.5539557177346933
Energy: 0.6821153352835172
Energy: 0.6579878477669514
Energy: 0.5686201847480576
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Energy: 0.7005603044600565
Energy: 0.6784762566154054
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Energy: 0.611156408187579
Energy: 0.5591693195108891
Energy: 0.7135752829691434
Energy: 0.688689613289902
Energy: 0.6137571522370918
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Energy: 0.708835051664648
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Energy: 0.6915062507308903
Energy: 0.6242454045041568
Energy: 0.6240374908708137
Energy: 0.6858436992620605
Energy: 0.6856917463814689
Energy: 0.6438811555857443
Energy: 0.49749818193241474
Energy: 0.4996171169532212
Energy: 0.6499272142500051
Energy: 0.7008732825818237
Energy: 0.647583929079928
Energy: 0.7374545777062894
Energy: 0.6614011658957779
Energy: 0.632455275858594
Energy: 0.6364289619399102
Energy: 0.6980653460154422
Energy: 0.6365276430394595
Energy: 0.6982631829764988
Energy: 0.6291361640223497
Energy: 0.6420367410617076
Energy: 0.6606769931394133
Energy: 0.5465993552226635
Energy: 0.6706801748566918
Energy: 0.6753339463089707
Energy: 0.6411357884263866
Energy: 0.49759193252311723
Energy: 0.4963447407341521
Energy: 0.6868641732810938
Energy: 0.6405948269441015
Energy: 0.6132949233568971
Energy: 0.6218023149450109
Energy: 0.6076652203564913
Energy: 0.6693352217017018
Energy: 0.5590316568337789
Energy: 0.4973641240744015
Energy: 0.4966955323358888
Energy: 0.49681198807319005
Energy: 0.6695637576552472
Energy: 0.5601270308880661
Energy: 0.5526464715145291
Energy: 0.6157661148281104
Energy: 0.6112179168540358
Energy: 0.5616190924666367
Energy: 0.552204812121968
Energy: 0.4964548661673953
Energy: 0.5323277590811292
Energy: 0.49629687979777376
Energy: 0.5616647159942344
Energy: 0.555626573712752
Energy: 0.6107580293983754
Energy: 0.5320053743265352
Energy: 0.6218801268302208
Energy: 0.646361184229874
Energy: 0.669336746921686
Energy: 0.5573882067589934
Energy: 0.498146001059412
Energy: 0.5610019882192296
Energy: 0.6461851821232798
Energy: 0.7096849099474938
Energy: 0.5562563330767248
Energy: 0.5609216000545739
Energy: 0.6896520885473222
Energy: 0.7390275151047939
Energy: 0.5585408515325779
Energy: 0.5513770633753766
Energy: 0.6664816840163744
Energy: 0.634802397510032
Energy: 0.7417558551068318
Energy: 0.5640343630868564
Energy: 0.6035951520623972
Energy: 0.6659466473074266
Energy: 0.6516799799441273
Energy: 0.6598240033884333
Energy: 0.6265018994853071
Energy: 0.6369060446737178
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Energy: 0.650941075776842
Energy: 0.6674214642430107
Energy: 0.6257096439062065
Energy: 0.6368013056035013
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Energy: 0.628914008504474
Energy: 0.6951746571867058
Energy: 0.7155894677747411
Energy: 0.5952521442416999
Energy: 0.6909628272920871
Energy: 0.6324279448745327
Energy: 0.6959935443028888
Energy: 0.7040656761280536
Energy: 0.5824656528234238
Energy: 0.6285496753464064
Energy: 0.6469844929919764
Energy: 0.5658467388235917
Energy: 0.5335534786822872
Energy: 0.617015179623909
Energy: 0.677910528968704
Energy: 0.6301909270374206
Energy: 0.5662380839375656
Energy: 0.5333173290952999
Energy: 0.5968786752282959
Energy: 0.6757954687592356
Energy: 0.6128490883901979
Energy: 0.5597028355181527
Energy: 0.5606272493524126
Energy: 0.5582704296787669
Energy: 0.5513836365092414
Energy: 0.592806646819202
Energy: 0.5646226034438524
Energy: 0.5620842055928803
Energy: 0.6202783777413508
Energy: 0.5525449177835006
Energy: 0.5862467388419789
Energy: 0.560377656056702
Energy: 0.5537262363238771
Energy: 0.5564684203813661
Energy: 0.5570384098084761
Energy: 0.5602425949350629
Energy: 0.558189061009816
Energy: 0.5563982779860317
Energy: 0.5539949416270226
Energy: 0.5573091477481654
Energy: 0.715017725536245
Energy: 0.612669835916387
Energy: 0.5584397729915833
Energy: 0.7171203881182169
Energy: 0.6828275628439887
Energy: 0.6155593351155259
Energy: 0.49901550176096315
Energy: 0.5587218799565317
Energy: 0.6589408143647965
Energy: 0.7125234687175597
Energy: 0.6075045937575048
Energy: 0.6034482229538515
Energy: 0.6662488912807629
Energy: 0.7435757972815027
Energy: 0.6346957858224366
Energy: 0.5033197640599495
Energy: 0.7476851721338268
Energy: 0.6164367680144708
Energy: 0.7393556993606125
Energy: 0.6364191300223068
Energy: 0.6143182157624576
Energy: 0.6181025760502099
Energy: 0.6881530915528004
Energy: 0.6888732297989473
Energy: 0.6514571305318668
Energy: 0.5027304630202931
Energy: 0.499413850642497
Energy: 0.6568586895063098
Energy: 0.7057421270592694
Energy: 0.6465905125255876
Energy: 0.7403348237940008
Energy: 0.5707644818661219
Energy: 0.6367098569618
Energy: 0.6320314587934548
Energy: 0.6976322444112637
Energy: 0.6381166110124773
Energy: 0.4996867684147982
Energy: 0.6346537417096523
Energy: 0.6408369757973105
Energy: 0.6602742006620435

minimum gb energy = 0.49629687979777376 eV
minimum distance =  2.48093138594404 Angstroms
sigma value = 75


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

Energy: 1.016780520767188
Energy: 0.5648470493131903
Energy: 0.5940651146885725
Energy: 0.6020953483948794
Energy: 0.710128627011163
Energy: 0.9163149171162304
Energy: 0.5984434024836511
Energy: 0.5962767433342209
Energy: 0.7306910106866922
Energy: 0.7025328892092956
Energy: 0.5741416866304215
Energy: 0.5931588901666808
Energy: 0.5984905468079132
Energy: 0.602443400079839
Energy: 0.5662352113754208
Energy: 0.5652017055738934
Energy: 0.5562834141125997
Energy: 0.6030251015861675
Energy: 0.6107026411443037
Energy: 0.5988226645084409
Energy: 0.6559138994705043
Energy: 0.7664904879361593
Energy: 0.767460826139724
Energy: 0.6002412582107173
Energy: 0.5971105948292206
Energy: 0.554753293577753
Energy: 0.7690628416473104
Energy: 0.771293538730692
Energy: 0.5853646192209703
Energy: 0.5958626413213902
Energy: 0.5834955731193215
Energy: 0.6173244900983472
Energy: 0.5711746537885221
Energy: 0.5745751460336961
Energy: 0.5933502716226275
Energy: 0.555001046451133
Energy: 0.6016466641892659
Energy: 0.5612821108916335
Energy: 0.5938392042561605
Energy: 0.5932913384202655
Energy: 0.5884336865673407
Energy: 0.5614002891180823
Energy: 0.6001716666583485
Energy: 0.6065130578811586
Energy: 0.559639415473289
Energy: 0.5798880591227588
Energy: 0.5579180912607457
Energy: 0.6080107188359855
Energy: 0.6182412287463451
Energy: 0.6049944849678637
Energy: 0.5903367011257049
Energy: 0.747561834700284
Energy: 0.6011406770666728
Energy: 0.6130612566929197
Energy: 0.6116023782295265
Energy: 0.5846096977569333
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Energy: 0.6070042527326897
Energy: 0.610321921517915
Energy: 0.5792257492601642
Energy: 0.602433755513022
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Energy: 0.5835938317486046
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Energy: 0.7133868154693518
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Energy: 0.5922194881554751
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Energy: 0.7670437115169015
Energy: 0.5804562720706966
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Energy: 0.7673360411662267
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Energy: 0.5944423696499651
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Energy: 0.6198553321070778
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Energy: 0.6124270052946466
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Energy: 0.5756025893117706
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Energy: 0.6132811316146353
Energy: 0.56237297018816
Energy: 0.6148439631849449
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Energy: 0.554081684680097
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Energy: 0.7655716113531295
Energy: 0.594728458957111
Energy: 0.6233240835044661
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Energy: 0.5549165765624179
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Energy: 0.6223988704063687
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Energy: 0.5601321774728524
Energy: 0.5821302054320818
Energy: 0.5647240779434555
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Energy: 0.779311249568428
Energy: 0.7265342972012033
Energy: 0.5813556810356817
Energy: 0.5790421966997293
Energy: 0.6137663971937801
Energy: 0.79065377724635
Energy: 0.7378136274831092
Energy: 0.5406757653572604
Energy: 0.5540736081671938
Energy: 0.607506971360464
Energy: 0.6166607578841329
Energy: 0.6173430242958251
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Energy: 0.57951333810753
Energy: 0.6025330290264042
Energy: 0.6096614591739284
Energy: 0.55381491442298
Energy: 0.5397762118183183
Energy: 0.703765651106006
Energy: 0.5710966344544798
Energy: 0.6252647886004585
Energy: 0.5626289822649295
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Energy: 0.55502226142257
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Energy: 0.5609962780639587
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Energy: 0.5948271318136721
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Energy: 0.767237193782802
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Energy: 0.5582479722641882
Energy: 0.6244925170392078
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minimum gb energy = 0.520394339836215 eV
minimum distance =  2.50226682277291 Angstroms
sigma value = 105


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

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Energy: 0.6356478254615971
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Energy: 0.6710180942819325
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Energy: 0.6705734213540784
Energy: 0.6849747200563386
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Energy: 0.5917787920641744
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Energy: 0.6355714089793549
Energy: 0.690804289244586
Energy: 0.6231376310778867
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Energy: 0.6873746880767323
Energy: 0.6350319225566454
Energy: 0.6273348491819333
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Energy: 0.6353907196888053
Energy: 0.5738469861617702
Energy: 0.6834473282529009
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Energy: 0.6351110485402762
Energy: 0.624457802425434
Energy: 0.6071069885055651
Energy: 0.6097215752333235
Energy: 0.6599939766797226
Energy: 0.6601628146240067
Energy: 0.6433847596721324
Energy: 0.6944272054170841
Energy: 0.9295276944164346
Energy: 0.6378221235847062
Energy: 0.6579364653081665
Energy: 0.6376810194708483
Energy: 0.6940709139246546
Energy: 0.6628809117849866
Energy: 0.639064869010856
Energy: 0.6525383719883584
Energy: 0.6356743275384703
Energy: 0.6348068022618146
Energy: 0.6640177077783221
Energy: 0.6363049657367833
Energy: 0.59716963859378
Energy: 0.657338501604924
Energy: 0.6354830833199954
Energy: 0.6366619981309102
Energy: 0.6307733275934687
Energy: 0.6392315117669433
Energy: 0.6411164043744795
Energy: 0.6337227810765189
Energy: 0.6382009509909187
Energy: 0.6252501187237584
Energy: 0.6255106044624901
Energy: 0.6377691508577333
Energy: 0.5994884468921633
Energy: 0.6625966759435616
Energy: 0.5876959829468146
Energy: 0.6382372752120168
Energy: 0.637606325378891
Energy: 0.6216735351934713
Energy: 0.6634006338846915
Energy: 0.6398754435245675
Energy: 0.6356242451106449
Energy: 0.6356164957647417
Energy: 0.5986360742936715
Energy: 0.6852834380752031
Energy: 0.6115219846651059
Energy: 0.6409515451903232
Energy: 0.6395783239108237
Energy: 0.6003383472486323
Energy: 0.6587814492969949
Energy: 0.6109334381916662
Energy: 0.6408128305464788
Energy: 0.6410965527941406
Energy: 0.6055529801137931
Energy: 0.6779554718484513
Energy: 0.6354507555596378
Energy: 0.6828255799424704
Energy: 0.736863065646952
Energy: 0.6896300521572729
Energy: 0.597244203312028
Energy: 0.7060002965348363
Energy: 0.6774088967649099
Energy: 0.7356328856851139
Energy: 0.7061835049579219
Energy: 0.6370046978279484
Energy: 0.6206586704057174
Energy: 0.6209755237709783
Energy: 0.6197777303439325
Energy: 0.6090526314238585
Energy: 0.6100022108224736
Energy: 0.6132796933557005
Energy: 0.6064051122527875
Energy: 0.6411112838753065
Energy: 0.6406567666529878
Energy: 0.5990973415917845
Energy: 0.6068054048272212
Energy: 0.6031868713333457
Energy: 0.6034240221571735
Energy: 0.6135897596231388
Energy: 0.6108205833282988
Energy: 0.6124662466815719
Energy: 0.596942975319089
Energy: 0.5991209634533456
Energy: 0.6470810673408086

minimum gb energy = 0.5493236674844704 eV
minimum distance =  2.48530330463097 Angstroms
sigma value = 165


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

Energy: 0.7628497831880858
Energy: 0.638734456733104
Energy: 0.5948063425339007
Energy: 0.6323143062170143
Energy: 0.636689839447442
Energy: 0.720489084659875
Energy: 0.6313499375534382
Energy: 0.598616101613278
Energy: 0.6455799514703265
Energy: 0.6385601850532742
Energy: 0.6291150710794
Energy: 0.6209493865915406
Energy: 0.6379286521185421
Energy: 0.6320327154596713
Energy: 0.6414153834860558
Energy: 0.5976428725664703
Energy: 0.6043997885461063
Energy: 0.6435815230356946
Energy: 0.6562411254562764
Energy: 0.6753716517219472
Energy: 0.6188643024424575
Energy: 0.7326591785175297
Energy: 0.6646302622562953
Energy: 0.6326692820981485
Energy: 0.6394203567653827
Energy: 0.6310606397220581
Energy: 0.6673580009454911
Energy: 0.6764063396347538
Energy: 0.6564215309791539
Energy: 0.6783681253624188
Energy: 0.6390314322978519
Energy: 0.6327967414598124
Energy: 0.6401068194934932
Energy: 0.6230948695358943
Energy: 0.6899555001969166
Energy: 0.6764536929605424
Energy: 0.6428705741584341
Energy: 0.605065167841149
Energy: 0.6239295921890974
Energy: 0.7477780805574303
Energy: 0.658574852675701
Energy: 0.6253193139471337
Energy: 0.6184737377964495
Energy: 0.6171993288155051
Energy: 0.6208884729177604
Energy: 0.6537831124536546
Energy: 0.6263292688222682
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Energy: 0.61944723237093
Energy: 0.6866327438262182
Energy: 0.6242760611595625
Energy: 0.6391353336037705
Energy: 0.586172585892117
Energy: 0.6412793455514333
Energy: 0.6257432916115411
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Energy: 0.5851143862193223
Energy: 0.6414782005311325
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Energy: 0.6622692804467624
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Energy: 0.5931273314138037
Energy: 0.7303948302982703
Energy: 0.6451774909186487
Energy: 0.6863630229526538
Energy: 0.60863054324589
Energy: 0.6201377009168907
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Energy: 0.6432770797581253
Energy: 0.6862025486888224
Energy: 0.6993944264829821
Energy: 0.5846624523760418
Energy: 0.6370992148019046
Energy: 0.5933238988456793
Energy: 0.6821713890817699
Energy: 0.6474348962217119
Energy: 0.6433041146493088
Energy: 0.5617815205169596
Energy: 0.6007378081066571
Energy: 0.677306976622995
Energy: 0.649064979426862
Energy: 0.6354782884245366
Energy: 0.6381453645368814
Energy: 0.6009701536499418
Energy: 0.6509449180535732
Energy: 0.6567509289277619
Energy: 0.6453154706466424
Energy: 0.6376970496049793
Energy: 0.5996840623272519
Energy: 0.6458719689452325
Energy: 0.6641049783969666
Energy: 0.6487626521329036
Energy: 0.6537153026445218
Energy: 0.6829125470575554
Energy: 0.6018360413146403
Energy: 0.6748819111652382
Energy: 0.7660528148696462
Energy: 0.6845965922979184
Energy: 0.6822038171521351
Energy: 0.6191361586915965
Energy: 0.6775372902280372
Energy: 0.7650504882987774
Energy: 0.6611271374799323
Energy: 0.6924297278114431
Energy: 0.623570028489713
Energy: 0.6189172585303153
Energy: 0.6666907874399848
Energy: 0.6518603700693518
Energy: 0.6613936527546138
Energy: 0.6051983990996538
Energy: 0.624266556084642
Energy: 0.7284208164773038
Energy: 0.6965753049457276
Energy: 0.6381655659182297
Energy: 0.6185254128705102
Energy: 0.5995198634294461
Energy: 0.5894741572577324
Energy: 0.6131271813682099
Energy: 0.6379502761141629
Energy: 0.6245584886662442
Energy: 0.6356038986844467
Energy: 0.6001855462473408
Energy: 0.617368820189454
Energy: 0.697795886156087
Energy: 0.6657079089783368
Energy: 0.5856174938648461
Energy: 0.628137311988218
Energy: 0.6257713014801374
Energy: 0.625715900707998
Energy: 0.62882932464888
Energy: 0.5840201557748336
Energy: 0.6297606570310864
Energy: 0.5833582029942144
Energy: 0.6536716520031125
Energy: 0.6568268971911811
Energy: 0.6062123957021284
Energy: 0.6240270550651335
Energy: 0.6614757029921388
Energy: 0.6406103924121995
Energy: 0.6464933566122308
Energy: 0.5971266634351006
Energy: 0.6394044444975933

minimum gb energy = 0.5617815205169596 eV
minimum distance =  2.56733625065796 Angstroms
sigma value = 41


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

Energy: 0.6734033749032313
Energy: 0.5759748990982513
Energy: 0.6189716361195211
Energy: 0.5790438721198194
Energy: 0.5810270838346312
Energy: 0.5814895964182808
Energy: 0.5933055249134197
Energy: 0.6180671895256676
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Energy: 0.6010565765974549
Energy: 0.679320237629237
Energy: 0.5845162227085504
Energy: 0.5716538018291599
Energy: 0.577110797882606
Energy: 0.5728680500248422
Energy: 0.6683494921203622
Energy: 0.5814478041884852
Energy: 0.59894057476014
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Energy: 0.5854022295141824
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Energy: 0.6343337801524905
Energy: 0.5918911438704969
Energy: 0.7113721211844574
Energy: 0.5827155720680187
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Energy: 0.6182455327947448
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Energy: 0.6110758075693524
Energy: 0.5819611043412477
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Energy: 0.5938085728139884
Energy: 0.5660995197530022
Energy: 0.5696494374245049
Energy: 0.5853357705278059
Energy: 0.5971646646166985
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Energy: 0.5865103929102089
Energy: 0.5997007850145142
Energy: 0.6101213060901507
Energy: 0.6018352066438539
Energy: 0.5869842821584283
Energy: 0.5865401028591538
Energy: 0.5897198023160192
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Energy: 0.6404568202368145
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Energy: 0.5862963354024271
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Energy: 0.602254268855564
Energy: 0.6183407645414384
Energy: 0.5836860434616374
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Energy: 0.6670059381782435
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Energy: 0.6019256865895471
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Energy: 0.6349317004840586
Energy: 0.5825914310027981
Energy: 0.5763717886608446
Energy: 0.5839478485626755
Energy: 0.5994403433444901
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Energy: 0.598217026741841
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Energy: 0.6202375580716166
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Energy: 0.5868674807185433
Energy: 0.6167315468092223
Energy: 0.6240719971632213
Energy: 0.5933383578146768
Energy: 0.5878611310970285
Energy: 0.5972507102616667
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Energy: 0.5942865682811432
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Energy: 0.589615214019681
Energy: 0.6087636613064462
Energy: 0.6483715464298566
Energy: 0.5920580709188915
Energy: 0.5908939253038825
Energy: 0.6219500637072221
Energy: 0.6060395993363167
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Energy: 0.6552059949263477
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Energy: 0.6289379362301579
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Energy: 0.5963961698312887
Energy: 0.6346571806958479
Energy: 0.5966468385211029
Energy: 0.629574752695693
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Energy: 0.607087565287001
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Energy: 0.5885165200733852
Energy: 0.5927434807307664
Energy: 0.6262090806148001
Energy: 0.6086894293122818
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Energy: 0.5851638251765225
Energy: 0.6513871341060702
Energy: 0.6089919709797414
Energy: 0.6012520985335623
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Energy: 0.597871194831293
Energy: 0.6516202334974293
Energy: 0.5973495675364768
Energy: 0.6966290697250476
Energy: 0.5423938784847648
Energy: 0.543399510679363
Energy: 0.555324346046215
Energy: 0.6023940697840466
Energy: 0.5803990794263092
Energy: 0.5596139953510841
Energy: 0.5607204149707453
Energy: 0.5635097867746479
Energy: 0.6092709009388279
Energy: 0.6159627510389184
Energy: 0.5641940754970047
Energy: 0.562705245086216
Energy: 0.5894692772089063
Energy: 0.6088791702341445
Energy: 0.610574003813766
Energy: 0.5718090561448232
Energy: 0.56411753720865
Energy: 0.5911786905000395
Energy: 0.5461899859849152
Energy: 0.5974860806877672
Energy: 0.5952039960924898
Energy: 0.6011087928606772
Energy: 0.5416431371730258
Energy: 0.6438645165392745
Energy: 0.5813812958898315
Energy: 0.589379320754306
Energy: 0.5920016417797179
Energy: 0.5664724661296099
Energy: 0.6816556959992005
Energy: 0.5824310512428721
Energy: 0.6114890125424517
Energy: 0.615734385577203
Energy: 0.5900377707742989
Energy: 0.5838431668426067
Energy: 0.5717779719864386
Energy: 0.5977087216004399
Energy: 0.5761969515727654
Energy: 0.604620201728085

minimum gb energy = 0.5416431371730258 eV
minimum distance =  2.5774125635137 Angstroms
sigma value = 185


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

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Energy: 0.4908438380777483
Energy: 0.3792356965136023
Energy: 0.39901116186200264
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Energy: 0.36107034237375313
Energy: 0.40324165741510587
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Energy: 0.4139099312065199
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Energy: 0.37623098646181086
Energy: 0.3574643491170775
Energy: 0.4445111741149294
Energy: 0.40471621936584584
Energy: 0.4100343594918994
Energy: 0.3584896118801143
Energy: 0.3724878526892855
Energy: 0.43119727033501754
Energy: 0.414412585991703
Energy: 0.42182098595469936
Energy: 0.3761422441999508
Energy: 0.4705730682081773
Energy: 0.35806243827078654
Energy: 0.42166249725533156
Energy: 0.42075290429526413
Energy: 0.3726976900635136
Energy: 0.3801327207483511
Energy: 0.3617945151991181
Energy: 0.3789928030223796
Energy: 0.3645508895587947
Energy: 0.3901030131544811
Energy: 0.3650431133466978
Energy: 0.36586544807670107
Energy: 0.3624827862661675
Energy: 0.40820425701925567
Energy: 0.4196342326345163
Energy: 0.37386343758218793
Energy: 0.36131085364589716
Energy: 0.48978050982768856
Energy: 0.37404409372144376
Energy: 0.4181098642661178
Energy: 0.42132715266887755
Energy: 0.38057034488622243
Energy: 0.410657134319237
Energy: 0.4288070179919
Energy: 0.37861370388659593
Energy: 0.4089315066716668
Energy: 0.4953991711902211

minimum gb energy = 0.3506542213261103 eV
minimum distance =  2.62259792081414 Angstroms
sigma value = 33


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

Energy: 0.7114476934916726
Energy: 0.5530187450552444
Energy: 0.5442162611432482
Energy: 0.5117318939535629
Energy: 0.5342839520560843
Energy: 0.6752927583505073
Energy: 0.5361180299105072
Energy: 0.5406436745599899
Energy: 0.5288976836168426
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Energy: 0.5372585600923309
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Energy: 0.5365913733483065
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Energy: 0.557546983279848
Energy: 0.5519572787652706
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Energy: 0.557871355919947
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Energy: 0.5415318645132692
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Energy: 0.5943395297527853
Energy: 0.5832530736665597
Energy: 0.5561112542016248
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Energy: 0.5258879009078256
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Energy: 0.5364290665782715
Energy: 0.5476792411626966

minimum gb energy = 0.504026241196314 eV
minimum distance =  2.51594231121832 Angstroms
sigma value = 219


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

Energy: 0.8371529120413492
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Energy: 0.624690648716963
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Energy: 0.6514413647575851
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Energy: 0.6515989772538803
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Energy: 0.6526506142084275
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Energy: 0.6696822087259401
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Energy: 0.7051035690090771
Energy: 0.6379086876752352
Energy: 0.6028358855386511
Energy: 0.6020713304080885
Energy: 0.6465839966801489

minimum gb energy = 0.5865157317041827 eV
minimum distance =  2.57327446796167 Angstroms
sigma value = 15


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

Energy: 0.9557067363050837
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Energy: 0.6917915153128755
Energy: 0.6340630769469885
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Energy: 0.6543813699255013
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Energy: 0.6325645401610797
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Energy: 0.7124243296221601
Energy: 0.6235604007786287
Energy: 0.7366994241595181
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minimum gb energy = 0.6187401062114458 eV
minimum distance =  2.52374259071542 Angstroms
sigma value = 293


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

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Energy: 0.6174849665229457
Energy: 0.6220535377692756
Energy: 0.6361759911520023
Energy: 0.7066079935863838
Energy: 0.6867285114839276
Energy: 0.617772847107797
Energy: 0.6584891487117044
Energy: 0.5953008621851106
Energy: 0.703367671620955
Energy: 0.6199618821863977
Energy: 0.6530136119022216
Energy: 0.6656158820521005
Energy: 0.5953478327353438
Energy: 0.6719940691722458
Energy: 0.6220720818581064
Energy: 0.6529570510356146
Energy: 0.6655581437883243
Energy: 0.6677411006324859
Energy: 0.6225733654159386
Energy: 0.6525291937807645
Energy: 0.6192969635073438
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Energy: 0.6222583987508462
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Energy: 0.6397026685677769
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Energy: 0.6649582892662042
Energy: 0.6578695222396128
Energy: 0.7212537934317244
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Energy: 0.6402324619353009
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Energy: 0.6540072337868555
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Energy: 0.6397839233812946
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Energy: 0.6895887299616558
Energy: 0.6585843930809304
Energy: 0.6453666774256592
Energy: 0.6516361064120164
Energy: 0.6856710084636468
Energy: 0.680007861571695
Energy: 0.6562767030555867
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Energy: 0.6910978005474084
Energy: 0.6422277032431136
Energy: 0.696923116698967
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Energy: 0.6266557551927413
Energy: 0.6645209679779475
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Energy: 0.667898162036686
Energy: 0.6699741513056666
Energy: 0.6514986266462442
Energy: 0.6628017736278261
Energy: 0.6279270569292424
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Energy: 0.6662494834497159
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Energy: 0.652726762699839
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Energy: 0.6669223339513912
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Energy: 0.6299371843126904
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Energy: 0.6989351833792815
Energy: 0.6764921896581697
Energy: 0.6451088274983682
Energy: 0.6166708591255932
Energy: 0.6485899526224214
Energy: 0.6942555188913762
Energy: 0.6756823837027914
Energy: 0.655928939688879
Energy: 0.6806136021354113
Energy: 0.6441209365647879
Energy: 0.6700836648879092
Energy: 0.6317242855608339
Energy: 0.65284964793288
Energy: 0.6931675272285956
Energy: 0.6833837016645742
Energy: 0.6765145144487297
Energy: 0.6276840683011129
Energy: 0.6526625461349584
Energy: 0.6559840951429456
Energy: 0.6376914990097617
Energy: 0.6877265858927881
Energy: 0.7014722587239571
Energy: 0.6418479437825505
Energy: 0.6540365667014392
Energy: 0.6399773680528014
Energy: 0.6684171712216102
Energy: 0.6997527868619948
Energy: 0.6112751170404416
Energy: 0.6574802801895981
Energy: 0.6381656716593791
Energy: 0.6544218588595744
Energy: 0.695444325026434
Energy: 0.64624559284406
Energy: 0.6558825034398036
Energy: 0.6370513737240497
Energy: 0.6565051302200718
Energy: 0.7099992392143795
Energy: 0.6373078402050428
Energy: 0.6717215488241141
Energy: 0.6659016535859128
Energy: 0.687483106213406
Energy: 0.6792902434800504
Energy: 0.6782172615087543
Energy: 0.6845282890325317
Energy: 0.6684262751350637
Energy: 0.6723964452859451
Energy: 0.6892916379732853
Energy: 0.6666322560103554
Energy: 0.6698870164037828
Energy: 0.6678435572384833
Energy: 0.6598802652310697
Energy: 0.6688770567082666
Energy: 0.6765616749681513
Energy: 0.6674267243809214
Energy: 0.6696629357378162
Energy: 0.7111030698187348
Energy: 0.6723135609278758
Energy: 0.706204657376975
Energy: 0.6998765930434799
Energy: 0.6718633359118626
Energy: 0.6356387178986835
Energy: 0.6474591990165895
Energy: 0.6793871351479468
Energy: 0.6299831788849545
Energy: 0.6689466326035807
Energy: 0.6379236126267653
Energy: 0.6379994944657723
Energy: 0.6877073962442759
Energy: 0.6406346035777764
Energy: 0.653490887704963
Energy: 0.6888125994675117
Energy: 0.6111064694965912
Energy: 0.6234035470383933
Energy: 0.5951632601924329
Energy: 0.67496842774781
Energy: 0.6871895502689918
Energy: 0.6387907518483693
Energy: 0.6108723395583199

minimum gb energy = 0.5947134859235262 eV
minimum distance =  2.54504853194093 Angstroms
sigma value = 293


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

Energy: 0.5606466461546928
Energy: 0.5606705294850927
Energy: 0.6184592862496001
Energy: 0.6641656334579691
Energy: 0.5606424297992723
Energy: 0.5612052187449843
Energy: 0.5707555268516172
Energy: 0.6187562201109521
Energy: 0.6641586194761327
Energy: 0.56091392437895
Energy: 0.5756764569988299
Energy: 0.5701415213992764
Energy: 0.5716195590103341
Energy: 0.5707838581374493
Energy: 0.5712189988752674
Energy: 0.5977494305770583
Energy: 0.5705286666242652
Energy: 0.5609661155674762
Energy: 0.6652615935006241
Energy: 0.5707651433568338
Energy: 0.5700514091878176
Energy: 0.6634236573045442
Energy: 0.5701083126215372
Energy: 0.6185277595431304
Energy: 0.5961535578675561
Energy: 0.572424786677106
Energy: 0.6630931514016095
Energy: 0.5698027686429574
Energy: 0.618753641301442
Energy: 0.5949218608593967
Energy: 0.6196017052644247
Energy: 0.5609466573213808
Energy: 0.560953748896796
Energy: 0.5719475448758152
Energy: 0.5952773911812872
Energy: 0.6189953973058718
Energy: 0.5611257902219722
Energy: 0.5609307436926417
Energy: 0.5723029993564502
Energy: 0.5651384092393269
Energy: 0.6638921602392341
Energy: 0.5607586918520645
Energy: 0.5606833821418764
Energy: 0.5960503840740602
Energy: 0.5699384315662364
Energy: 0.6653667410627223
Energy: 0.560900278414151
Energy: 0.5607569169459226
Energy: 0.5972864782446876
Energy: 0.5694061560910547
Energy: 0.570484009183296
Energy: 0.6188582288450701
Energy: 0.6640364241115247
Energy: 0.5703366875429596
Energy: 0.5610736477262609
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Energy: 0.6186501456345215
Energy: 0.6640523941559331
Energy: 0.5703337097120832
Energy: 0.562118547083833
Energy: 0.5698234988056036
Energy: 0.5667059439708728
Energy: 0.5715801709784214
Energy: 0.5698762644323087
Energy: 0.5969532710720468
Energy: 0.5698237534146883
Energy: 0.5656372421289215
Energy: 0.5722220235547162
Energy: 0.5696863989515633
Energy: 0.5958930705403617
Energy: 0.6170258221262973
Energy: 0.5966116213516857
Energy: 0.569554207410787
Energy: 0.5606374463046522
Energy: 0.5608553046509257
Energy: 0.5692818198460408
Energy: 0.6913337322717356
Energy: 0.569696257685357
Energy: 0.5605626798251361
Energy: 0.5607981653949707
Energy: 0.5697787101931628
Energy: 0.5607986194187446
Energy: 0.5706040940274996
Energy: 0.5609404938344669
Energy: 0.5978586098200692
Energy: 0.5699033069594173
Energy: 0.5712008288192179
Energy: 0.5713194852552341
Energy: 0.5609392798899207
Energy: 0.5951781646260509
Energy: 0.5705623955571618
Energy: 0.5701798953641481
Energy: 0.6914313861448467
Energy: 0.5698154394696157
Energy: 0.6635633629241986
Energy: 0.5703300299039904
Energy: 0.5702030281653827
Energy: 0.6906203986263784
Energy: 0.5701543573204461
Energy: 0.6637150509395725
Energy: 0.5609763680324203
Energy: 0.5707983480641866
Energy: 0.5709071168794879
Energy: 0.5698672270145424
Energy: 0.5957988966102702
Energy: 0.5608631740671203
Energy: 0.5705295811584553
Energy: 0.5657739629773865
Energy: 0.5697593056176428
Energy: 0.5961586833238938
Energy: 0.560763861319082
Energy: 0.5706968538851606
Energy: 0.6183652966574775
Energy: 0.6640712136559449
Energy: 0.5607022507737841
Energy: 0.56133194571053
Energy: 0.5694428892659893
Energy: 0.6186168024485872
Energy: 0.6641555182893878
Energy: 0.5608957419599204
Energy: 0.5954472013851264
Energy: 0.5701107079380445
Energy: 0.5710962709475914
Energy: 0.5706599851187331
Energy: 0.5712257576654658
Energy: 0.5966548351719764
Energy: 0.5703202848078112
Energy: 0.56094309670788
Energy: 0.6654913652325435
Energy: 0.5705689239302978
Energy: 0.5701502509866877
Energy: 0.663784329415771
Energy: 0.5701612024947044
Energy: 0.6184372404389333
Energy: 0.5958124289600939
Energy: 0.5719028354571072
Energy: 0.6635026807214495
Energy: 0.5698240953735982
Energy: 0.6189711896960158
Energy: 0.5950847243402454
Energy: 0.6195553304962137
Energy: 0.5607906448575671
Energy: 0.561031995905885
Energy: 0.5718918151985084
Energy: 0.5953879317349711
Energy: 0.6193328109148947
Energy: 0.5610217646619221
Energy: 0.5610362260798719
Energy: 0.5723897131446851
Energy: 0.5964855944168872
Energy: 0.6642662515707319
Energy: 0.5607934227036331
Energy: 0.560664051358186
Energy: 0.5978068702569699
Energy: 0.5701054812768167
Energy: 0.6646311459020653
Energy: 0.5609406761606041
Energy: 0.5606820082035698
Energy: 0.5712799696149047
Energy: 0.5694731104299826
Energy: 0.5700560160095481
Energy: 0.6191758921613505
Energy: 0.6640593076380245
Energy: 0.5713494015880135
Energy: 0.5609527967239434
Energy: 0.6636142109297154
Energy: 0.6187972484506494
Energy: 0.6640600148061847
Energy: 0.5704478887389277
Energy: 0.5617229401713205
Energy: 0.5694846037448534
Energy: 0.5666320121813923
Energy: 0.571306411489026
Energy: 0.5699653088977358
Energy: 0.5967351640328278
Energy: 0.5696459657406898
Energy: 0.5656284722132076
Energy: 0.569692284214413
Energy: 0.5700047816318262
Energy: 0.597130952136347
Energy: 0.6151056763411795
Energy: 0.5966528331307579
Energy: 0.5697055210366446
Energy: 0.5606161771861237
Energy: 0.5609126287123959
Energy: 0.5692039287655518
Energy: 0.5961639749623865
Energy: 0.5697062976930143
Energy: 0.5606156559761364
Energy: 0.5608376616772343
Energy: 0.5698216464540523
Energy: 0.560849707349017
Energy: 0.5709337462619102
Energy: 0.5610287673195086
Energy: 0.5955618199652796
Energy: 0.570184976534928
Energy: 0.5709710169079288
Energy: 0.5712942499546468
Energy: 0.5609707284228759
Energy: 0.5698126797413873
Energy: 0.5706573244167709
Energy: 0.5701666067499579
Energy: 0.6917252820440634
Energy: 0.5700523878543401
Energy: 0.6640029936903736
Energy: 0.5695614858199809
Energy: 0.5701484759936724
Energy: 0.6905831916075349
Energy: 0.5701084977219804
Energy: 0.6636906967271429
Energy: 0.560889824063522
Energy: 0.5704203084771936
Energy: 0.5708414976769567
Energy: 0.6187184117102246
Energy: 0.5952315796014962
Energy: 0.5609838701530749
Energy: 0.5704448896170103
Energy: 0.5656055295649832
Energy: 0.5698737513647287
Energy: 0.5965165223238356

minimum gb energy = 0.5605626798251361 eV
minimum distance =  2.57786910429532 Angstroms
sigma value = 15


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

Energy: 1.069295658671583
Energy: 0.6193199930409039
Energy: 0.6351494677011037
Energy: 0.6674846135418013
Energy: 0.6188560408082119
Energy: 0.6260016094446378
Energy: 0.5971790753350551
Energy: 0.6911660710518109
Energy: 0.6721326099952423
Energy: 0.5988989694957939
Energy: 0.602494310270626
Energy: 0.6241940803157215
Energy: 0.6356483387262953
Energy: 0.638215488192447
Energy: 0.6478643579826036
Energy: 0.5971978922964986
Energy: 0.648312811633744
Energy: 0.6352251787321522
Energy: 0.6363029034155369
Energy: 0.6171233456108054
Energy: 0.668155507810275
Energy: 0.6868843022762606
Energy: 0.615087696697981
Energy: 0.645458233070115
Energy: 0.6913463415825546
Energy: 0.6708677790532629
Energy: 0.6727211319679793
Energy: 0.6049401559449914
Energy: 0.6340269461842931
Energy: 0.684521823932592
Energy: 0.680051400110068
Energy: 0.6401575701728363
Energy: 0.6178722472867315
Energy: 0.6814180995085981
Energy: 0.6897378097784113
Energy: 0.688144063631637
Energy: 0.6372104578376377
Energy: 0.6722193806492891
Energy: 0.6683300537471396
Energy: 0.686964291950638
Energy: 0.6063597748563081
Energy: 0.6126375692901106
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Energy: 0.6116344591922208
Energy: 0.5983816686230852
Energy: 0.6110132633021784
Energy: 0.6660617238691291
Energy: 0.6180472484994404
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Energy: 0.5982960946996245
Energy: 0.7092303371334728
Energy: 0.6046795946867765
Energy: 0.6126605673362657
Energy: 0.670623337190842
Energy: 0.7473758609413641
Energy: 0.6761155377797211
Energy: 0.6048567252596354
Energy: 0.6475037467090525
Energy: 0.6815991473969765
Energy: 0.7478678699949899
Energy: 0.6184630585837223
Energy: 0.6051247020885067
Energy: 0.6379480601513751
Energy: 0.6358473028054021
Energy: 0.6474671213140721
Energy: 0.6158630863827953
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Energy: 0.6354543983964703
Energy: 0.6485907805406701
Energy: 0.6392545815084716
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Energy: 0.6062789425161266
Energy: 0.6292177014190662
Energy: 0.644727792825936
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Energy: 0.6152049912463238
Energy: 0.6044998959038284
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Energy: 0.6450564455688442
Energy: 0.6253035324624927
Energy: 0.632573696597604
Energy: 0.7536332139715253
Energy: 0.6870859096687739
Energy: 0.6221184295586559
Energy: 0.6344995142331673
Energy: 0.6326365829440419
Energy: 0.6883412562039715
Energy: 0.6880182761111223
Energy: 0.6152492468121412
Energy: 0.6056657279006056
Energy: 0.6608363256315952
Energy: 0.6555410979565872
Energy: 0.6199706062160851
Energy: 0.6178093836799932
Energy: 0.6146851228586651
Energy: 0.6118036837791119
Energy: 0.6505570954021578
Energy: 0.618922115232668
Energy: 0.620716667778055
Energy: 0.6195165816147239
Energy: 0.6354056237577492
Energy: 0.6795439491161815
Energy: 0.6130782209901185
Energy: 0.6219005656537755
Energy: 0.6188164744991331
Energy: 0.6368568410543698
Energy: 0.6371435853221448
Energy: 0.6216704305945769
Energy: 0.6216182070876198
Energy: 0.618374378543537
Energy: 0.6967900952660522
Energy: 0.6381386508428886
Energy: 0.6041358461241831
Energy: 0.6009669890236041
Energy: 0.6945734246707045
Energy: 0.6972005049062077
Energy: 0.647215959388839
Energy: 0.6226135072596882
Energy: 0.6011207904020346
Energy: 0.627991945451084
Energy: 0.6740772057516728
Energy: 0.6032742671570844
Energy: 0.6040423392041537
Energy: 0.598072836694748
Energy: 0.7371208335566821
Energy: 0.6746586827836613
Energy: 0.6067794856612198
Energy: 0.6405012912263877
Energy: 0.6238339132109564
Energy: 0.6734672997721178
Energy: 0.632258741831109
Energy: 0.6645813346828345
Energy: 0.601170970146148
Energy: 0.6844846993992937
Energy: 0.628607082190481
Energy: 0.6326745082131141
Energy: 0.6440540602551774
Energy: 0.596364079643474
Energy: 0.688922490877252
Energy: 0.6299529176731868
Energy: 0.6032305391173124
Energy: 0.6443634484162067
Energy: 0.6007934503556129
Energy: 0.6389678367195379
Energy: 0.6143084841746054
Energy: 0.6105414058501639
Energy: 0.6853877809310945
Energy: 0.6007202947971271
Energy: 0.6396235455351965
Energy: 0.6226658978696638
Energy: 0.702883864870463
Energy: 0.7089660712338257
Energy: 0.6956246824871459
Energy: 0.7171848878926774
Energy: 0.6012354669809291
Energy: 0.6871052812324113
Energy: 0.6955890385177109
Energy: 0.6956650309889256
Energy: 0.6672921380139252
Energy: 0.5979238457551487
Energy: 0.5970776009739178
Energy: 0.6086640442173428
Energy: 0.6695049034015979
Energy: 0.6384288407807418
Energy: 0.9287534018501497
Energy: 0.5970135084627078
Energy: 0.6147187012257949
Energy: 0.665053202513513
Energy: 0.6477360043283886
Energy: 0.6819923281126443
Energy: 0.7160105307850241
Energy: 0.7056632604233124
Energy: 0.7159665976206081
Energy: 0.6402779499136375
Energy: 0.6119036768873863
Energy: 0.6391542816882108
Energy: 0.6912724151938743
Energy: 0.6895611053477592
Energy: 0.605610164495862
Energy: 0.6104515290427667
Energy: 0.6477954347948282
Energy: 0.6587525219291389
Energy: 0.634210182065091
Energy: 0.6134711661709266
Energy: 0.6062365050140696
Energy: 0.6544851581647626
Energy: 0.6637834690515636
Energy: 0.6350045096322753
Energy: 0.6112036362397438
Energy: 0.6057903446924641
Energy: 0.6405306770487306
Energy: 0.6190013745766967
Energy: 0.7162892354653786
Energy: 0.6083317674341728
Energy: 0.6061771821944625
Energy: 0.5999688857896576
Energy: 0.6398294905476276
Energy: 0.7011061470910105
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Energy: 0.6063988606887775
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Energy: 0.6319822139620214
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Energy: 0.6213775524803885
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Energy: 0.7010015495687267
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Energy: 0.67288260514476
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Energy: 0.6008313612851003
Energy: 0.6285470264547749
Energy: 0.6980398945576874
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Energy: 0.6371922333154094
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Energy: 0.6768700819230103
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Energy: 0.6307553173946302
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Energy: 0.6388950738735604
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Energy: 0.6004763154225061
Energy: 0.607232308464022
Energy: 0.640205887168394
Energy: 0.6177686209455838
Energy: 0.6453014321132955
Energy: 0.600619478752505
Energy: 0.6069829411370135
Energy: 0.6405595878996604
Energy: 0.6623262871954668
Energy: 0.6943352821445823
Energy: 0.693112750563706
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Energy: 0.6798483957341374
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Energy: 0.6936923249634926
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Energy: 0.5970218056378547
Energy: 0.6381360488329599
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Energy: 0.6913955004677007
Energy: 0.7145543388640736
Energy: 0.6893511968821071
Energy: 0.6859121739654401
Energy: 0.6107550916737444
Energy: 0.6833395059371831
Energy: 0.702606036222742
Energy: 0.6921173554584663
Energy: 0.6372504312922854
Energy: 0.6079363694447408
Energy: 0.6921573585842217
Energy: 0.626137316230647
Energy: 0.6098765771253106
Energy: 0.6051396443047364
Energy: 0.6049984464267165
Energy: 0.6157462447509525
Energy: 0.6217397631226145
Energy: 0.6163182867160208
Energy: 0.6042893806182663
Energy: 0.611447079400314
Energy: 0.6069613101892513
Energy: 0.6218692749972244
Energy: 0.670533313892214
Energy: 0.6072316902793481
Energy: 0.605344937557917
Energy: 0.6067100247471692
Energy: 0.6218688199844725
Energy: 0.6393049295435214
Energy: 0.6074504845521076
Energy: 0.6059285411556249
Energy: 0.6988471344233782
Energy: 0.6407867718935258
Energy: 0.6150635447298093
Energy: 0.6457479527593661
Energy: 0.63439247598678
Energy: 0.6502528133023731
Energy: 0.641377176436005
Energy: 0.6085903924572597
Energy: 0.6812328607945014
Energy: 0.647079947374116
Energy: 0.6076723242263125
Energy: 0.6073637636437268
Energy: 0.6109672724071
Energy: 0.7515391052718006
Energy: 0.5991786376732853
Energy: 0.5968925453732201
Energy: 0.5965578914351849
Energy: 0.6857576996929168
Energy: 0.7495929131181759
Energy: 0.5991698716471278
Energy: 0.6077526261332813
Energy: 0.6116800575699884
Energy: 0.6092833132946155
Energy: 0.6065564625534252
Energy: 0.6425017670595575
Energy: 0.6193035897751465
Energy: 0.6219358724688364
Energy: 0.696812022581626
Energy: 0.6072859578204876
Energy: 0.6465525432907124
Energy: 0.6228944289192954
Energy: 0.5970102834322266
Energy: 0.7023563952453813
Energy: 0.7050888678077482
Energy: 0.6371164061983805
Energy: 0.6045455147626803
Energy: 0.5979607568711884
Energy: 0.7011988922083853
Energy: 0.6432943282013948
Energy: 0.6633010140913811
Energy: 0.6469178560729424
Energy: 0.7014698249700982
Energy: 0.6052679719104943
Energy: 0.6340248571493161
Energy: 0.5941485358561649
Energy: 0.6382111050891578
Energy: 0.6818264697388509
Energy: 0.6372046438082899
Energy: 0.6205024468108802
Energy: 0.618406994566989

minimum gb energy = 0.591592840938902 eV
minimum distance =  2.54300958116103 Angstroms
sigma value = 437


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

Energy: 0.8066962804907345
Energy: 0.5840836692152378
Energy: 0.6473785411639877
Energy: 0.6415235940286991
Energy: 0.5823210310470569
Energy: 0.8072354169740434
Energy: 0.5774469275593485
Energy: 0.6375190452632649
Energy: 0.570093214526881
Energy: 0.6875662762509884
Energy: 0.5628537320147258
Energy: 0.6779100684785143
Energy: 0.6815876268705561
Energy: 0.6883614184093683
Energy: 0.6775163059011535
Energy: 0.5680943610506142
Energy: 0.686944290403223
Energy: 0.6759098291872612
Energy: 0.6389697602626075
Energy: 0.6292163843153451
Energy: 0.6301444394399842
Energy: 0.6251312368116876
Energy: 0.7504279102910856
Energy: 0.6141017734979202
Energy: 0.6225957689913404
Energy: 0.6304329252408479
Energy: 0.625136605736456
Energy: 0.7505849022272865
Energy: 0.6135256393963527
Energy: 0.6228786494634114
Energy: 0.6125046503105338
Energy: 0.5800853944630188
Energy: 0.735846910821608
Energy: 0.5692130570443128
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Energy: 0.5700715107206491
Energy: 0.6734784881996155
Energy: 0.5676225867129949
Energy: 0.6282235648914214
Energy: 0.6332729474344156
Energy: 0.7539129280210173
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Energy: 0.7602992640014729
Energy: 0.6103216464944065
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Energy: 0.6344542915665455
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Energy: 0.6438658661693225
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Energy: 0.6341985239646631
Energy: 0.8076821527067547
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Energy: 0.6330922310530784
Energy: 0.6191585529463889
Energy: 0.628621823055491
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Energy: 0.6207690216168401
Energy: 0.6320614354663905
Energy: 0.6306579567131021
Energy: 0.6090915425641078
Energy: 0.6231886099989921
Energy: 0.6267005034832914
Energy: 0.6333655768171378
Energy: 0.608141508964055
Energy: 0.7492634749403183
Energy: 0.7429207486728651
Energy: 0.6264998472845806
Energy: 0.6331077753564157
Energy: 0.6086331924341359
Energy: 0.7425187795013906
Energy: 0.6859157458657399
Energy: 0.5789518991543913
Energy: 0.7461789910552856
Energy: 0.5765412649263902
Energy: 0.7563591100049237
Energy: 0.6137545331354134
Energy: 0.5971279323180494
Energy: 0.7458295853831698
Energy: 0.575326933528673
Energy: 0.7540991876074242
Energy: 0.6116784701843812
Energy: 0.6170077880952339
Energy: 0.6446830988642233
Energy: 0.5704248732785623
Energy: 0.5646015630611019
Energy: 0.6888283353081726
Energy: 0.5666450001423774
Energy: 0.6093389923737624
Energy: 0.5721690074872983
Energy: 0.5655072955682481
Energy: 0.680286366571008
Energy: 0.5691082842701184
Energy: 0.5680367928514409
Energy: 0.5674588319537007
Energy: 0.811674952501825
Energy: 0.5717914955932089
Energy: 0.5685314566964282
Energy: 0.5676914675532418
Energy: 0.5682072181868355
Energy: 0.8118418934774985
Energy: 0.6131028210711383
Energy: 0.5732137959291541
Energy: 0.5751249611194716
Energy: 0.5736122868740414
Energy: 0.6553650070728445
Energy: 0.5713616816927822
Energy: 0.5726140593547124
Energy: 0.5739719673994653
Energy: 0.6149261963290308
Energy: 0.6872813679084019
Energy: 0.571316485511641
Energy: 0.5695185865781542
Energy: 0.5702082904294434
Energy: 0.7533468844469077
Energy: 0.7562232962229917
Energy: 0.6261830961300374
Energy: 0.5698436182051845
Energy: 0.5706976888466229
Energy: 0.7425696747506839
Energy: 0.638631525396864
Energy: 0.6267236230536133
Energy: 0.6744397018926191
Energy: 0.5711160781218374
Energy: 0.7394718187925615
Energy: 0.5725182515252359
Energy: 0.5810677860794945
Energy: 0.674974468986322
Energy: 0.5759333787509914
Energy: 0.739445726149828
Energy: 0.571962699707263
Energy: 0.6421168042607662

minimum gb energy = 0.5628537320147258 eV
minimum distance =  2.60767010175416 Angstroms
sigma value = 33