Model name: model_name=MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_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=4.0499990060925475
cohesive_energy=3.360264284479465
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=[1.73023861235562e-19, 2.37559536053082e-19, 2.85817096269162e-19, 3.2434303561032597e-19, 3.5623916803999796e-19, 3.8321661820328993e-19, 4.06348844444982e-19, 4.2635682625037395e-19, 4.43764475378784e-19, 4.58956314222372e-19, 4.72230347635062e-19, 4.838252999353199e-19, 4.93930227965958e-19, 5.02700542860474e-19, 5.1026922527949e-19, 5.16746825410752e-19, 5.22224667322398e-19, 5.267860641993959e-19, 5.30501511813642e-19, 5.33433495053862e-19, 5.356364879256119e-19, 5.37158555727912e-19, 5.38044559406514e-19, 5.38331349024e-19, 5.38022128933638e-19, 5.37019166360754e-19, 5.35187878468092e-19, 5.3237125194552e-19, 5.28372219067056e-19, 5.2295846422077e-19, 5.15838391259274e-19, 5.066611234997219e-19, 4.949876645443979e-19, 4.8026846780784e-19, 4.618161995140619e-19, 4.38757673397534e-19, 4.099777745209919e-19, 3.7403454391383596e-19, 3.29040617501214e-19, 2.72503008440622e-19, 2.01077974096902e-19, 1.1020748216398739e-19, -6.420130055400419e-21, -1.577169861096528e-19, -3.56562807720066e-19, -6.221476174550759e-19, -9.8412097566816e-19, -1.489769523535194e-18, -2.2170920261291998e-18, -3.29929825533084e-18, -4.97140989940494e-18, -7.658308179921959e-18, -1.2124199307767219e-17, -1.9600227852039e-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: 0.011682391237989547
Energy: 0.012266273889604409
Energy: 0.06268679946878838
Energy: 0.0628375914683398
Energy: 0.012281991802180382
Energy: 0.01260399444653663
Energy: 0.06323981976915706
Energy: 0.06278240996036455
Energy: 0.06269526017144865
Energy: 0.012145248814705006
Energy: 0.012517856648178201
Energy: 0.2612067372600152
Energy: 0.06370005595014366
Energy: 0.06268368163813438
Energy: 0.06264407049526673
Energy: 0.0627857105178984
Energy: 0.26133319643513114
Energy: 0.0636071343064088
Energy: 0.06268204331128173
Energy: 0.06280698554235177
Energy: 0.06283720960137072
Energy: 0.012166729064279635
Energy: 0.011989006714967883
Energy: 0.06382337816468509
Energy: 0.06260877811097601
Energy: 0.06279621094264785
Energy: 0.012232728374924864
Energy: 0.0119987792378474
Energy: 0.06293926603753731
Energy: 0.06273290361675764
Energy: 0.06264849459639894
Energy: 0.012147545427091525
Energy: 0.012281333180515898
Energy: 0.26346835137276436
Energy: 0.06285054283675202
Energy: 0.06265851341661911
Energy: 0.012197113532670742
Energy: 0.012200946183400448
Energy: 0.2622684286750492
Energy: 0.06272495755574863
Energy: 0.0627685897698733
Energy: 0.06280487961595849
Energy: 0.06269977439448118
Energy: 0.012129302067875871
Energy: 0.012292068676492518
Energy: 0.06263634173157737
Energy: 0.0627901974780472
Energy: 0.06276848005984481
Energy: 0.012118476657194845
Energy: 0.2614862740466044
Energy: 0.06270617508241606
Energy: 0.06261554657572005
Energy: 0.06297868693646981
Energy: 0.01203977349685032
Energy: 0.012189440252545727
Energy: 0.06263894735183419
Energy: 0.5304432936352398
Energy: 0.06286454684082853
Energy: 0.012031798084717974
Energy: 0.012267503599987385
Energy: 0.01229004785527236
Energy: 0.06246696409761491
Energy: 0.06273800848556792
Energy: 0.06468208053531592
Energy: 0.06250636999926408
Energy: 0.012212776255227348
Energy: 0.0625058083051372
Energy: 0.06271223772565855
Energy: 0.06351923690086343
Energy: 0.06264489252622069

minimum gb energy = 0.011682391237989547 eV
minimum distance =  2.82965931406303 Angstroms
sigma value = 3


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

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Energy: 0.7450060273945157
Energy: 0.6218701879485466
Energy: 0.6236955517329634
Energy: 0.7543542534125406
Energy: 0.6679237539598075
Energy: 0.6718216947463319
Energy: 0.6227495890320783
Energy: 0.6271682886817393
Energy: 0.6426234149402466
Energy: 0.5503167500726976
Energy: 0.6962373823320406
Energy: 0.6245478749481163
Energy: 0.5702515176055326
Energy: 0.6273513621070458
Energy: 0.6229337213939312
Energy: 0.6779952527823768
Energy: 0.6257377880151729
Energy: 0.5706768149857492
Energy: 0.63217140005903
Energy: 0.6546730332642118
Energy: 0.7284349521829949
Energy: 0.6318789391745648
Energy: 0.6253542945395294
Energy: 0.5943635625269226
Energy: 0.6277201812051567
Energy: 0.7556896231316153
Energy: 0.6034536105730657
Energy: 0.6596650339590807
Energy: 0.620303339399406
Energy: 0.6341970733209145
Energy: 0.6191877114584955
Energy: 0.6353066560814592
Energy: 0.6300677803775097
Energy: 0.6245916624058294
Energy: 0.6327574041708648
Energy: 0.6781925239527068
Energy: 0.6346819487823383
Energy: 0.6519387532468652
Energy: 0.6190610149979858
Energy: 0.6115357148556337
Energy: 0.6684187722860502
Energy: 0.6847850486643202
Energy: 0.6297470739802667
Energy: 0.6281087146244315
Energy: 0.5918654623204804
Energy: 0.6666879819263003
Energy: 0.7453241336801035
Energy: 0.6260700352002704
Energy: 0.6273635506524636
Energy: 0.6873066413723593
Energy: 0.6964437029802849
Energy: 0.6305688571743296
Energy: 0.6001328583155486
Energy: 0.7423295412497947
Energy: 0.672232696145727
Energy: 0.6981849794987853
Energy: 0.6312941959150261
Energy: 0.5990652153151566
Energy: 0.7426750604128913
Energy: 0.6221203706842174
Energy: 0.6848454783644097
Energy: 0.6283234534819239
Energy: 0.7005867780335694
Energy: 0.5719977072064714
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Energy: 0.7000303984541284
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Energy: 0.6221457744375697
Energy: 0.6199084439973701
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Energy: 0.5322223978502025
Energy: 0.5312199663418615
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Energy: 0.6690427438154618
Energy: 0.6715676979687527
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Energy: 0.619564257777943
Energy: 0.6191979677931241
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Energy: 0.6996452191138484
Energy: 0.701156932274619
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Energy: 0.6272361051790668
Energy: 0.6260776629057653
Energy: 0.6228450871000867
Energy: 0.6922350346778587
Energy: 0.7137640056020836
Energy: 0.6685051590877952
Energy: 0.5671610861312769
Energy: 0.6229373940803282
Energy: 0.625106786843561
Energy: 0.7561962002507708
Energy: 0.6689889982090944
Energy: 0.6660341313459193
Energy: 0.6238141112188377
Energy: 0.627924515668803
Energy: 0.7565750615487614
Energy: 0.5316971588600438
Energy: 0.7409199249884719
Energy: 0.6248678805022958
Energy: 0.5736277439741452
Energy: 0.6273237324874366
Energy: 0.5318332781264499
Energy: 0.6861272486035107
Energy: 0.6243428643746107
Energy: 0.5728266495633907
Energy: 0.6474757628986822
Energy: 0.6324636638616903
Energy: 0.7279731914447959
Energy: 0.6042932489707693
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Energy: 0.6043984603552864
Energy: 0.6303326044144405
Energy: 0.7552269182926608
Energy: 0.604876634593313
Energy: 0.6332468876024441
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Energy: 0.6120043721647332
Energy: 0.6340700487495013
Energy: 0.6436707454570603
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Energy: 0.6450266532745892
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Energy: 0.7383401521564724
Energy: 0.6318316932975344
Energy: 0.5404976749700472
Energy: 0.6080788875958028
Energy: 0.6447017091104749
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Energy: 0.6268312329240939
Energy: 0.6011309785562196
Energy: 0.6453938058673833
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Energy: 0.6950288181507257
Energy: 0.6280315847591615
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Energy: 0.6968300000514775
Energy: 0.6409828025819163
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Energy: 0.7449318877042842
Energy: 0.6234392191729362
Energy: 0.6416767985464056
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Energy: 0.6981668820386272
Energy: 0.6232270052507264
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Energy: 0.6187374857775891
Energy: 0.6328883045990271
Energy: 0.6935983703944236
Energy: 0.6226926406164671
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Energy: 0.6702365144109735
Energy: 0.7551033916188241
Energy: 0.5404531571585935
Energy: 0.670410794395539
Energy: 0.6201525020326745
Energy: 0.6692222548528851
Energy: 0.7581433817688565
Energy: 0.5329509878219847
Energy: 0.6195166850848502
Energy: 0.6196735812949418
Energy: 0.5722707106203186
Energy: 0.5375410026656443
Energy: 0.6686802250189356
Energy: 0.6717945402557393
Energy: 0.6258802312495668
Energy: 0.572250487615424
Energy: 0.5354131742950478
Energy: 0.7097577845546841
Energy: 0.6725522508604274
Energy: 0.5808274545112485
Energy: 0.5809172990407546
Energy: 0.6066215356442355
Energy: 0.6280513133014427
Energy: 0.6310591598028892
Energy: 0.5843637784509188
Energy: 0.6573317854643814
Energy: 0.6250304505299851
Energy: 0.6270453032590739
Energy: 0.638153163216973
Energy: 0.6272773479511095
Energy: 0.630896228644316
Energy: 0.6022190944228095
Energy: 0.6375763443115077
Energy: 0.6320147684800186
Energy: 0.6318306801839157
Energy: 0.6315340888061305
Energy: 0.6303808805718225
Energy: 0.5862928184271962
Energy: 0.6310087532380264
Energy: 0.680800450768623
Energy: 0.6251237784170741
Energy: 0.6599306567811808
Energy: 0.6464682732906509
Energy: 0.6712216782342862
Energy: 0.7559114527401025
Energy: 0.5999415604156266
Energy: 0.6550920564698803
Energy: 0.6465348308266783
Energy: 0.6806771898985068
Energy: 0.6488720366710096
Energy: 0.6108997473098935
Energy: 0.7632420818890987
Energy: 0.6962997856274077
Energy: 0.6821838419030548
Energy: 0.6247787872693567
Energy: 0.7255909467985472
Energy: 0.7382622368621536
Energy: 0.6946762597180344
Energy: 0.7094615078469232
Energy: 0.6523060918448433
Energy: 0.6299005296205595
Energy: 0.6209965882312329
Energy: 0.7519944153201005
Energy: 0.6780591414111288
Energy: 0.7023134040821105
Energy: 0.6268464108649529
Energy: 0.6216180170768099
Energy: 0.7574228473540969
Energy: 0.7010597337193251
Energy: 0.6966540710676948
Energy: 0.5661364539926
Energy: 0.6216773613098613
Energy: 0.6235659817865293
Energy: 0.7531930750578821
Energy: 0.6705911661531219
Energy: 0.5699747709474636
Energy: 0.6221330417816109
Energy: 0.6174582854490892
Energy: 0.745556114094331

minimum gb energy = 0.5312199663418615 eV
minimum distance =  2.50191796465914 Angstroms
sigma value = 75


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

Energy: 1.0698552119592195
Energy: 0.602452771861729
Energy: 0.6233518347881384
Energy: 0.636114771173945
Energy: 0.7677715517830237
Energy: 1.0036403646863308
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Energy: 0.6310000024866541
Energy: 0.6450739584025896
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Energy: 0.6423261551301503
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Energy: 0.6443986891381456
Energy: 0.6669688832358469
Energy: 0.8071871998111048
Energy: 0.8106392768671412
Energy: 0.6217826768220405
Energy: 0.6393019924360511
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Energy: 0.6265313935099831
Energy: 0.6199859048371454
Energy: 0.6276458421437019
Energy: 0.6491977739475631
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Energy: 0.6057608053877452
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Energy: 0.6353358840726966
Energy: 0.5979343288923322
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Energy: 0.643440610570406
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Energy: 0.6251260467394752
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Energy: 0.6093796113417357
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Energy: 0.6084650385483372
Energy: 0.6062867746961331
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Energy: 0.6501580236739031
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Energy: 0.6511100294507505
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Energy: 0.6151341782936102
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minimum gb energy = 0.5676634410595831 eV
minimum distance =  2.54357918913782 Angstroms
sigma value = 105


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

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Energy: 0.732098187800649
Energy: 0.7243577054862551
Energy: 0.6535965249431867
Energy: 0.6636081772797877
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Energy: 0.6714042410861017
Energy: 0.8091910064165105
Energy: 0.6420851580198591
Energy: 0.6589317477513316
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Energy: 0.6715212531833442
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Energy: 0.6577486139748681
Energy: 0.6614620435484021
Energy: 0.6738550919462887
Energy: 0.6862624314368977
Energy: 0.7004414851592154
Energy: 0.690169804571048
Energy: 0.6736599800920904
Energy: 0.6735026382902476
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Energy: 0.7249676515713569
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Energy: 0.6762269776493155
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Energy: 0.6781861805508003
Energy: 0.6781787023391762
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Energy: 0.7588249537397719
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Energy: 0.6915435744461557
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Energy: 0.6961129242995843
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Energy: 0.691660068989043
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Energy: 0.7007010286050175
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Energy: 0.6996211434393692
Energy: 0.6701916614597769
Energy: 0.6763120894019512
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Energy: 0.6781309178700253
Energy: 0.6919904909604802
Energy: 0.6750092307218711
Energy: 0.6752441931499785
Energy: 0.7045957303343899
Energy: 0.6280965978709456
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Energy: 0.6743008050747579
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Energy: 0.6762049795320819
Energy: 0.6805573803922288
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Energy: 0.6766277495115849
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Energy: 0.6772962825375045
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Energy: 0.7020688482224837
Energy: 0.6772449055563253
Energy: 0.6752416292083941
Energy: 0.6489223531867454
Energy: 0.7153344266258107
Energy: 0.6947708712188831
Energy: 0.5991801307506173
Energy: 0.6726254341415469
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Energy: 0.6416215013276765
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Energy: 0.6364939628358735
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Energy: 0.6034324790316468
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Energy: 0.6419478355847471
Energy: 0.6395002830971713
Energy: 0.6595493916223342
Energy: 0.6218102653002519
Energy: 0.6400222319250071
Energy: 0.6469163434821393
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Energy: 0.6399487527764056
Energy: 0.6486310007123396
Energy: 0.6399664312801009
Energy: 0.6299619426536753
Energy: 0.7555191448670201
Energy: 0.6404353396434864
Energy: 0.6320226905022176
Energy: 0.701328459510019
Energy: 0.7469705677901929
Energy: 0.6683099798262786
Energy: 0.6400900243482869
Energy: 0.6369164940547637
Energy: 0.7338044951568624
Energy: 0.7725295764555486
Energy: 0.6616991031668752
Energy: 0.6326839308819971
Energy: 0.6218854431267484
Energy: 0.599039921544405
Energy: 0.654574919929723
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Energy: 0.6230437514841368
Energy: 0.6243116873230183
Energy: 0.6182505487485356
Energy: 0.6433950486252352
Energy: 0.6876325653462347
Energy: 0.6625925886585069
Energy: 0.6219386333193226
Energy: 0.6214562434518882
Energy: 0.6111004900303579
Energy: 0.9818217104673028
Energy: 0.662433229651157
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Energy: 0.623167004714952
Energy: 0.612656741067711
Energy: 0.9808927149568215
Energy: 0.6434976592677993
Energy: 0.6142720833832368
Energy: 0.6251589929556887
Energy: 0.6241647056153624
Energy: 0.7162792394302965
Energy: 0.6544220363176605
Energy: 0.6183199692467535
Energy: 0.6237433009058897
Energy: 0.6220189457026962
Energy: 0.7393631814068193
Energy: 0.7405011514011681
Energy: 0.6799653791418842
Energy: 0.6140368790350476
Energy: 0.7074440902800752
Energy: 0.6741676586909663
Energy: 0.7418382746111101
Energy: 0.6808192424975076
Energy: 0.6233861700723122
Energy: 0.7198479225577757
Energy: 0.6750254927569438
Energy: 0.6450614146732856
Energy: 0.664956145833503
Energy: 0.6755145570416935
Energy: 0.62274535970051
Energy: 0.7370469824377752
Energy: 0.6665427062581899
Energy: 0.6629685348054056
Energy: 0.6752428563840647
Energy: 0.6229631022652551
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Energy: 0.6043609564607428
Energy: 0.6756140330347514
Energy: 0.673678322062309
Energy: 0.6627332094315295
Energy: 0.6318498755575602
Energy: 0.5970091239984179
Energy: 0.6745357085481287
Energy: 0.6734918387309391
Energy: 0.6633450724974204
Energy: 0.6487477103958563
Energy: 0.9813207395765815
Energy: 0.6959186643688586
Energy: 0.7001423186652533
Energy: 0.6802435116128442
Energy: 0.7115439866175591
Energy: 0.9829126176294274
Energy: 0.6929414793096507
Energy: 0.6967353853103533
Energy: 0.6735232965615222
Energy: 0.6963659396255588
Energy: 0.7087956029169431
Energy: 0.6803958825801242
Energy: 0.6880778287588695
Energy: 0.6750364874335263
Energy: 0.6745290720725663
Energy: 0.7094452489261065
Energy: 0.6751834094354293
Energy: 0.6932130308445088
Energy: 0.686200222188788
Energy: 0.6748950108647754
Energy: 0.6752131173571677
Energy: 0.6684085846652558
Energy: 0.6744889773907206
Energy: 0.6697443779775014
Energy: 0.6582195347693481
Energy: 0.6766786887529838
Energy: 0.6650241418858479
Energy: 0.6648859348726943
Energy: 0.7200829031953812
Energy: 0.6543380052771587
Energy: 0.712037659578514
Energy: 0.6236896882634746
Energy: 0.6760352255684983
Energy: 0.6762185304085045
Energy: 0.6563565117550525
Energy: 0.7247955605182282
Energy: 0.6818269517777837
Energy: 0.6744158389399726
Energy: 0.6753787590784
Energy: 0.6535299936764738
Energy: 0.693094724468732
Energy: 0.6762940540364843
Energy: 0.6803244458482676
Energy: 0.680015225545987
Energy: 0.6273875003929317
Energy: 0.6949096797126812
Energy: 0.6762410974662206
Energy: 0.6800618493143337
Energy: 0.6792430384714451
Energy: 0.631628150000822
Energy: 0.7066049757766675
Energy: 0.6979531191084098
Energy: 0.7145457346857691
Energy: 0.7792511271310275
Energy: 0.6742779244643657
Energy: 0.6408729420808607
Energy: 0.7626534822681897
Energy: 0.7200081197668169
Energy: 0.7779440753836966
Energy: 0.7231779523035388
Energy: 0.6752772773026012
Energy: 0.6477529970281198
Energy: 0.6456472981968379
Energy: 0.6540204372250484
Energy: 0.5991074504784512
Energy: 0.6611994067686178
Energy: 0.64164288829804
Energy: 0.6400209592129703
Energy: 0.6752986036414506
Energy: 0.626501974524306
Energy: 0.6767294187034302
Energy: 0.6367888890505143
Energy: 0.6333218159882225
Energy: 0.6332480243234148
Energy: 0.6423491985066077
Energy: 0.6772706790262197
Energy: 0.6435113072275691
Energy: 0.628639312403164
Energy: 0.6331637518835362
Energy: 0.7404908685394875

minimum gb energy = 0.5970091239984179 eV
minimum distance =  2.54251058533251 Angstroms
sigma value = 165


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

Energy: 0.751576146379266
Energy: 0.6706598121244098
Energy: 0.6051059478124273
Energy: 0.6569707642740982
Energy: 0.6705268273355675
Energy: 0.7522297157023171
Energy: 0.6418787065798736
Energy: 0.6050410014534896
Energy: 0.6576810836534257
Energy: 0.6709254854809685
Energy: 0.6421656858906608
Energy: 0.6565628434286354
Energy: 0.6427574397360278
Energy: 0.6434211582429799
Energy: 0.6442832210248289
Energy: 0.6450911390210895
Energy: 0.6592399235383997
Energy: 0.6422709729385432
Energy: 0.644214187548974
Energy: 0.6423785536064869
Energy: 0.6432279545546846
Energy: 0.6947691297800012
Energy: 0.6781768490390339
Energy: 0.6434121235203907
Energy: 0.670764815341909
Energy: 0.6428693963093572
Energy: 0.6946390397206648
Energy: 0.6428667426491919
Energy: 0.6425619124105145
Energy: 0.6713468141653179
Energy: 0.672702385905397
Energy: 0.6420020258741228
Energy: 0.6551453161608242
Energy: 0.644351025815409
Energy: 0.7565491006530979
Energy: 0.6794428694663069
Energy: 0.6428778480191032
Energy: 0.6554938808176802
Energy: 0.6449200481233672
Energy: 0.756358564252379
Energy: 0.6419825981427666
Energy: 0.6425629574368443
Energy: 0.6414817942741389
Energy: 0.6418499957262167
Energy: 0.6415875653184544
Energy: 0.6447615921865522
Energy: 0.6431345046263537
Energy: 0.6413283833438839
Energy: 0.6423754340712554
Energy: 0.6414692051555849
Energy: 0.6438189737972764
Energy: 0.7366913197141017
Energy: 0.6424066327177893
Energy: 0.6019597012996919
Energy: 0.6062631205473517
Energy: 0.64055978207571
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Energy: 0.6423505391109827
Energy: 0.600874026297115
Energy: 0.6066437875877383
Energy: 0.6442616238811063
Energy: 0.6606622321625419
Energy: 0.6566707691042114
Energy: 0.6052500767304096
Energy: 0.6574966825010253
Energy: 0.6424643020344645
Energy: 0.6588468321623335
Energy: 0.6566392719259868
Energy: 0.6055234014720389
Energy: 0.6565911996966323
Energy: 0.7528887104570741
Energy: 0.6415251360385706
Energy: 0.6813663292063692
Energy: 0.6771994642692599
Energy: 0.656893904281719
Energy: 0.67200143088049
Energy: 0.6413603348895687
Energy: 0.6789659315316577
Energy: 0.6062720870881295
Energy: 0.6561754728907454
Energy: 0.6731219292176102
Energy: 0.6569029296921861
Energy: 0.6433354320000012
Energy: 0.6438012070176469
Energy: 0.6415368748496707
Energy: 0.5976517894307606
Energy: 0.6065275939191566
Energy: 0.6428702536722136
Energy: 0.6444758535851657
Energy: 0.6705865224824976
Energy: 0.6429520014040782
Energy: 0.655625812137928
Energy: 0.6435657873563569
Energy: 0.642908737845561
Energy: 0.657266510582709
Energy: 0.6808213752005386
Energy: 0.6557681107015366
Energy: 0.6430824221727294
Energy: 0.64322161082869
Energy: 0.6432104956468083
Energy: 0.5992375512455633
Energy: 0.6449506319796372
Energy: 0.6697764878536857
Energy: 0.6781777113995477
Energy: 0.754205107139774
Energy: 0.69422219285113
Energy: 0.6428858537265937
Energy: 0.6685177769391274
Energy: 0.6782808355390508
Energy: 0.7538053866293202
Energy: 0.6594591532811762
Energy: 0.6418771560257892
Energy: 0.6426372441398507
Energy: 0.6424076172931243
Energy: 0.6715556143083693
Energy: 0.6604747312630029
Energy: 0.7133819777279858
Energy: 0.6425293604682633
Energy: 0.641835976623701
Energy: 0.6709488808952698
Energy: 0.643043644787159
Energy: 0.737605854991424
Energy: 0.6412115474612902
Energy: 0.6430872759291809
Energy: 0.6056787404810379
Energy: 0.6399678324799293
Energy: 0.7362365484040119
Energy: 0.6410963947311008
Energy: 0.6620858742735655
Energy: 0.6056471296804514
Energy: 0.6417296008760603
Energy: 0.7127907952782031
Energy: 0.6582401548122663
Energy: 0.6015684599136686
Energy: 0.6428981592576248
Energy: 0.6421972511631925
Energy: 0.6547814784971459
Energy: 0.6211498242095039
Energy: 0.5996096338904768
Energy: 0.6436459487702655
Energy: 0.6423774877010833
Energy: 0.6429589866060531
Energy: 0.6770904437014743
Energy: 0.606486991757728
Energy: 0.6571723901125932
Energy: 0.6960763624145653
Energy: 0.6426498994712597
Energy: 0.676823455473264
Energy: 0.6074554730798357
Energy: 0.657284810564819

minimum gb energy = 0.5976517894307606 eV
minimum distance =  2.58221936534392 Angstroms
sigma value = 41


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

Energy: 0.7030678827841833
Energy: 0.6292238610186848
Energy: 0.6487014332650813
Energy: 0.611599795647379
Energy: 0.6151015370402443
Energy: 0.6110518647599994
Energy: 0.6047505584762204
Energy: 0.6503648138258632
Energy: 0.6171257884519253
Energy: 0.623349613567633
Energy: 0.7086058949583214
Energy: 0.615225592395691
Energy: 0.5956685698140275
Energy: 0.6060097720281695
Energy: 0.5953311028296486
Energy: 0.6857456293627266
Energy: 0.614588443544018
Energy: 0.6003623531005301
Energy: 0.6079493990275373
Energy: 0.6180049077370834
Energy: 0.6134384815921518
Energy: 0.6638069943061767
Energy: 0.6880128135717115
Energy: 0.6212220509977266
Energy: 0.6228992442961214
Energy: 0.621720409538858
Energy: 0.6640916313118423
Energy: 0.6641489453135647
Energy: 0.6250660236907026
Energy: 0.6875927173716091
Energy: 0.6139705332226285
Energy: 0.6342688346883382
Energy: 0.6135015795358957
Energy: 0.6146132380496719
Energy: 0.6091748222917145
Energy: 0.6139775289541947
Energy: 0.6201813391565012
Energy: 0.6041730086995497
Energy: 0.6122476536068769
Energy: 0.6092399721422408
Energy: 0.6238105167113193
Energy: 0.6185646791059918
Energy: 0.6144301202629526
Energy: 0.6222034708779113
Energy: 0.6386901806163462
Energy: 0.6267095852238522
Energy: 0.6140466185819945
Energy: 0.6152206015752582
Energy: 0.6269336921179454
Energy: 0.657704211809699
Energy: 0.653504610231136
Energy: 0.6609810176448635
Energy: 0.624133007677626
Energy: 0.6119764745353395
Energy: 0.6167923772410399
Energy: 0.6293451552925005
Energy: 0.6626447462337559
Energy: 0.6276115997478202
Energy: 0.5802109195328529
Energy: 0.6290543817265255
Energy: 0.6611635530705511
Energy: 0.6258846447885692
Energy: 0.6154251058700084
Energy: 0.6109720911791862
Energy: 0.6056900318442527
Energy: 0.6557111194141223
Energy: 0.6212501263958724
Energy: 0.6158848622761808
Energy: 0.6123971026142655
Energy: 0.6230375435237852
Energy: 0.6420820187516983
Energy: 0.6166819148478841
Energy: 0.6174235136924231
Energy: 0.6451087934967629
Energy: 0.6375402047106076
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Energy: 0.6161924672258026
Energy: 0.6184673775645476
Energy: 0.6519928432060325
Energy: 0.6198753445143766
Energy: 0.6720934578921809
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Energy: 0.6593032607400556
Energy: 0.6632281895077077
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Energy: 0.682776716434117
Energy: 0.6369884906349974
Energy: 0.6697334375150695
Energy: 0.6329546867780743
Energy: 0.6153009498859883
Energy: 0.6227095652215258
Energy: 0.5885530187012719
Energy: 0.5879017910022084
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Energy: 0.6579286273169359
Energy: 0.6041328715969316
Energy: 0.5932332568162109
Energy: 0.5858458215596913
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Energy: 0.6404834897256216
Energy: 0.6182652768830145
Energy: 0.5875821148254486
Energy: 0.5923314519571555
Energy: 0.5845509968434172
Energy: 0.612994720222816
Energy: 0.6186259388706987
Energy: 0.5874412684982443
Energy: 0.5890772665155383
Energy: 0.6062644043376568
Energy: 0.6124357638800423
Energy: 0.6255429381658806
Energy: 0.5919965723268904
Energy: 0.603240480653121
Energy: 0.5937983009265291
Energy: 0.6602749502224124
Energy: 0.6191300963601193
Energy: 0.5996761417434527
Energy: 0.6021699741577289
Energy: 0.5939672605501375
Energy: 0.6777916808993706
Energy: 0.6051598111261982
Energy: 0.6240581729929066
Energy: 0.6123124014050151
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Energy: 0.6134124199067021
Energy: 0.6106061973760125
Energy: 0.6241421611282978
Energy: 0.6112309588034495
Energy: 0.6605225206085064
Energy: 0.6191266505864648
Energy: 0.588617906821252
Energy: 0.6005466382868789
Energy: 0.6006583656179951
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Energy: 0.6134271957985863
Energy: 0.6083448483646361
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Energy: 0.6006820787657721
Energy: 0.6107610918583388
Energy: 0.6139852072065777
Energy: 0.6130984558438449
Energy: 0.6066812120197561
Energy: 0.6011013274791631
Energy: 0.7101439700053356
Energy: 0.6260106924847761
Energy: 0.6245616252193884
Energy: 0.60675219697387
Energy: 0.6008848191983007
Energy: 0.6739933806151222
Energy: 0.6046452245497292
Energy: 0.697170272046121
Energy: 0.6670098626521251
Energy: 0.6189465718031543
Energy: 0.6137319823850386
Energy: 0.6647450051169972
Energy: 0.6559176026739894
Energy: 0.619430421675688
Energy: 0.6188907042683903
Energy: 0.6137730620869589
Energy: 0.6639270786035102
Energy: 0.616579146448472
Energy: 0.6123848672717843
Energy: 0.6095210832241145
Energy: 0.6214993503119772
Energy: 0.6347831960677119
Energy: 0.6155562807083506
Energy: 0.6123940339230326
Energy: 0.6091017430995108
Energy: 0.6206756776854899
Energy: 0.6368979864984168
Energy: 0.6130816562825606
Energy: 0.6283835341769703
Energy: 0.700314995221608
Energy: 0.6366398835981866
Energy: 0.6444513461219077
Energy: 0.6131686824162395
Energy: 0.6285268352595892
Energy: 0.6753881307761628
Energy: 0.6221225404482345
Energy: 0.651829245089899
Energy: 0.6362525816132015
Energy: 0.6699600114800782
Energy: 0.6159763642515054
Energy: 0.6530415363639702
Energy: 0.6506801826420885
Energy: 0.6395755716726024
Energy: 0.6238585510778913
Energy: 0.615929960823256
Energy: 0.6528916249239506
Energy: 0.6510798958422911
Energy: 0.6169887648460463
Energy: 0.6147365769497025
Energy: 0.6234596435066945
Energy: 0.6788278631676418
Energy: 0.6157546147557307
Energy: 0.616592490772143
Energy: 0.6146956081038022
Energy: 0.6308696287296672
Energy: 0.6869391382662944
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Energy: 0.6181059592389333
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Energy: 0.6200872042920104
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Energy: 0.6145599796877828
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Energy: 0.7287071374140017
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Energy: 0.6152690333953535
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Energy: 0.6580218276547617
Energy: 0.6190244327167713
Energy: 0.6215765577049698
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Energy: 0.6281220481533325
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Energy: 0.6265562016099275
Energy: 0.6668391756487487
Energy: 0.6261233916448736
Energy: 0.6190973902881598
Energy: 0.6296013223112396
Energy: 0.6237590354821799
Energy: 0.6665968487346337
Energy: 0.6230547761009952
Energy: 0.712151318417362
Energy: 0.5891066169016173
Energy: 0.5901652481519553
Energy: 0.5856133045021868
Energy: 0.6272391397998371
Energy: 0.6399416938800758
Energy: 0.5910162420966274
Energy: 0.5899816022628944
Energy: 0.5895462969884148
Energy: 0.6384024333436168
Energy: 0.6122887174367474
Energy: 0.5824024820268446
Energy: 0.5971315292074763
Energy: 0.617887111221472
Energy: 0.629854081390987
Energy: 0.6541638968575438
Energy: 0.6013415757587518
Energy: 0.5959176466134727
Energy: 0.6209227790638809
Energy: 0.617309288016923
Energy: 0.6233858415441024
Energy: 0.6202284346544088
Energy: 0.6289003007197032
Energy: 0.5800848886732
Energy: 0.6644188773117206
Energy: 0.6156539210360612
Energy: 0.616829534458543
Energy: 0.6244211080306618
Energy: 0.590833562201308
Energy: 0.7378260549462617
Energy: 0.6007955532045796
Energy: 0.6237594014879954
Energy: 0.6206019313377086
Energy: 0.6193817102602044
Energy: 0.6122562151701655
Energy: 0.5949836026045883
Energy: 0.6191448140410492
Energy: 0.5981830874727829
Energy: 0.6313657663172376

minimum gb energy = 0.5800848886732 eV
minimum distance =  2.59837916742979 Angstroms
sigma value = 185


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

Energy: 0.39648819308594935
Energy: 0.38358341106941285
Energy: 0.5214866754319607
Energy: 0.4867644347218413
Energy: 0.2868370469085379
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Energy: 0.2866217065690193
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Energy: 0.3256976780383469
Energy: 0.32554075184977554
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Energy: 0.4993281617129903
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Energy: 0.5056473708187315
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Energy: 0.4590168907232522
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Energy: 0.47409185748910954
Energy: 0.32157979668720427
Energy: 0.48780962586628707
Energy: 0.5106929745182991
Energy: 0.49617620812939545
Energy: 0.5051202706100651
Energy: 0.3371712485078994
Energy: 0.44082756313104954
Energy: 0.5421469647504644
Energy: 0.4845838283647937
Energy: 0.3057700721793418
Energy: 0.30874890323973914
Energy: 0.4786839584259747
Energy: 0.8391167834151362
Energy: 0.5138533347612588
Energy: 0.3447871967784483
Energy: 0.3483407406627594
Energy: 0.5121700999645253
Energy: 0.49758459967468843
Energy: 0.499449937401989
Energy: 0.4724820648465502
Energy: 0.5090133340289792
Energy: 0.4638650222718845
Energy: 0.48185856665058346
Energy: 0.4663898845656154
Energy: 0.41512320117008067
Energy: 0.48641566031639405
Energy: 0.5062419205708876
Energy: 0.49791055192256367
Energy: 0.4922449211108253
Energy: 0.4019992923270347
Energy: 0.48812137425406305
Energy: 0.5314164340491203
Energy: 0.5079736179172799
Energy: 0.46700043728029217
Energy: 0.28670066839606356
Energy: 0.4952363533458418
Energy: 0.49723878632093305
Energy: 0.5278142146750723
Energy: 0.39765742591468983

minimum gb energy = 0.2866217065690193 eV
minimum distance =  2.67451363236448 Angstroms
sigma value = 33


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

Energy: 0.8229803992469444
Energy: 0.5696856891443605
Energy: 0.585543757144083
Energy: 0.5379557229451958
Energy: 0.560663112840817
Energy: 0.6306995791070531
Energy: 0.55911610740212
Energy: 0.5655468433087952
Energy: 0.5574547386746138
Energy: 0.5736299596312607
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Energy: 0.5345077209375295
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Energy: 0.5626390643926992
Energy: 0.5595401533756184
Energy: 0.5587508536383199
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Energy: 0.6619855262767022
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Energy: 0.5630764424662782
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Energy: 0.5669770684658619
Energy: 0.6329250529406464
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Energy: 0.5607816724248804
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Energy: 0.5792502356305975
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Energy: 0.5863166469128261
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Energy: 0.6355169564000994
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Energy: 0.5785372866131973
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Energy: 0.5656468163930163
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Energy: 0.634658374438008
Energy: 0.6114131292710081
Energy: 0.5829746577316965
Energy: 0.5660143703027946
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Energy: 0.5856162653225689
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Energy: 0.6101782210484559
Energy: 0.5951554469453333
Energy: 0.5775441819733377
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Energy: 0.5659481787661528
Energy: 0.5567744683024416
Energy: 0.5538054285465236
Energy: 0.5859480077801432
Energy: 0.6011920428630914
Energy: 0.5672883339985995
Energy: 0.5594280462640905
Energy: 0.5562727462520061
Energy: 0.5682179041362311
Energy: 0.5684190350370052
Energy: 0.5526019999336128
Energy: 0.5463747060530768
Energy: 0.5586747978906487
Energy: 0.5624835987227849
Energy: 0.5588743592510003
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Energy: 0.557694338333797
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Energy: 0.5899566110921254
Energy: 0.5611116186926665
Energy: 0.561529619758982
Energy: 0.5851969913874767
Energy: 0.5598884407036192
Energy: 0.5805105383522383

minimum gb energy = 0.531888744922603 eV
minimum distance =  2.53464368334521 Angstroms
sigma value = 219


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

Energy: 0.8778470349852884
Energy: 0.7189783713698208
Energy: 0.6644929998025759
Energy: 0.6901997197784839
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Energy: 0.7442651765700082
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Energy: 0.6642295508843375
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Energy: 0.6609945599165983
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Energy: 0.6921652164908051
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Energy: 0.6921106630661539
Energy: 0.6290884860822549
Energy: 0.7200015581432587
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Energy: 0.693772869215063
Energy: 0.6544100991470063
Energy: 0.7219135538808138
Energy: 0.6592384970514021
Energy: 0.7116767390277895
Energy: 0.7029428363226338
Energy: 0.6944711221669053
Energy: 0.6727079568696823
Energy: 0.7305994153060306
Energy: 0.702415116817054
Energy: 0.7018871617045608
Energy: 0.6943057890523492
Energy: 0.6658044107624423
Energy: 0.6904608165823164
Energy: 0.7036518323203692
Energy: 0.7043863347008021
Energy: 0.7028634311191688
Energy: 0.636762907457072
Energy: 0.6369217961609744
Energy: 0.6921182296117498
Energy: 0.7400886864216834
Energy: 0.6832522669799209
Energy: 0.6295934653640711
Energy: 0.6375619766502475
Energy: 0.6921908516815748

minimum gb energy = 0.615696128222179 eV
minimum distance =  2.59857982576433 Angstroms
sigma value = 15


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

Energy: 1.0016059202047447
Energy: 0.7359755390530728
Energy: 0.7122092615977935
Energy: 0.670715747584596
Energy: 0.7131176658767945
Energy: 1.0019885498639565
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Energy: 0.735695065253279
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Energy: 0.6591832626736425
Energy: 0.68610699963256
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Energy: 0.6686021854928605
Energy: 0.7100062543483089
Energy: 0.7438344726057304
Energy: 0.7592408749440115
Energy: 0.7061567065478603
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Energy: 0.7054973466254064
Energy: 0.7659384687555186
Energy: 0.7581353785308605
Energy: 0.7051039284288372
Energy: 0.7330420462710764
Energy: 0.7318266407587439
Energy: 0.6872465020025036
Energy: 0.7225405639428705
Energy: 0.7053138307776557
Energy: 0.7469560606331126
Energy: 0.7071786436853768
Energy: 0.7084214698537563
Energy: 0.7683818578557956
Energy: 0.7049402967346492
Energy: 0.7455603766912646
Energy: 0.7098923635455582
Energy: 0.7090265490676751
Energy: 0.7317729320022948
Energy: 0.7645579030749661
Energy: 0.6683253434907886
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minimum gb energy = 0.6566204066508079 eV
minimum distance =  2.53744520609269 Angstroms
sigma value = 293


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

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Energy: 0.6770558565962634
Energy: 0.6596539154694054
Energy: 0.7114322440711446
Energy: 0.7299103973117878
Energy: 0.7435324080226857
Energy: 0.6582850863201074
Energy: 0.6557704889274817
Energy: 0.6702361849300368
Energy: 0.6688675513817586
Energy: 0.7437655928394636
Energy: 0.6566494908953175
Energy: 0.6558719376030765
Energy: 0.6892680022607232
Energy: 0.6356010257232928
Energy: 0.7278610977854135
Energy: 0.6558839655328305
Energy: 0.6552655139105971
Energy: 0.70392832306318
Energy: 0.6354490014768861
Energy: 0.728948861182071
Energy: 0.6559610175974394
Energy: 0.6573756021711472
Energy: 0.7040685224031523
Energy: 0.6671337354922389
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Energy: 0.6564237423352838
Energy: 0.6568628938946842
Energy: 0.6845484610555814
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Energy: 0.6809324617047112
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Energy: 0.6922442149228731
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Energy: 0.6369974607260651
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Energy: 0.7079744880093652
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Energy: 0.6373021703670445
Energy: 0.6562260363163763
Energy: 0.6832039913587842
Energy: 0.6776949029821738
Energy: 0.6976670126378421
Energy: 0.7438405558228284
Energy: 0.6566715520486593
Energy: 0.6557852711003488
Energy: 0.6776504402132569
Energy: 0.6564017717694925
Energy: 0.6920709067842385
Energy: 0.6572066145108635
Energy: 0.6554585104422432
Energy: 0.7128210897627927
Energy: 0.7086330707242623
Energy: 0.7108612744749084
Energy: 0.6574137611849731
Energy: 0.6985911976056314
Energy: 0.7243769573212576
Energy: 0.7017189409561202
Energy: 0.711619606061776
Energy: 0.6570522338546478
Energy: 0.711841511728599
Energy: 0.6817764638489593
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Energy: 0.6554014726986636
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Energy: 0.6910308890075547
Energy: 0.6781338034422825
Energy: 0.7475838565316636
Energy: 0.7448905713691423
Energy: 0.6883094138079486
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Energy: 0.6785333912693704
Energy: 0.74730224833759
Energy: 0.7397055852553133
Energy: 0.6880658528330326
Energy: 0.6728043647305717
Energy: 0.6773249932169764
Energy: 0.6549396345070251
Energy: 0.7061520593727786
Energy: 0.7133597428534932
Energy: 0.6571942402916526
Energy: 0.6784185404081474
Energy: 0.6553894478220968
Energy: 0.706927403225308
Energy: 0.6701171940868561
Energy: 0.6576485722650789
Energy: 0.6566010606752919
Energy: 0.6566115013366766
Energy: 0.7037953591378731
Energy: 0.635458068280158
Energy: 0.6555216999689748
Energy: 0.6562244383518772
Energy: 0.7150679030138942
Energy: 0.6364194989184652
Energy: 0.6353825491851959
Energy: 0.655261020050535
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Energy: 0.6815894005791904
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Energy: 0.7120813640898952
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Energy: 0.6544669626160383
Energy: 0.6973998881166905
Energy: 0.7074066589336145
Energy: 0.682670301689837
Energy: 0.6560975048482414
Energy: 0.6544031014305375
Energy: 0.6979194449864689
Energy: 0.7110678859414452
Energy: 0.6844308626741376
Energy: 0.7074831943867823
Energy: 0.6559716420393423
Energy: 0.6775036041288917
Energy: 0.7059742819314168
Energy: 0.6366407595324889
Energy: 0.7220295715267377
Energy: 0.6567854064493538
Energy: 0.7062369336614499
Energy: 0.7070839571991395
Energy: 0.6365912951083479
Energy: 0.6835037689670289
Energy: 0.6569539447564283
Energy: 0.679237826914942
Energy: 0.7366364972796062
Energy: 0.6366024279164283
Energy: 0.6573321014096166
Energy: 0.6569469972653609
Energy: 0.6944681285940517
Energy: 0.73777713155249
Energy: 0.6369074875671279
Energy: 0.6916573273660869
Energy: 0.6571093163162525
Energy: 0.6584648356928272
Energy: 0.7227792919324364
Energy: 0.6812380550767725
Energy: 0.6921519230149339
Energy: 0.656662758392511
Energy: 0.6560907805352667
Energy: 0.7266787547974071
Energy: 0.7117950011324162
Energy: 0.7127044911482773
Energy: 0.6884315533008508
Energy: 0.7113991835137946
Energy: 0.7027742267253033
Energy: 0.7248428817587385
Energy: 0.6587998061277911
Energy: 0.6894148471211404
Energy: 0.7112453525182181
Energy: 0.7145034948153961
Energy: 0.7118029249688794
Energy: 0.6910723392984837
Energy: 0.669738989179258
Energy: 0.6912177308788815
Energy: 0.6988881594810266
Energy: 0.6782965652185442
Energy: 0.6683372594735846
Energy: 0.6722638808347724
Energy: 0.7434483207676906
Energy: 0.6999314050565622
Energy: 0.677950694888621
Energy: 0.6598659934485589
Energy: 0.6773265092181555
Energy: 0.6553903271864112
Energy: 0.6580791753765419
Energy: 0.7124196378853849
Energy: 0.6567979368294383
Energy: 0.677626198248925
Energy: 0.6553108510740067
Energy: 0.659470167927792
Energy: 0.7118583542981917
Energy: 0.6358159851810298
Energy: 0.7123514183010841
Energy: 0.6557310119671838
Energy: 0.6561095442084655
Energy: 0.680664417553644
Energy: 0.6355725015859247
Energy: 0.7100322334314606
Energy: 0.7064127519417543
Energy: 0.6562561367464476
Energy: 0.638088127272699

minimum gb energy = 0.6351602130029309 eV
minimum distance =  2.57124218783971 Angstroms
sigma value = 293


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

Energy: 0.5878686836075113
Energy: 0.5880751219071093
Energy: 0.6493789977537208
Energy: 0.7049350674525068
Energy: 0.5882948708820188
Energy: 0.5886006190768601
Energy: 0.5985758318977455
Energy: 0.6495160411958383
Energy: 0.7048650576874149
Energy: 0.5882086321343373
Energy: 0.5882275439553861
Energy: 0.5979804782960209
Energy: 0.5994852888121588
Energy: 0.5988363839638629
Energy: 0.5993504221031317
Energy: 0.6251507041854435
Energy: 0.5988798072977349
Energy: 0.5884391043128081
Energy: 0.7064170975788552
Energy: 0.5976221170703694
Energy: 0.5982846173777381
Energy: 0.704438866364554
Energy: 0.5980420284048605
Energy: 0.6491986413492853
Energy: 0.6248510606800286
Energy: 0.6004835403545365
Energy: 0.7043737745247538
Energy: 0.5981313557806827
Energy: 0.6497297048895064
Energy: 0.6240255212602062
Energy: 0.6500556802909302
Energy: 0.588217895547018
Energy: 0.5881931735067497
Energy: 0.5999987212293515
Energy: 0.6485548726900333
Energy: 0.6498226793577638
Energy: 0.5882998724901402
Energy: 0.5882376291544521
Energy: 0.600273556717172
Energy: 0.5935491636762569
Energy: 0.70425459883865
Energy: 0.5881869728095742
Energy: 0.5878850449570129
Energy: 0.6247190146000067
Energy: 0.5980332317886619
Energy: 0.705346328854933
Energy: 0.5880893514508004
Energy: 0.5879886813781394
Energy: 0.6258675100141864
Energy: 0.599891636507657
Energy: 0.7043674393136499
Energy: 0.6496845081204538
Energy: 0.7046268114546254
Energy: 0.6004272019218541
Energy: 0.5885625200931749
Energy: 0.7046555026679756
Energy: 0.6490553787726885
Energy: 0.704945595067633
Energy: 0.5987254710074101
Energy: 0.6143476867159947
Energy: 0.5981749677802831
Energy: 0.5942388325256859
Energy: 0.5979188707548069
Energy: 0.5980764091096183
Energy: 0.6255612790602143
Energy: 0.6489532839272293
Energy: 0.5931968287126631
Energy: 0.5977029308631422
Energy: 0.5982926382902739
Energy: 0.6258201344159806
Energy: 0.6474361989141298
Energy: 0.6256290527985489
Energy: 0.5977873728811202
Energy: 0.5879034353845901
Energy: 0.58816698565203
Energy: 0.6466750208620553
Energy: 0.7324403315713085
Energy: 0.597749460271961
Energy: 0.5879183868027336
Energy: 0.588376780340823
Energy: 0.5980394386335312
Energy: 0.5882464500229603
Energy: 0.5990498933007573
Energy: 0.5881245236147616
Energy: 0.6239211486182871
Energy: 0.5981599688691905
Energy: 0.5996430298022678
Energy: 0.5995066580427235
Energy: 0.5880205873547537
Energy: 0.6239618180936096
Energy: 0.5987982782274485
Energy: 0.5984156992787741
Energy: 0.7331210850642946
Energy: 0.5980103229161466
Energy: 0.7045648286332883
Energy: 0.5979295874098667
Energy: 0.5980212186953539
Energy: 0.7320709860077941
Energy: 0.598073595625393
Energy: 0.704202877781065
Energy: 0.5882177926493058
Energy: 0.5976927962828844
Energy: 0.5990864328750006
Energy: 0.6490997245304282
Energy: 0.6245989092185835
Energy: 0.5883185826518547
Energy: 0.5985678204557735
Energy: 0.5932613923574943
Energy: 0.5980726740497405
Energy: 0.6246708387039863
Energy: 0.5880066508786411
Energy: 0.5983421466829832
Energy: 0.6491942651662866
Energy: 0.7048823642303768
Energy: 0.5882043191011492
Energy: 0.5887392099103629
Energy: 0.5976633298740491
Energy: 0.6492700304520658
Energy: 0.7049123170659356
Energy: 0.588244458841674
Energy: 0.6241957113250906
Energy: 0.5982251049602678
Energy: 0.5990948519577495
Energy: 0.5989542605321071
Energy: 0.5998062142038912
Energy: 0.6268183854745484
Energy: 0.5979966427673414
Energy: 0.5883936391194282
Energy: 0.7067597790398896
Energy: 0.6466711971212201
Energy: 0.5981080224106884
Energy: 0.7045943062629352
Energy: 0.5980223716834928
Energy: 0.6489725671751378
Energy: 0.6246053886584516
Energy: 0.5999448636234067
Energy: 0.704489575891427
Energy: 0.597932014856937
Energy: 0.6497616673374639
Energy: 0.6239960196705783
Energy: 0.6501199486130188
Energy: 0.5881764006100861
Energy: 0.5881044615761996
Energy: 0.5996712022125973
Energy: 0.6485036610795918
Energy: 0.6500468424940239
Energy: 0.5881808928103797
Energy: 0.5881520901795877
Energy: 0.6001095842017952
Energy: 0.6238137820760308
Energy: 0.7043858053181951
Energy: 0.5882266198628161
Energy: 0.5879923621126311
Energy: 0.6245573012464611
Energy: 0.5982651855523712
Energy: 0.705108262274499
Energy: 0.5881640359997086
Energy: 0.588080541630941
Energy: 0.5983869015124853
Energy: 0.5979661033608558
Energy: 0.5979770068483774
Energy: 0.6497949878762288
Energy: 0.7046890318623478
Energy: 0.5998653620298358
Energy: 0.588483703647608
Energy: 0.7044859087930885
Energy: 0.6492500881883126
Energy: 0.704820644804316
Energy: 0.5986571227216514
Energy: 0.5880032686779889
Energy: 0.597779381839668
Energy: 0.5942883598114661
Energy: 0.5976319263133762
Energy: 0.5979734789086153
Energy: 0.6257315147061826
Energy: 0.5979580024338114
Energy: 0.5931898858774178
Energy: 0.5980065212201326
Energy: 0.5979737660399953
Energy: 0.6258210867534925
Energy: 0.6470604101745085
Energy: 0.6256856934122688
Energy: 0.5978363297300897
Energy: 0.5878302331089582
Energy: 0.588126443197839
Energy: 0.6494624251562141
Energy: 0.7326061262743666
Energy: 0.5978297776778263
Energy: 0.5879663634995067
Energy: 0.5881406040632315
Energy: 0.5979883999624128
Energy: 0.5882360171687789
Energy: 0.7059665282217897
Energy: 0.5882150948991677
Energy: 0.6262527643791431
Energy: 0.598675814274595
Energy: 0.5992280040669796
Energy: 0.5997812952384781
Energy: 0.5881327827903976
Energy: 0.597976500741916
Energy: 0.5989167907638193
Energy: 0.5979734453542956
Energy: 0.7333255910197943
Energy: 0.597668328249222
Energy: 0.7046291449823611
Energy: 0.5977586739842041
Energy: 0.5983013809086916
Energy: 0.7320091461757168
Energy: 0.5976013918576736
Energy: 0.7044832782775332
Energy: 0.5882155981338084
Energy: 0.5985576573648309
Energy: 0.5990117338712566
Energy: 0.6491700715790822
Energy: 0.6245043024307468
Energy: 0.5881631029404153
Energy: 0.5983969585656194
Energy: 0.5932308265564171
Energy: 0.6487180685199571
Energy: 0.6245227811581566

minimum gb energy = 0.5878302331089582 eV
minimum distance =  2.59968520239819 Angstroms
sigma value = 15


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

Energy: 1.079060415612574
Energy: 0.6594675699206796
Energy: 0.6666720973230374
Energy: 0.703885973218596
Energy: 0.6570621909673047
Energy: 0.6319504003452054
Energy: 0.6601622348662471
Energy: 0.6662352743343355
Energy: 0.7037517903619337
Energy: 0.7667456998369825
Energy: 0.6360253985745169
Energy: 0.7038203597318662
Energy: 0.6532522882137806
Energy: 0.6481956136330995
Energy: 0.743416353572701
Energy: 0.6347176294859398
Energy: 0.7031298935242042
Energy: 0.6536431162080136
Energy: 0.7043333889044742
Energy: 0.6836895981459712
Energy: 0.698356522701892
Energy: 0.7634894067911093
Energy: 0.6346045538550122
Energy: 0.6625290780235564
Energy: 0.7028391700766291
Energy: 0.6863051639456248
Energy: 0.6997640094840955
Energy: 0.6346426811965016
Energy: 0.6619568519282215
Energy: 0.7084911267892448
Energy: 0.7039861114907112
Energy: 0.6676221352679006
Energy: 0.7022513891619444
Energy: 0.7025767688778163
Energy: 0.7029233513290256
Energy: 0.7038073257130665
Energy: 0.6679318182561313
Energy: 0.7411341440883642
Energy: 0.6982568647328788
Energy: 0.7095554127777817
Energy: 0.6348379005561007
Energy: 0.6388458634140364
Energy: 0.683984477971506
Energy: 0.6348696230412711
Energy: 0.6295065509884974
Energy: 0.6366161802142348
Energy: 0.6332396958547731
Energy: 0.6841550724960468
Energy: 0.6391642333721146
Energy: 0.6292131947706576
Energy: 0.7539397285586843
Energy: 0.6349058179841626
Energy: 0.6645369539266942
Energy: 0.7180100904293185
Energy: 0.7526693240553184
Energy: 0.7029630051508399
Energy: 0.635066977163767
Energy: 0.6644105496965466
Energy: 0.7161262908055261
Energy: 0.752028496105506
Energy: 0.6384213148690784
Energy: 0.6356169939908398
Energy: 0.6736849947262139
Energy: 0.6641165251031381
Energy: 0.7129202113922474
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Energy: 0.6733809937379065
Energy: 0.6886138730766082
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Energy: 0.6386197933142426
Energy: 0.6380444198276624
Energy: 0.681926456077018
Energy: 0.6874413079449948
Energy: 0.7109500192411747
Energy: 0.6380207973195982
Energy: 0.6352295941846375
Energy: 0.6319786527660437
Energy: 0.6867379469619035
Energy: 0.738865495286798
Energy: 0.6324692123240436
Energy: 0.7508081252640663
Energy: 0.6788520375170892
Energy: 0.6320348728255603
Energy: 0.6702183936192778
Energy: 0.6325418817641085
Energy: 0.7507178133186495
Energy: 0.7086884993701529
Energy: 0.6319224632038776
Energy: 0.6417285884691435
Energy: 0.6829943810929892
Energy: 0.6822968803858285
Energy: 0.6486145773081686
Energy: 0.6477951362491715
Energy: 0.6306500026905197
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Energy: 0.6827584679805164
Energy: 0.6487343663855194
Energy: 0.6478935480264781
Energy: 0.6337229431339452
Energy: 0.6668696830881518
Energy: 0.6527263663214041
Energy: 0.6535152513012795
Energy: 0.6497658616922389
Energy: 0.6488661186827452
Energy: 0.6661185990943732
Energy: 0.6682866766632869
Energy: 0.6461441992099209
Energy: 0.6501752961428358
Energy: 0.6304231325193741
Energy: 0.7159446826998194
Energy: 0.6677127228536923
Energy: 0.6418732097617875
Energy: 0.6309803161508389
Energy: 0.7901956935720924
Energy: 0.7163908756225658
Energy: 0.6887103806412421
Energy: 0.6389646313138849
Energy: 0.6311697382188939
Energy: 0.6982461184510937
Energy: 0.6666733149971142
Energy: 0.6331388439870305
Energy: 0.6380315548983613
Energy: 0.6304205236415479
Energy: 0.7585088148916274
Energy: 0.7103346445235112
Energy: 0.6341491960406179
Energy: 0.6347330784837666
Energy: 0.6304413016588006
Energy: 0.6795738810660638
Energy: 0.6501810675127846
Energy: 0.6906315353632491
Energy: 0.6309766565973853
Energy: 0.7243799858267324
Energy: 0.6678834652324102
Energy: 0.6505980916280618
Energy: 0.6896328768876346
Energy: 0.6266519057158146
Energy: 0.7036781576276018
Energy: 0.6679696631492171
Energy: 0.6326834483086635
Energy: 0.6619418289607093
Energy: 0.6303833776465944
Energy: 0.6411384121265683
Energy: 0.6576109425811927
Energy: 0.6326942742507005
Energy: 0.7186317590533721
Energy: 0.6309194153731835
Energy: 0.7755687356804556
Energy: 0.6449928896777923
Energy: 0.7413742126335698
Energy: 0.7193521299609911
Energy: 0.7174000800455735
Energy: 0.7184677012997783
Energy: 0.7064218142632549
Energy: 0.7313665608009734
Energy: 0.717951347080794
Energy: 0.7176659833403554
Energy: 0.7084331874656004
Energy: 0.7034593138719759
Energy: 0.6305546457861081
Energy: 0.6417719590479989
Energy: 0.697738400816513
Energy: 0.6768310421115987
Energy: 0.6853003623583227
Energy: 0.6305233836027262
Energy: 0.7717532448625835
Energy: 0.6968584741207512
Energy: 0.6965966236775323
Energy: 0.684778070368494
Energy: 0.6863219012761389
Energy: 0.7518827258768058
Energy: 0.7552646081240124
Energy: 0.6600779188720962
Energy: 0.6502270151942243
Energy: 0.6867621331397299
Energy: 0.7514953813880899
Energy: 0.7575936612356154
Energy: 0.685255121882752
Energy: 0.6358781145068465
Energy: 0.6743114660626703
Energy: 0.6928255063095455
Energy: 0.6624345561155945
Energy: 0.6399447858148031
Energy: 0.6360116148644666
Energy: 0.6730797125347916
Energy: 0.6927203474115357
Energy: 0.6625226139092497
Energy: 0.6383663618917692
Energy: 0.6357301123190002
Energy: 0.6488142103163267
Energy: 0.6875653058083024
Energy: 0.7442470560360875
Energy: 0.6353851696215957
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Energy: 0.6847265351730157
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Energy: 0.6652486052101215
Energy: 0.7150943101215376
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Energy: 0.6497287748778925
Energy: 0.6492543371307006
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Energy: 0.6645168337538246
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Energy: 0.6499710002695628
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Energy: 0.7160743360453717
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Energy: 0.6302509132798931
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Energy: 0.6642043926661024
Energy: 0.6920227577977328
Energy: 0.6679693254408673
Energy: 0.6327830962894165
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Energy: 0.6405822834097689
Energy: 0.6446591004015778
Energy: 0.6327714533639981
Energy: 0.6618984765762472
Energy: 0.6307317178379258
Energy: 0.7810383717989586
Energy: 0.6443392826484241
Energy: 0.7248633955251768
Energy: 0.7179030898191382
Energy: 0.7213804290974464
Energy: 0.7159270915485211
Energy: 0.6541288182797398
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Energy: 0.717311874655637
Energy: 0.7234243691570803
Energy: 0.7118003407943762
Energy: 0.6312299246843548
Energy: 0.6306003039897193
Energy: 0.6391497904269899
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Energy: 0.6428608775459078
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Energy: 0.7517073579672873
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Energy: 0.7578997781006525
Energy: 0.6410311700109153
Energy: 0.707514235438178
Energy: 0.7513059832371166
Energy: 0.7565939523188269
Energy: 0.6728054464938041
Energy: 0.6351137407976364
Energy: 0.6713651102503669
Energy: 0.6768292816339477
Energy: 0.6359191642139709
Energy: 0.6344569772534572
Energy: 0.6342252384932018
Energy: 0.7227231563624026
Energy: 0.6601292412904723
Energy: 0.6396092074096176
Energy: 0.6345264099838184
Energy: 0.6452914672489153
Energy: 0.644060045488904
Energy: 0.631626167277467
Energy: 0.7110398625055983
Energy: 0.6349921952887615
Energy: 0.6353169465637956
Energy: 0.6441815370762963
Energy: 0.6318469117786127
Energy: 0.700816626892549
Energy: 0.6348277043599574
Energy: 0.634943969460558
Energy: 0.6859874159334505
Energy: 0.6843059212423115
Energy: 0.6344697637272497
Energy: 0.6751021109017817
Energy: 0.669745921872386
Energy: 0.6834624077051019
Energy: 0.6842898230024131
Energy: 0.6344856204171319
Energy: 0.6471996719575784
Energy: 0.6717717007381596
Energy: 0.6345960444431344
Energy: 0.6343049454199354
Energy: 0.6839008669047865
Energy: 0.755907549312828
Energy: 0.6322860263365336
Energy: 0.6350368212538765
Energy: 0.6370528618787823
Energy: 0.6852244951960167
Energy: 0.7547356210839804
Energy: 0.6324058532382361
Energy: 0.6350751612300731
Energy: 0.637040533759625
Energy: 0.6348903094199358
Energy: 0.6344507415161424
Energy: 0.6894558040241601
Energy: 0.6349109344993898
Energy: 0.6392092891808387
Energy: 0.6371973435815838
Energy: 0.6350307100621368
Energy: 0.66682448737607
Energy: 0.6407579654207987
Energy: 0.6341518113640321
Energy: 0.7213753686832975
Energy: 0.7157070469534674
Energy: 0.6792607450057625
Energy: 0.640961488775222
Energy: 0.6624907684180735
Energy: 0.7196819631394593
Energy: 0.70495482822744
Energy: 0.6561547220741197
Energy: 0.6358968543163749
Energy: 0.7196021251229308
Energy: 0.6347169409655524
Energy: 0.6914470732445666
Energy: 0.6290916094159885
Energy: 0.6350584036334467
Energy: 0.7151568772333792
Energy: 0.6348203561396976
Energy: 0.6843731626119964
Energy: 0.6292322774987945

minimum gb energy = 0.6266405498560967 eV
minimum distance =  2.5469937914637 Angstroms
sigma value = 437


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

Energy: 0.8438926504144985
Energy: 0.6220807052927237
Energy: 0.6921800977565254
Energy: 0.685338680028434
Energy: 0.6203909799137188
Energy: 0.8445972626974434
Energy: 0.6157802507803487
Energy: 0.6927464612236077
Energy: 0.6054230074622072
Energy: 0.731463149693419
Energy: 0.6002267139282611
Energy: 0.7453855864899211
Energy: 0.7113153149752919
Energy: 0.7121962630475636
Energy: 0.7190290170301985
Energy: 0.6056792971996537
Energy: 0.7902526551857101
Energy: 0.7120532633834407
Energy: 0.7932069356698723
Energy: 0.6687813979229922
Energy: 0.670608960008354
Energy: 0.6814364313185218
Energy: 0.8027238075307996
Energy: 0.6563257865645898
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Energy: 0.6717479456854861
Energy: 0.6684351854769447
Energy: 0.8022935779792274
Energy: 0.6556918536967258
Energy: 0.6597749118324536
Energy: 0.6719244686782876
Energy: 0.6745708702579651
Energy: 0.7854078459738068
Energy: 0.6748513150753958
Energy: 0.6613131353966639
Energy: 0.6725592833401749
Energy: 0.605919509406016
Energy: 0.8039279950396097
Energy: 0.604541602691357
Energy: 0.6609351831490897
Energy: 0.6761406175470573
Energy: 0.7487534526414371
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Energy: 0.6762201802830075
Energy: 0.7979917083053104
Energy: 0.6516795379184235
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Energy: 0.6059305068673458
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Energy: 0.6650158281629426
Energy: 0.6662574126078431
Energy: 0.8453747133659609
Energy: 0.6762182800567413
Energy: 0.6744495888867603
Energy: 0.6559453283168811
Energy: 0.6687441446695706
Energy: 0.7381026170162545
Energy: 0.677566347890393
Energy: 0.6731184937544348
Energy: 0.6587550676492419
Energy: 0.6687395224531323
Energy: 0.6650702025322984
Energy: 0.6802272176363426
Energy: 0.6756605147861566
Energy: 0.6544443390992221
Energy: 0.779200277683834
Energy: 0.7842438831773524
Energy: 0.6801373862116655
Energy: 0.6761322650830394
Energy: 0.649891840222008
Energy: 0.7795139284731124
Energy: 0.7323027802611725
Energy: 0.6350029692788601
Energy: 0.7800076431491489
Energy: 0.608524181693358
Energy: 0.7999830357347764
Energy: 0.6540275902162576
Energy: 0.6353722927199991
Energy: 0.7810217328792145
Energy: 0.6136300909933765
Energy: 0.8075173753664299
Energy: 0.655182757752157
Energy: 0.6557889671919805
Energy: 0.7759941230569577
Energy: 0.6088152831112278
Energy: 0.602307940065233
Energy: 0.7986972068188284
Energy: 0.6757539347271717
Energy: 0.6760174659892494
Energy: 0.608105196701493
Energy: 0.6017556791369952
Energy: 0.7265782851150583
Energy: 0.6074152275147618
Energy: 0.6059242197092318
Energy: 0.6049026048152556
Energy: 0.8497384202663851
Energy: 0.6040673196795467
Energy: 0.6066469764760173
Energy: 0.605831005110441
Energy: 0.6056325558753365
Energy: 0.8502538360192814
Energy: 0.6553131681743051
Energy: 0.6122164110365304
Energy: 0.6143810916543562
Energy: 0.6091928128116862
Energy: 0.8354440933940447
Energy: 0.6061614738019868
Energy: 0.6110372470648211
Energy: 0.6125197276711488
Energy: 0.6104504386675034
Energy: 0.7286479828532558
Energy: 0.6052260944851778
Energy: 0.6078410390587334
Energy: 0.6084371799175023
Energy: 0.7806093857587625
Energy: 0.8018035352145272
Energy: 0.6805797359837827
Energy: 0.6082861279977414
Energy: 0.6505146106774484
Energy: 0.7798964628426137
Energy: 0.7988429920677301
Energy: 0.6813656529064581
Energy: 0.7073007353139142
Energy: 0.6085350852286102
Energy: 0.786363067586828
Energy: 0.6052150080339805
Energy: 0.6208338609515028
Energy: 0.7080929563705138
Energy: 0.6078697569057561
Energy: 0.7865253751302785
Energy: 0.604653362744988
Energy: 0.6852568470118903

minimum gb energy = 0.6002267139282611 eV
minimum distance =  2.61941652738963 Angstroms
sigma value = 33