Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000
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=4.081654928624631
cohesive_energy=3.5802802150217286
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=[1.9605194599604399e-19, 2.6648202865004994e-19, 3.15763379735256e-19, 3.5697136276173596e-19, 3.9336160064977796e-19, 4.2421631826734995e-19, 4.49468224195824e-19, 4.70064204825894e-19, 4.87034459733222e-19, 5.01172066351638e-19, 5.130570126226499e-19, 5.2313470365051e-19, 5.31756016118064e-19, 5.39207739642798e-19, 5.457109746002039e-19, 5.51425938653682e-19, 5.564583754610759e-19, 5.60859554674674e-19, 5.64642293707548e-19, 5.6780659255969795e-19, 5.70323612051712e-19, 5.721372760014e-19, 5.732219495826179e-19, 5.735792349719999e-19, 5.73196314756474e-19, 5.71973853984732e-19, 5.698061089989299e-19, 5.665921426711259e-19, 5.62210189577136e-19, 5.56509645113364e-19, 5.49344711206116e-19, 5.405391484256519e-19, 5.29876662926382e-19, 5.1707847597399e-19, 5.0177448476602195e-19, 4.834519927795979e-19, 4.6141084882566e-19, 4.347089730434159e-19, 4.0213672207419596e-19, 3.62167221585798e-19, 3.1287465526415395e-19, 2.51748412323786e-19, 1.75411104420222e-19, 7.91989555895514e-20]
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: 2.2204e-16 eV

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

Energy: 0.012253696134769534
Energy: 0.0132727547453894
Energy: 0.06657394693628853
Energy: 0.06580896301232798
Energy: 0.013173305489821296
Energy: 0.01307839262377481
Energy: 0.06604282518092691
Energy: 0.06595725273063333
Energy: 0.06646488235086495
Energy: 0.013045385294472566
Energy: 0.013723166978038402
Energy: 0.06563059418433645
Energy: 0.06626126016050318
Energy: 0.06610285688085524
Energy: 0.06672071353292194
Energy: 0.06608952002876166
Energy: 0.0658537264797614
Energy: 0.06567467769089776
Energy: 0.06551568917422812
Energy: 0.06646207529323463
Energy: 0.0654484294203104
Energy: 0.01296976226037986
Energy: 0.012503583851650102
Energy: 0.06588094021758313
Energy: 0.06601281087518512
Energy: 0.06688721580514247
Energy: 0.012805366483586388
Energy: 0.012513111158188947
Energy: 0.06596650163452146
Energy: 0.06637823754022781
Energy: 0.06605654690801728
Energy: 0.012837227850242734
Energy: 0.012594945206962423
Energy: 0.06560107922303206
Energy: 0.06594191967491814
Energy: 0.06624039848321943
Energy: 0.012916164889063692
Energy: 0.012724699320655978
Energy: 0.0653684449882067
Energy: 0.06579774281974657
Energy: 0.06596228354120215
Energy: 0.06630253467932049
Energy: 0.06560060205869274
Energy: 0.012696835336688223
Energy: 0.012689234832863648
Energy: 0.06581220046456464
Energy: 0.06654248175908224
Energy: 0.06559791073874272
Energy: 0.012768552404737352
Energy: 0.06539903032644882
Energy: 0.06549674545821343
Energy: 0.0654751522890528
Energy: 0.06614603300298465
Energy: 0.012664489647305033
Energy: 0.013145702260789744
Energy: 0.06556376916926263
Energy: 0.06537287537117314
Energy: 0.06648095279424848
Energy: 0.012720461214254934
Energy: 0.013405364954300203
Energy: 0.013488998347907349
Energy: 0.06554544651506387
Energy: 0.06596528733861501
Energy: 0.06621819069773198
Energy: 0.06585958503047573
Energy: 0.013484164034549044
Energy: 0.0656777012112491
Energy: 0.06595943401161329
Energy: 0.06642801617543923
Energy: 0.06606316997936898

minimum gb energy = 0.012253696134769534 eV
minimum distance =  2.84933023371741 Angstroms
sigma value = 3


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

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Energy: 0.4136377586595837
Energy: 0.40899692644132996
Energy: 0.40835252195032684
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Energy: 0.45847344192498285
Energy: 0.4099095212181507
Energy: 0.4083948168191317
Energy: 0.4096043986581982
Energy: 0.4120534588801565
Energy: 0.37428918231664016
Energy: 0.43376423236175815
Energy: 0.4096374762175417
Energy: 0.41725331932964094
Energy: 0.39266297918759413
Energy: 0.39740274387659313
Energy: 0.41948865601985014
Energy: 0.44186782998895974
Energy: 0.41730938996482875
Energy: 0.40830087929253017
Energy: 0.3833680519061683
Energy: 0.42550704482294865
Energy: 0.35863480755325633
Energy: 0.3987779016863165
Energy: 0.3896944979094349
Energy: 0.38210082099142245
Energy: 0.42494357289500934
Energy: 0.3604129131090266
Energy: 0.3807882637655096
Energy: 0.41556172754582377
Energy: 0.40065153467374803
Energy: 0.4136111931115009
Energy: 0.35938108015665554
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Energy: 0.36054450211053746
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Energy: 0.4125652594004052
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Energy: 0.43797226657047894
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Energy: 0.4273555490229993
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Energy: 0.435634878324682
Energy: 0.42798883741908267
Energy: 0.42696046386846664
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Energy: 0.4258056356294629
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Energy: 0.4376249743377984
Energy: 0.4291637242111243
Energy: 0.43011582511006846
Energy: 0.36325631483858184
Energy: 0.3560738056081289
Energy: 0.43506078615369126
Energy: 0.42888905479718975
Energy: 0.4317518509046739
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Energy: 0.3637655318655825
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Energy: 0.3586685222472388
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Energy: 0.4241635373781469
Energy: 0.4301256049311553
Energy: 0.38338585368221667
Energy: 0.38098789634013697
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Energy: 0.4071406776861173
Energy: 0.38456800948091907
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Energy: 0.40191016705394017
Energy: 0.35844615605465974
Energy: 0.39945288526290346
Energy: 0.38465491111920125
Energy: 0.3764474214158439
Energy: 0.40115110450325664
Energy: 0.35803772790771227
Energy: 0.39495577370534746
Energy: 0.3852171521499947
Energy: 0.3797879610720784
Energy: 0.3981782757761126
Energy: 0.3586690993205041
Energy: 0.39140541732390977
Energy: 0.37682370819314837
Energy: 0.37606257547017463
Energy: 0.3759895739517851
Energy: 0.3582564360239941
Energy: 0.45095780958202875
Energy: 0.35828034019866345
Energy: 0.37135695056017765
Energy: 0.4174481566190336
Energy: 0.4053125132722938
Energy: 0.460016962564462
Energy: 0.3513678162218895
Energy: 0.3735861966032664
Energy: 0.4298134231806642
Energy: 0.40777190889190756
Energy: 0.45739578624798294
Energy: 0.4557290141497123
Energy: 0.43613169254723566
Energy: 0.4228303347019573
Energy: 0.43340515050455947
Energy: 0.43510115847906977
Energy: 0.3893083033442669
Energy: 0.43642470545665163
Energy: 0.40790481357725483
Energy: 0.43362961403907374
Energy: 0.40568914291294683
Energy: 0.4100010057951171
Energy: 0.41418704696751385
Energy: 0.4442406530806322
Energy: 0.4616838194243759
Energy: 0.38049779378765214
Energy: 0.39122152870229177
Energy: 0.41484476566079054
Energy: 0.4477378405057317
Energy: 0.46759728823335667
Energy: 0.43958153554553614
Energy: 0.41135943718921486
Energy: 0.40963303791689837
Energy: 0.41032079475319444
Energy: 0.4106458563869899
Energy: 0.4522191429057359
Energy: 0.4136791227778791
Energy: 0.4080168292854397
Energy: 0.4102082313802898
Energy: 0.4416920073337964

minimum gb energy = 0.3513678162218895 eV
minimum distance =  2.54704218050826 Angstroms
sigma value = 75


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

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Energy: 0.3704897290588164
Energy: 0.38073808097769396
Energy: 0.41804474811847875
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minimum gb energy = 0.36353898959340275 eV
minimum distance =  2.54912087427094 Angstroms
sigma value = 105


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

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Energy: 0.4274626690547108
Energy: 0.4252349062755263
Energy: 0.39911175364439777
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Energy: 0.39799170405083284
Energy: 0.4200678465544363
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Energy: 0.3987455676564074
Energy: 0.40844756481259387
Energy: 0.39802404996042634
Energy: 0.42051986496291055
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Energy: 0.3990884929485238
Energy: 0.4047878069165741
Energy: 0.40556171892315057
Energy: 0.3952490046343892
Energy: 0.3988059553249066
Energy: 0.3985927472092033
Energy: 0.40070056155244976
Energy: 0.39686144345458013
Energy: 0.3989006872935065
Energy: 0.43058564215548134
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Energy: 0.399241183665092
Energy: 0.40040758311575014
Energy: 0.39551797411601813
Energy: 0.40256475855324747
Energy: 0.4014175315229782
Energy: 0.39826699819967554
Energy: 0.3996373306799953
Energy: 0.3990222737157497
Energy: 0.4206547105801259
Energy: 0.38415884255435184
Energy: 0.4152355476720927
Energy: 0.4165533417176197
Energy: 0.40811858839362325
Energy: 0.3999001912472721
Energy: 0.38204573799906405
Energy: 0.41349996354986895
Energy: 0.4230884111460853
Energy: 0.41679738302425434
Energy: 0.4143502181277078
Energy: 0.4087760442821476
Energy: 0.4116068003676699
Energy: 0.41769014817525346
Energy: 0.41725147508613664
Energy: 0.42293964481362756
Energy: 0.4085134480593101
Energy: 0.4207901850778677
Energy: 0.4183248304673682
Energy: 0.4143219252445217
Energy: 0.3976902302260813
Energy: 0.3993244958587141
Energy: 0.3773021167846732
Energy: 0.37809458558504644
Energy: 0.41308354464939495
Energy: 0.3917626603307817
Energy: 0.3998159743110723
Energy: 0.3808601711737498
Energy: 0.3780827473202409
Energy: 0.41839574067380597
Energy: 0.3961480906473214
Energy: 0.3777154706042753
Energy: 0.38161591818107177
Energy: 0.37708258693733293
Energy: 0.3920614743460815
Energy: 0.403151579764999
Energy: 0.37793378683310247
Energy: 0.37799962310883783
Energy: 0.3774931611290407
Energy: 0.3959216327325377

minimum gb energy = 0.37034372912693214 eV
minimum distance =  2.53260502852893 Angstroms
sigma value = 165


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

Energy: 0.476252397942649
Energy: 0.35739797993670175
Energy: 0.3621276839242428
Energy: 0.38523611334607727
Energy: 0.3565361595459978
Energy: 0.47565919819854224
Energy: 0.3630321355120831
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Energy: 0.3854260257849974
Energy: 0.3559863154720415
Energy: 0.3582824257496618
Energy: 0.3867415957140902
Energy: 0.37883438056128566
Energy: 0.3807745265845716
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Energy: 0.386068854681141
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Energy: 0.38193766262396506
Energy: 0.399961317873816
Energy: 0.38196064768230603
Energy: 0.38492286429674993
Energy: 0.3767244461548573
Energy: 0.36312509354513517
Energy: 0.395884949682094
Energy: 0.38217303745494646
Energy: 0.3850867955458137
Energy: 0.3779025973803295
Energy: 0.3821503042377014
Energy: 0.3973682806400906
Energy: 0.43716067159090566
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Energy: 0.37999810834316694
Energy: 0.3917198978158594
Energy: 0.39979353206624313
Energy: 0.378319518888977
Energy: 0.38417185529302034
Energy: 0.39186467435288963
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Energy: 0.3999150288931453
Energy: 0.38551118997333234
Energy: 0.38332123621413594
Energy: 0.3925008618085516
Energy: 0.3785835051325913
Energy: 0.3933287043710487
Energy: 0.38510484358921
Energy: 0.3781968668598827
Energy: 0.4213128585617352
Energy: 0.47733517295141814
Energy: 0.38167093423994464
Energy: 0.3857146345504592
Energy: 0.3818237224153409
Energy: 0.39986114809701884
Energy: 0.4777204174187529
Energy: 0.3821219257782736
Energy: 0.39915253088510444
Energy: 0.38760806234494727
Energy: 0.38435310052241267
Energy: 0.35682648237796366
Energy: 0.387989743472949
Energy: 0.3785040673685817
Energy: 0.38585534972498353
Energy: 0.3846932708691323
Energy: 0.3832257699116396
Energy: 0.3837004022996594
Energy: 0.3807581986288672
Energy: 0.36541224175246556
Energy: 0.3784943208751503
Energy: 0.36293879482394514
Energy: 0.37876255826891597
Energy: 0.37977149608756045
Energy: 0.3784289434353127
Energy: 0.37785823302051547
Energy: 0.3629265068028786
Energy: 0.4000527115396203
Energy: 0.3827229950318441
Energy: 0.3621499139539979
Energy: 0.3553367992490337
Energy: 0.3781926705616051
Energy: 0.40082813313256793
Energy: 0.3828339507456418
Energy: 0.3656014102397496
Energy: 0.35681139804171536
Energy: 0.3787205375995676
Energy: 0.3583626438098779
Energy: 0.3914194177791032
Energy: 0.38518131042163894
Energy: 0.3649138273770928
Energy: 0.38726377642668575
Energy: 0.37975713505997033
Energy: 0.39110664761392566
Energy: 0.3843521274034284
Energy: 0.3637345885144771
Energy: 0.38749085623065366

minimum gb energy = 0.3553367992490337 eV
minimum distance =  2.58741603753268 Angstroms
sigma value = 41


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

Energy: 0.3775524129117067
Energy: 0.3521830224830164
Energy: 0.34233515219190025
Energy: 0.34054940029793984
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Energy: 0.3769969412824214
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Energy: 0.37269396126359433
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Energy: 0.35429534114441835
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Energy: 0.36568992383892784
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Energy: 0.36003613998303446
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Energy: 0.356310013860202
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Energy: 0.37770943365838267
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Energy: 0.36611995061568203
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Energy: 0.3649012814888725
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Energy: 0.40653251649408895
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Energy: 0.3788667419798805
Energy: 0.3848126105959814
Energy: 0.38231381634269135
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Energy: 0.33531595616646837
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Energy: 0.36140542116555485
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Energy: 0.3652483318526498
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Energy: 0.36671536317462833
Energy: 0.38859528283893346
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Energy: 0.371254881136621
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Energy: 0.3507972625217262
Energy: 0.3491159617098435
Energy: 0.357579263779519
Energy: 0.3705911594905503
Energy: 0.34549303358451533
Energy: 0.35218947682917295
Energy: 0.34736278528133124
Energy: 0.33515242499533915
Energy: 0.3651391306644739
Energy: 0.34036282857163813
Energy: 0.35017761802773706
Energy: 0.34571201212707686
Energy: 0.3355503815640957
Energy: 0.352131104629657
Energy: 0.33919466689273764
Energy: 0.35620669344192013
Energy: 0.36070510130267747
Energy: 0.3690012646975529
Energy: 0.3785674733293908
Energy: 0.3503958981755942
Energy: 0.34429505479930217
Energy: 0.33473350840956795
Energy: 0.3531132783907849
Energy: 0.36282357370793006
Energy: 0.3556300817556926
Energy: 0.3350018996706623
Energy: 0.34507302336004364
Energy: 0.35321886004405295
Energy: 0.35884231885837037
Energy: 0.3549728487904345
Energy: 0.35691168497782333
Energy: 0.35248209535772534
Energy: 0.38694795231320417
Energy: 0.33820447834757544
Energy: 0.34293507028454123
Energy: 0.3405242911471292
Energy: 0.3557717371006536

minimum gb energy = 0.3333992255844387 eV
minimum distance =  2.61694519709353 Angstroms
sigma value = 185


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

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Energy: 0.272976735715416
Energy: 0.24814191139282873
Energy: 0.24573901374018645
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Energy: 0.24848943633055215
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Energy: 0.2586368353315479
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Energy: 0.2536016123421662
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Energy: 0.22500058860674912
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Energy: 0.2574436071606817
Energy: 0.26905503702100886
Energy: 0.1903930472065141
Energy: 0.17949292406879205
Energy: 0.248295361288259
Energy: 0.28998860260463954
Energy: 0.28385606705522076
Energy: 0.21712824061769867
Energy: 0.22188389454334667
Energy: 0.24099123789987822
Energy: 0.2553189360470412
Energy: 0.2558523692300324
Energy: 0.24900473682142307
Energy: 0.25922520663057586
Energy: 0.2585258363864052
Energy: 0.24183659666365157
Energy: 0.22854443298377541
Energy: 0.227023197657122
Energy: 0.22768408638544696
Energy: 0.2568192073478065
Energy: 0.3537060820765967
Energy: 0.25745877843784376
Energy: 0.277928072750505
Energy: 0.24808983096598106
Energy: 0.23215460037509114
Energy: 0.23236121025013887
Energy: 0.2579396236103601
Energy: 0.184244953945442
Energy: 0.22833076248233827
Energy: 0.2542494260714312
Energy: 0.263052868525391
Energy: 0.27615125503221616

minimum gb energy = 0.1380606378966321 eV
minimum distance =  2.60647157459216 Angstroms
sigma value = 33


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

Energy: 0.3414468036312395
Energy: 0.31982489131752684
Energy: 0.31283540195798315
Energy: 0.3131127056767723
Energy: 0.31861454190445143
Energy: 0.33963743174355243
Energy: 0.31695493811692105
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Energy: 0.33127203596065735
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Energy: 0.32969909815174164
Energy: 0.3185072553557015
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Energy: 0.33187673217428937
Energy: 0.31810143444560973
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Energy: 0.31800592821891654
Energy: 0.31418518337264945
Energy: 0.31753430811055455
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Energy: 0.3357567205115294
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Energy: 0.3185733224644026
Energy: 0.316257446721253
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Energy: 0.321610431553144
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Energy: 0.32077792862664756
Energy: 0.32924583066714
Energy: 0.31774025818323876
Energy: 0.3192346764601424
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Energy: 0.3335919889202822
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Energy: 0.3198296127652707
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Energy: 0.3201628281738794
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Energy: 0.3202385362069414
Energy: 0.319636512712574
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Energy: 0.3229034310890606
Energy: 0.35677607483870627
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Energy: 0.31815434498663103
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Energy: 0.32923379916567785
Energy: 0.3195161401378261
Energy: 0.3337326598253023
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Energy: 0.3192325129049894
Energy: 0.33014855835987034
Energy: 0.32561367282900794
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Energy: 0.32035839301911184
Energy: 0.3212695024118684
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Energy: 0.31315818464058537
Energy: 0.31821781353052786
Energy: 0.31717658924946335
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Energy: 0.317560119499548
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Energy: 0.32996429077175765
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Energy: 0.32794102089399807
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Energy: 0.31696625642574455
Energy: 0.3169418100440502
Energy: 0.3129850264216516
Energy: 0.3363493249888616
Energy: 0.32017119076329204

minimum gb energy = 0.30834203139039396 eV
minimum distance =  2.53370044091003 Angstroms
sigma value = 219


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

Energy: 0.5684366014320035
Energy: 0.3942724970155785
Energy: 0.3794916070034609
Energy: 0.3786606976639323
Energy: 0.3931951222895901
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Energy: 0.37835439506941243
Energy: 0.3994459251917466
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Energy: 0.37909163669604046
Energy: 0.37794728098821767
Energy: 0.3998308551585146
Energy: 0.39274080462672095
Energy: 0.4010840956371243
Energy: 0.37850667660348675
Energy: 0.37819302754422696
Energy: 0.3930506696624723
Energy: 0.3911392238900514
Energy: 0.4011900915068721
Energy: 0.400263466077792
Energy: 0.37830961645894684
Energy: 0.3923808432256482
Energy: 0.3914494698592034
Energy: 0.39910860951806537
Energy: 0.4074941335931164
Energy: 0.37845792772374387
Energy: 0.3925717973430167
Energy: 0.3977122338290691
Energy: 0.3925796350629962
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Energy: 0.393094031456998
Energy: 0.3990497691514429
Energy: 0.3922704984204839
Energy: 0.3724069804784376
Energy: 0.3707045030727445
Energy: 0.3927227455667329
Energy: 0.39904929503906666
Energy: 0.3927253691612986
Energy: 0.3930382017520027
Energy: 0.40647970801733413
Energy: 0.40740606219535325
Energy: 0.4003821297578697
Energy: 0.3964011715039786
Energy: 0.393216175282738
Energy: 0.40643503506289913
Energy: 0.40703673784863276
Energy: 0.40011119806171314
Energy: 0.371216028408872
Energy: 0.38209178348095535
Energy: 0.39931526158490516
Energy: 0.395624855761737
Energy: 0.3999874372881432
Energy: 0.3717365784275075
Energy: 0.38221062137624073
Energy: 0.3993750797423828
Energy: 0.39917858591344774
Energy: 0.3927542318583762
Energy: 0.39957956111853704
Energy: 0.3831295965619425
Energy: 0.37838004632770456
Energy: 0.39294234072919726
Energy: 0.3974937526897933
Energy: 0.39982477598383026
Energy: 0.3829585163936119
Energy: 0.4011126600892682
Energy: 0.39270489910956186
Energy: 0.39483364702307944
Energy: 0.3931974276317358
Energy: 0.39981044907188756
Energy: 0.3791041341173199
Energy: 0.379226848421429
Energy: 0.39216783874551875
Energy: 0.40728845875146924
Energy: 0.4000705247126642
Energy: 0.3790009903640121
Energy: 0.37937294268953287
Energy: 0.39208614924702334

minimum gb energy = 0.3707045030727445 eV
minimum distance =  2.61736395879816 Angstroms
sigma value = 15


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

Energy: 0.6832646505001512
Energy: 0.44139011487214797
Energy: 0.44865526633648783
Energy: 0.4422218312854009
Energy: 0.46799659462760596
Energy: 0.4233264457813751
Energy: 0.44335211324135737
Energy: 0.4425201144534217
Energy: 0.45533098858837523
Energy: 0.4585882411654665
Energy: 0.4386623158148828
Energy: 0.4377005368396703
Energy: 0.4339577062266612
Energy: 0.4328438557055232
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minimum gb energy = 0.41907232862295635 eV
minimum distance =  2.54278693593107 Angstroms
sigma value = 293


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

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Energy: 0.43784550346767087
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Energy: 0.42284904547272506
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Energy: 0.4178417195388102
Energy: 0.42048850869877963
Energy: 0.42696112366177225
Energy: 0.4323853154193828
Energy: 0.4452972012037563
Energy: 0.4348179118759053
Energy: 0.4458414094657705
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Energy: 0.4343233087500752
Energy: 0.45497163971169424
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Energy: 0.4561855829504403
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Energy: 0.46422215473311396
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Energy: 0.4351955172549274
Energy: 0.40477035370064
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Energy: 0.422599108184436
Energy: 0.42359520649648574
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Energy: 0.419195697932836
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Energy: 0.4532302082664927
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Energy: 0.4443924379654645
Energy: 0.42649506425163913
Energy: 0.40650908139533987
Energy: 0.4354923339730268
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Energy: 0.44450991027690456
Energy: 0.4060237032584693
Energy: 0.437726758410903
Energy: 0.4233875280210096
Energy: 0.4443120607875946
Energy: 0.421042927052185
Energy: 0.4061494611920064
Energy: 0.4499784570722586
Energy: 0.424431783549821
Energy: 0.42294885751852734
Energy: 0.44699151012142674
Energy: 0.40894464010082165
Energy: 0.4476268300331079
Energy: 0.42407326156687825
Energy: 0.42285839747949394
Energy: 0.4434177617271356
Energy: 0.40900709468475566
Energy: 0.4216021307456621
Energy: 0.41964958872964614
Energy: 0.42462896713454307
Energy: 0.45043037108750045
Energy: 0.42610738356332045
Energy: 0.4212255696682196
Energy: 0.4210744005924185
Energy: 0.42352468819731914
Energy: 0.4318664692124436
Energy: 0.44649542107087603
Energy: 0.43931633473869025
Energy: 0.4387482609947547
Energy: 0.44029859601340043
Energy: 0.4209656537218696
Energy: 0.4221849033313129
Energy: 0.4391081834853623
Energy: 0.4368196168894833
Energy: 0.44096645919489785
Energy: 0.42065845098906735
Energy: 0.4207558244361802
Energy: 0.4314524152628735
Energy: 0.43133479321414275
Energy: 0.4619606291635465
Energy: 0.4250670910642702
Energy: 0.4453211933016631
Energy: 0.4315513892147774
Energy: 0.4317623656076396
Energy: 0.4629791863047649
Energy: 0.4417808918923786
Energy: 0.44597317822761917
Energy: 0.43367962892416406
Energy: 0.44049374175018885
Energy: 0.4197796591065515
Energy: 0.4217687785239286
Energy: 0.4462967035501866
Energy: 0.43223364309044005
Energy: 0.4381935490107406
Energy: 0.42210563730422124
Energy: 0.4318341009718637
Energy: 0.46414352513775126
Energy: 0.40749290649783343
Energy: 0.44876925274600593
Energy: 0.42313352584262576
Energy: 0.41981956907623535
Energy: 0.4457483345104871
Energy: 0.4433401322126298
Energy: 0.4512022732479431
Energy: 0.42015259072805494
Energy: 0.41989013200552305
Energy: 0.43584134580524825

minimum gb energy = 0.40455332584370274 eV
minimum distance =  2.53380588201358 Angstroms
sigma value = 293


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

Energy: 0.40281274330895345
Energy: 0.4214735368468608
Energy: 0.41885997155416554
Energy: 0.419844001021475
Energy: 0.4201224769464808
Energy: 0.40325363009426
Energy: 0.41994770944625365
Energy: 0.45918838819355795
Energy: 0.4192118000186938
Energy: 0.41945064693316225
Energy: 0.40538419688174654
Energy: 0.41778683018830626
Energy: 0.424726438134685
Energy: 0.425482060325667
Energy: 0.42568705608296986
Energy: 0.44875552339792985
Energy: 0.4176330897121251
Energy: 0.4188468307225859
Energy: 0.4258206283424253
Energy: 0.42668330569574253
Energy: 0.419735518949333
Energy: 0.4202177122909684
Energy: 0.41788135316239666
Energy: 0.4194363373840499
Energy: 0.44476902900017995
Energy: 0.42698876577094236
Energy: 0.423260012322326
Energy: 0.41788945459459453
Energy: 0.4608609328617082
Energy: 0.4438295570799344
Energy: 0.46038965326509984
Energy: 0.40400487995111883
Energy: 0.405498142550581
Energy: 0.4268830779173073
Energy: 0.4472235166045883
Energy: 0.44488167405998824
Energy: 0.40351559899923356
Energy: 0.4183730302505264
Energy: 0.42694650623280256
Energy: 0.40887454090597924
Energy: 0.4192511862866825
Energy: 0.42037350023716147
Energy: 0.40347952311163215
Energy: 0.4241895347748038
Energy: 0.41811959861169856
Energy: 0.4193346179528579
Energy: 0.4196261544822344
Energy: 0.403456231912331
Energy: 0.4483637373122278
Energy: 0.4183420893199374
Energy: 0.41976265475481156
Energy: 0.45902098041187617
Energy: 0.4200012695115081
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Energy: 0.4210421595299815
Energy: 0.4191627110166494
Energy: 0.4591614554341625
Energy: 0.4198077057567174
Energy: 0.41881628429625795
Energy: 0.4213793021182215
Energy: 0.41882792436610267
Energy: 0.4101108600178523
Energy: 0.42571139061798724
Energy: 0.41924943054112707
Energy: 0.44810286606912797
Energy: 0.41857806443661183
Energy: 0.4067175421749095
Energy: 0.4254749596906527
Energy: 0.4170225522748412
Energy: 0.4495704038250186
Energy: 0.4259157175699909
Energy: 0.4436977913407242
Energy: 0.4192474686492885
Energy: 0.40327162239197756
Energy: 0.42105703929938304
Energy: 0.42721861020271795
Energy: 0.44267023449798465
Energy: 0.41923376882624047
Energy: 0.4030875659637876
Energy: 0.4221901963406576
Energy: 0.41859368617336556
Energy: 0.41829577436466203
Energy: 0.42555991016744554
Energy: 0.40477917484844084
Energy: 0.45280634715850804
Energy: 0.41678849028701637
Energy: 0.42606114538555107
Energy: 0.4260622070525996
Energy: 0.40378551596324574
Energy: 0.41763424991721176
Energy: 0.41914734298596124
Energy: 0.4193440109228971
Energy: 0.44295075546735707
Energy: 0.41859607822420963
Energy: 0.4205850543295694
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Energy: 0.4191174962278096
Energy: 0.4431801462231276
Energy: 0.4271721851989162
Energy: 0.4200797205686977
Energy: 0.40431529366941904
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Energy: 0.41787425346786006
Energy: 0.418150148814574
Energy: 0.41972001926693225
Energy: 0.40409547555932585
Energy: 0.42601432029534847
Energy: 0.4070452369190036
Energy: 0.4184066148120404
Energy: 0.41796221148105944
Energy: 0.40291575600515145
Energy: 0.4198488287401227
Energy: 0.46531568979329563
Energy: 0.41895482488832064
Energy: 0.42033429452863585
Energy: 0.4033870927671486
Energy: 0.42015000755086124
Energy: 0.41826194153661217
Energy: 0.4197171826356829
Energy: 0.4196289224171685
Energy: 0.453560973472148
Energy: 0.4179312411502363
Energy: 0.4239615372564268
Energy: 0.42565963687511643
Energy: 0.4262440801972581
Energy: 0.44916897003746153
Energy: 0.41762815561745004
Energy: 0.41961165911976717
Energy: 0.42571319190484413
Energy: 0.4276901793049629
Energy: 0.41926802222242304
Energy: 0.4201866206476264
Energy: 0.4178712221646337
Energy: 0.4194742978350338
Energy: 0.4426696958398031
Energy: 0.42669226576461744
Energy: 0.4225937608558136
Energy: 0.4176929248359003
Energy: 0.4590148396257391
Energy: 0.4438654802707565
Energy: 0.45940657098675713
Energy: 0.403852471517054
Energy: 0.4044895746362741
Energy: 0.42648756282851735
Energy: 0.44629484460002594
Energy: 0.4605591465305234
Energy: 0.40352843659870435
Energy: 0.4181607531800943
Energy: 0.4269715920759311
Energy: 0.447901009966239
Energy: 0.41941478761780987
Energy: 0.4206881341744273
Energy: 0.40348549246037446
Energy: 0.4469363469297118
Energy: 0.4182837100355404
Energy: 0.4262224092339239
Energy: 0.420062759843943
Energy: 0.4038779919500802
Energy: 0.4207557826122065
Energy: 0.41843670867700505
Energy: 0.4198047779450755
Energy: 0.45841336263975047
Energy: 0.4196062381756304
Energy: 0.4186351859146785
Energy: 0.41985034138218713
Energy: 0.41919667433809077
Energy: 0.4582478482145215
Energy: 0.42018736738569046
Energy: 0.418426502951345
Energy: 0.42087261803882653
Energy: 0.41845918242807484
Energy: 0.41001221430090157
Energy: 0.42529884594690426
Energy: 0.4188196133229588
Energy: 0.44209166390006693
Energy: 0.418283280580459
Energy: 0.4069437320024638
Energy: 0.4256135774979308
Energy: 0.4165008220248938
Energy: 0.44159885887138284
Energy: 0.4263943374424954
Energy: 0.444355927697657
Energy: 0.419022876497967
Energy: 0.40324912433898163
Energy: 0.4210298987210412
Energy: 0.4268747150332054
Energy: 0.4429054311087701
Energy: 0.4191730166928573
Energy: 0.40310460933103104
Energy: 0.42230327031040116
Energy: 0.4187344323793114
Energy: 0.41865127754768156
Energy: 0.425944317142054
Energy: 0.4048063423687096
Energy: 0.45125770829951933
Energy: 0.4172412662796855
Energy: 0.425682799344406
Energy: 0.42623986180145446
Energy: 0.40415316668134077
Energy: 0.4170890000856304
Energy: 0.4198863348230101
Energy: 0.4194918470289081
Energy: 0.44293308878337473
Energy: 0.4177730636401588
Energy: 0.4202696231526442
Energy: 0.41825531439553676
Energy: 0.4190509383239998
Energy: 0.44297540287056775
Energy: 0.42718054405671535
Energy: 0.4212078019666294
Energy: 0.4039248440489023
Energy: 0.4258714479841683
Energy: 0.4178474404020394
Energy: 0.4184145595135612
Energy: 0.4524140706074007
Energy: 0.4040544149303012
Energy: 0.4258007069307006
Energy: 0.40691357284674906
Energy: 0.4186703937822075
Energy: 0.4450039139789667

minimum gb energy = 0.40281274330895345 eV
minimum distance =  2.54002037613888 Angstroms
sigma value = 15


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

Energy: 0.41662125906713054
Energy: 0.4483252546929802
Energy: 0.46636409750527114
Energy: 0.43440786487964855
Energy: 0.4520052148671023
Energy: 0.42630327239118826
Energy: 0.4438110028856235
Energy: 0.46110031516160893
Energy: 0.43924858833276026
Energy: 0.452721882814259
Energy: 0.40777716017781
Energy: 0.4474526149602664
Energy: 0.43671725019329166
Energy: 0.4383576632592957
Energy: 0.4402135769857654
Energy: 0.4104957002378186
Energy: 0.4482635176487169
Energy: 0.4350021667334833
Energy: 0.4528048294157363
Energy: 0.4653250449424522
Energy: 0.4819876529281142
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Energy: 0.4223661377080804
Energy: 0.45049998773077543
Energy: 0.4196296980921407
Energy: 0.4126520990272807
Energy: 0.45808614901332567
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Energy: 0.4186684579329711
Energy: 0.44762168860298723
Energy: 0.44022205932781816
Energy: 0.45166839698549094
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Energy: 0.48226262808030523
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Energy: 0.45128153139857485
Energy: 0.41374335959105335
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Energy: 0.42126875639666084
Energy: 0.4588417476803293
Energy: 0.41114161967432394
Energy: 0.41837038844019336
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Energy: 0.4083643942495446
Energy: 0.41777699032178506
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Energy: 0.4188085787065662
Energy: 0.4186599920939068
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Energy: 0.5134824880176866
Energy: 0.4221837145440677
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Energy: 0.42290306077391765
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Energy: 0.422000128580965
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Energy: 0.4548876659219107
Energy: 0.4527101711327189
Energy: 0.4167864573769176
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Energy: 0.41643536597262537
Energy: 0.46412742615646085
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Energy: 0.4462215759608729
Energy: 0.4608934299634235
Energy: 0.4231057858594748
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Energy: 0.4610805020185043
Energy: 0.41590622439618774
Energy: 0.42403001914539035
Energy: 0.42182209845142826
Energy: 0.504182489294146
Energy: 0.46526913095061784
Energy: 0.4159017537977636
Energy: 0.4252034478615318
Energy: 0.44483121476186793
Energy: 0.42304467927509304
Energy: 0.4271240633908191
Energy: 0.41587243225277026
Energy: 0.42403371820957814
Energy: 0.4341493588900662
Energy: 0.41873442403745276
Energy: 0.4239080615094769
Energy: 0.4129055719811702
Energy: 0.4258712479152639
Energy: 0.4483342076364523
Energy: 0.4494463782089853
Energy: 0.41548538615553954
Energy: 0.4266879682725966
Energy: 0.4246271357927649
Energy: 0.42053128444775145
Energy: 0.4462507120405385
Energy: 0.4206903105555772
Energy: 0.4227234598373386
Energy: 0.42368310962997335
Energy: 0.4833727501999485
Energy: 0.4692808039661505
Energy: 0.418206669603658
Energy: 0.4098369532811726
Energy: 0.47025919317680787
Energy: 0.4835792757470919
Energy: 0.46841731870256575
Energy: 0.41929377781051747
Energy: 0.41040481464599027
Energy: 0.461074234202973
Energy: 0.4645845828045188
Energy: 0.47379308482779603
Energy: 0.4518965956472831
Energy: 0.4518063303163802
Energy: 0.44450902630486505
Energy: 0.46310121936013204
Energy: 0.454586421278288
Energy: 0.45270973746059956
Energy: 0.4495396739572795
Energy: 0.47967086531350106
Energy: 0.43252521302512204
Energy: 0.4562247161619843
Energy: 0.4637049088440192
Energy: 0.4423706722689905
Energy: 0.44860284559941166
Energy: 0.43296461663147645
Energy: 0.45380316604908033
Energy: 0.45850892123306064
Energy: 0.4423353757023373
Energy: 0.4485538792205539
Energy: 0.41652552549904026
Energy: 0.45400743583308023
Energy: 0.4741312353544121
Energy: 0.4513074124065572
Energy: 0.42973113609255986
Energy: 0.4160678864244489
Energy: 0.4510978419964147
Energy: 0.47779429920993344
Energy: 0.4677821308093832
Energy: 0.42512287185227526
Energy: 0.4735860890697037
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Energy: 0.42459093965739875
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Energy: 0.41385204803512854
Energy: 0.45041727816203564
Energy: 0.44826279213560083
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Energy: 0.4088799027977117
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Energy: 0.45966600408007213
Energy: 0.42109758348893034
Energy: 0.48001372625953953
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Energy: 0.48913657886720735
Energy: 0.45638317793219996
Energy: 0.4198906387073323
Energy: 0.41722780914229424
Energy: 0.42141060430861105
Energy: 0.42343555018239265
Energy: 0.4169130348813839
Energy: 0.4279665805819358
Energy: 0.4166453405554617
Energy: 0.42192962187191635
Energy: 0.42215072504338874
Energy: 0.416844038232999
Energy: 0.427041711154767
Energy: 0.4298492230374493
Energy: 0.4181369969740842
Energy: 0.4728304696235078
Energy: 0.41766307760069166
Energy: 0.42021098722245587
Energy: 0.41142096642441467
Energy: 0.4521556307961904
Energy: 0.45654428310751516
Energy: 0.41747589804002116
Energy: 0.42000800149084366
Energy: 0.4445742893216169
Energy: 0.41338933838638864
Energy: 0.4260117301335299
Energy: 0.44542561212654996
Energy: 0.44487400574274527
Energy: 0.4482980951666946
Energy: 0.41355606133507655
Energy: 0.4228762291820213
Energy: 0.46107884723295706
Energy: 0.4525827879620194
Energy: 0.4203030290368726
Energy: 0.4167421435186159
Energy: 0.4526776151927776
Energy: 0.5040214468688644
Energy: 0.4212520471732691
Energy: 0.4100056639975739
Energy: 0.41020552066769694
Energy: 0.44269049907378394
Energy: 0.5057504872810967
Energy: 0.4223985036639569
Energy: 0.4262151951334239
Energy: 0.4184170202219623
Energy: 0.42701886921800575
Energy: 0.4178190178266353
Energy: 0.4132287796663555
Energy: 0.42578646281912763
Energy: 0.42700056525015745
Energy: 0.41238495224994637
Energy: 0.4170299401050091
Energy: 0.4197644465768244
Energy: 0.4198754811878323
Energy: 0.4096610666316365
Energy: 0.4851553280376214
Energy: 0.479451906128373
Energy: 0.4864998462899863
Energy: 0.4136714000955372
Energy: 0.41076211914470356
Energy: 0.48467525579175696
Energy: 0.45154285256259286
Energy: 0.4734045078631374
Energy: 0.4278908644543184
Energy: 0.4743693106250297
Energy: 0.421969495995044
Energy: 0.4405293294836357
Energy: 0.40418963281962034
Energy: 0.4194096407550172
Energy: 0.4672901367045309
Energy: 0.4182504284270528
Energy: 0.4379229763991805
Energy: 0.4067122346278939

minimum gb energy = 0.40418963281962034 eV
minimum distance =  2.51573272530674 Angstroms
sigma value = 437


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

Energy: 0.5711721792918445
Energy: 0.4341369994664257
Energy: 0.4582047383643005
Energy: 0.4369454544119094
Energy: 0.4343665601189886
Energy: 0.5707279614636238
Energy: 0.4370348269766884
Energy: 0.45681981776529806
Energy: 0.407903940317487
Energy: 0.4441927658785671
Energy: 0.391737920641564
Energy: 0.43941554085281403
Energy: 0.462601824055555
Energy: 0.4619362561265578
Energy: 0.4070573756987588
Energy: 0.395922856649676
Energy: 0.4393722274015078
Energy: 0.4645594463658809
Energy: 0.43760453766020724
Energy: 0.40761118010019526
Energy: 0.4328714063590044
Energy: 0.4393986471077634
Energy: 0.4055323187491593
Energy: 0.40923165309885373
Energy: 0.4346570782139095
Energy: 0.4323400965663921
Energy: 0.436439069422477
Energy: 0.40621869969296853
Energy: 0.40840985148583075
Energy: 0.4349790114704587
Energy: 0.4095792461332172
Energy: 0.4089330352838404
Energy: 0.4062502254195556
Energy: 0.4359183932822996
Energy: 0.39608950574479374
Energy: 0.4099589203986694
Energy: 0.40887431632139454
Energy: 0.43666487187906855
Energy: 0.43614872419880124
Energy: 0.3962217789855568
Energy: 0.46777900372813447
Energy: 0.4349111493952829
Energy: 0.4117075913247215
Energy: 0.4135896711139969
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Energy: 0.4670449382443106
Energy: 0.4351490246001824
Energy: 0.41103438454552077
Energy: 0.4080496547768546
Energy: 0.41144740982035294
Energy: 0.4148822068106553
Energy: 0.40621958346903625
Energy: 0.3947820613979907
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Energy: 0.4058761094245185
Energy: 0.39516572606407113
Energy: 0.4351293116505795
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Energy: 0.43055854271468125
Energy: 0.43311857191913206
Energy: 0.42891014832073926
Energy: 0.4084000312622497
Energy: 0.40483631985053514
Energy: 0.4296209016177909
Energy: 0.43211351600359993
Energy: 0.43092832869992514
Energy: 0.4084200411564399
Energy: 0.4028664832076647
Energy: 0.43760308909576684
Energy: 0.3966682424308662
Energy: 0.40680549338301203
Energy: 0.41605238214406626
Energy: 0.43671959472268274
Energy: 0.439306228253937
Energy: 0.3950216390975428
Energy: 0.4069444502918037
Energy: 0.40773526461846066
Energy: 0.43646624949224055
Energy: 0.4065171033395614
Energy: 0.43697453979347384
Energy: 0.4126995823811338
Energy: 0.40781075816382956
Energy: 0.4078244014523197
Energy: 0.405811088749965
Energy: 0.4368916243702193
Energy: 0.4392226983790643
Energy: 0.43221927017907563
Energy: 0.40687460527048913
Energy: 0.4166713570225949
Energy: 0.4422400607197189
Energy: 0.40016825738805684
Energy: 0.46309202511652736
Energy: 0.4417651358376854
Energy: 0.43643265946320925
Energy: 0.41004276229040015
Energy: 0.4007640943245974
Energy: 0.46852536616070906
Energy: 0.44179356929866065
Energy: 0.3956596215119399
Energy: 0.39595749977765915
Energy: 0.44193787220407554
Energy: 0.40995202495069966
Energy: 0.3990109075656883
Energy: 0.39566404969738567
Energy: 0.39649110144546323
Energy: 0.4412456250524561
Energy: 0.4101799577322028
Energy: 0.40989982814056203
Energy: 0.3969279407974915
Energy: 0.39793576964921784
Energy: 0.397662202614668
Energy: 0.4387515281718531
Energy: 0.39752621917423075
Energy: 0.397284562268241
Energy: 0.39881907031813635
Energy: 0.39774571341782744
Energy: 0.4384836979130551
Energy: 0.3968973700153325
Energy: 0.3953382906053248
Energy: 0.3981591649402709
Energy: 0.4381826078137603
Energy: 0.43718120325750676
Energy: 0.4419104308109276
Energy: 0.3960148582008658
Energy: 0.40029220547462724
Energy: 0.4391320487301096
Energy: 0.4361972544528232
Energy: 0.44225877269902
Energy: 0.4000584209461661
Energy: 0.41589439959071234
Energy: 0.4443932059381554
Energy: 0.4134320201300648
Energy: 0.40124809460666344
Energy: 0.4671325593277197
Energy: 0.41489909762605803
Energy: 0.46664029067489876
Energy: 0.4113562073864938
Energy: 0.4124706610724126

minimum gb energy = 0.391737920641564 eV
minimum distance =  2.63310628619079 Angstroms
sigma value = 33