Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850997865200043
cohesive_energy=4.280336213767988
mass=55.845
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=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.84022076883522e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.83746502502474e-19, 6.80889821564052e-19, 6.763764899860739e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10161734056122e-19, 5.82061158072396e-19, 5.45678931067524e-19, 4.98682283862402e-19, 4.37993435143116e-19, 3.5949639313691994e-19, 2.57634809277102e-19, 1.2482109546036478e-19, -4.94732918459592e-20, -2.8004765821012795e-19, -5.88120590102184e-19, -1.0046736975291118e-18, -1.5761124245180878e-18, -2.3739931838968196e-18, -3.51174687699924e-18, -5.174037178306919e-18, -7.670388591742319e-18, -1.1534630349987899e-17, -1.77099798592458e-17, -2.78684205894594e-17, -4.47811573556268e-17, -7.166311779153239e-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: 0.015014893198923867
Energy: 0.10807260945127807
Energy: 0.0705018105347175
Energy: 0.07114264806342777
Energy: 0.11263481086486953
Energy: 0.0689922470763484
Energy: 0.108196150503272
Energy: 0.07000040546849107
Energy: 0.07135292013060714
Energy: 0.017814486252716217
Energy: 0.07013875503105778
Energy: 0.06934484061196
Energy: 0.10823215326242913
Energy: 0.01628149227849302
Energy: 0.016707816159065487
Energy: 0.06930113803200512
Energy: 0.06947982603407346
Energy: 0.06927167803344184
Energy: 0.06915291931591794
Energy: 0.11001461427761809
Energy: 0.06939742026013376
Energy: 0.06895933148804133
Energy: 0.10760584058791535
Energy: 0.015536088287743633
Energy: 0.07052247953543446
Energy: 0.06981572615358216
Energy: 0.01551600947863427
Energy: 0.015408552833334204
Energy: 0.06920554970515708
Energy: 0.07006738041302525
Energy: 0.017326725202536076
Energy: 0.10836735993973436
Energy: 0.07324332959411177
Energy: 0.06977373550846484
Energy: 0.07247161893430917
Energy: 0.06924422125695508
Energy: 0.01644638739742172
Energy: 0.01581058823503364
Energy: 0.06986762789857894
Energy: 0.015276876572267544
Energy: 0.01714716329995521
Energy: 0.07210342338195912
Energy: 0.0697266918079389
Energy: 0.016920567438179657
Energy: 0.01532062121988061
Energy: 0.06894904564839972
Energy: 0.07096024512694606
Energy: 0.07111341716322553
Energy: 0.06977361595679529
Energy: 0.015153516974382813
Energy: 0.06995365966161281
Energy: 0.07155205330384781
Energy: 0.11094332243256685
Energy: 0.015932991563810974
Energy: 0.015485656111579623
Energy: 0.07121966635802834
Energy: 0.01607990980419805
Energy: 0.017633132919087854
Energy: 0.06927246623735657
Energy: 0.06914919369706084
Energy: 0.015399441819117784
Energy: 0.10818975367027982
Energy: 0.0692705180950165
Energy: 0.0696810068602571
Energy: 0.06962547453752838
Energy: 0.06925991376867396
Energy: 0.01580716713017721
Energy: 0.017039646369960616
Energy: 0.06974665553622972
Energy: 0.06982115751111448

minimum gb energy = 0.015014893198923867 eV
minimum distance =  2.46746900992871 Angstroms
sigma value = 3


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

Energy: 1.7150532714094544
Energy: 1.409745600151467
Energy: 1.378511837419128
Energy: 1.292203049367658
Energy: 1.418767199064925
Energy: 1.4168215101082402
Energy: 1.4436768718644744
Energy: 1.3223088988502734
Energy: 1.3212935021955952
Energy: 1.4804955751760525
Energy: 1.4709646026856456
Energy: 1.4271512919742262
Energy: 1.4277708764060753
Energy: 1.5191434171323077
Energy: 1.4820708508543123
Energy: 1.3448887553575133
Energy: 1.3707914979003681
Energy: 1.403623459839747
Energy: 1.3991367479751284
Energy: 1.412249425400424
Energy: 1.4539493000263366
Energy: 1.379283465122156
Energy: 1.3740736830530003
Energy: 1.5211972443246842
Energy: 1.3644774285874637
Energy: 1.4724464274084337
Energy: 1.5193603988111652
Energy: 1.3963612050406173
Energy: 1.5402339761532815
Energy: 1.4873514704685904
Energy: 1.570527609653647
Energy: 1.3805993660401878
Energy: 1.4246682517169829
Energy: 1.3997062767879873
Energy: 1.332430788543983
Energy: 1.4021017179651618
Energy: 1.432673090853389
Energy: 1.4149597616815695
Energy: 1.37903400812685
Energy: 1.4844717116019017
Energy: 1.6634515786000603
Energy: 1.3272129484532451
Energy: 1.5659158825884696
Energy: 1.5670117618018218
Energy: 1.3206375071208614
Energy: 1.4127699918946146
Energy: 1.4602316258104007
Energy: 1.3574304061504927
Energy: 1.416222342587236
Energy: 1.3779841420592955
Energy: 1.475077841665082
Energy: 1.3922173101046478
Energy: 1.3246073219873051
Energy: 1.3190756088094133
Energy: 1.5359483394553373
Energy: 1.5223131972594266
Energy: 1.4960871545124537
Energy: 1.336750846201742
Energy: 1.4097350698030267
Energy: 1.3577866151658768
Energy: 1.468305092555486
Energy: 1.402159103424567
Energy: 1.3217183059389264
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Energy: 1.4273995320861264
Energy: 1.3055401396919988
Energy: 1.298480421543358
Energy: 1.4975624432949681
Energy: 1.4122168105632962
Energy: 1.412356896745558
Energy: 1.4159097177620144
Energy: 1.4874743440212186
Energy: 1.4073050017551072
Energy: 1.3692310783604362
Energy: 1.4171627202471435
Energy: 1.410469912504939
Energy: 1.3064505150364896
Energy: 1.4436859089103198
Energy: 1.309098299987776
Energy: 1.2823817829021422
Energy: 1.3789765355307009
Energy: 1.4911046204581702
Energy: 1.3319594537358725
Energy: 1.3003203343336422
Energy: 1.3709551186745583
Energy: 1.39691573341067
Energy: 1.3693593081576716
Energy: 1.4935352860325728
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Energy: 1.3686115295884524
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Energy: 1.3692861507517688
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Energy: 1.303382998957202
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Energy: 1.504246601235597
Energy: 1.6135233782846072
Energy: 1.6095466219271295
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Energy: 1.527198405374469
Energy: 1.405280862695995
Energy: 1.3644804186301247
Energy: 1.3879000609121481
Energy: 1.3894087329353304
Energy: 1.4260854350516279
Energy: 1.4251826043863738
Energy: 1.363282219185426
Energy: 1.3713437303307572
Energy: 1.5628622201896343
Energy: 1.408971720771064
Energy: 1.3471921112267247
Energy: 1.4280421073404401
Energy: 1.3617095390674205
Energy: 1.4229282426804362
Energy: 1.3945250455750022
Energy: 1.4070511370809775
Energy: 1.4672165839459372
Energy: 1.3951582614710798
Energy: 1.4078061525424295
Energy: 1.4660488180556035
Energy: 1.400383745429078
Energy: 1.766616596113063
Energy: 1.5178003991635054
Energy: 1.3997636189294225
Energy: 1.7527153164731115
Energy: 1.5231744269146403
Energy: 1.3954028454496914
Energy: 1.3975701587367326
Energy: 1.4103496905998736
Energy: 1.524463206293141
Energy: 1.3879281889034114
Energy: 1.3760323818193585
Energy: 1.5181316976070638
Energy: 1.4007691451763398
Energy: 1.3983353135957746
Energy: 1.3957528063671572
Energy: 1.4162573199627346
Energy: 1.7198438942115195
Energy: 1.5253173343002755
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Energy: 1.3890673719738884
Energy: 1.427627461395637
Energy: 1.4134689202032358
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Energy: 1.3711503256506525
Energy: 1.3964073571394275
Energy: 1.2826645058091561
Energy: 1.3717256138968668
Energy: 1.389806001264528
Energy: 1.569521216835716
Energy: 1.694400056611466
Energy: 1.5389782201548141
Energy: 1.5384043838145178
Energy: 1.3592197969576227
Energy: 1.5098702431262372
Energy: 1.5046718562595085
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Energy: 1.4024785425883513
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Energy: 1.412257352071362
Energy: 1.333819762311631
Energy: 1.2883577551587002
Energy: 1.5381482376477587
Energy: 1.2827529487452027
Energy: 1.283717246351584
Energy: 1.506850584524448
Energy: 1.5050302612712128
Energy: 1.4128077708504427
Energy: 1.4954210712285427
Energy: 1.414642820790401
Energy: 1.3308391613012607
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Energy: 1.4964832368287229
Energy: 1.5175730517447523
Energy: 1.288274088931737
Energy: 1.534325235113898
Energy: 1.3898981465345743
Energy: 1.3080698941903528
Energy: 1.4160281408142537
Energy: 1.4657000724955325
Energy: 1.3724157349335715
Energy: 1.3710193316493078
Energy: 1.3763816882896704
Energy: 1.3711192886626764
Energy: 1.3697032475662783
Energy: 1.5053787804500085
Energy: 1.4136013870446968
Energy: 1.2968031852115616
Energy: 1.5168099539827886
Energy: 1.4905271492376277
Energy: 1.3832676657998029
Energy: 1.3824639207701266
Energy: 1.334928227403969
Energy: 1.3681757723705816
Energy: 1.4002906858294157
Energy: 1.3266021625349609
Energy: 1.2945414769343588
Energy: 1.4146308975433535
Energy: 1.4793097116766807
Energy: 1.5477767850352813
Energy: 1.2901346160307998
Energy: 1.2942168723277474
Energy: 1.3685716611509606
Energy: 1.5169521912754178
Energy: 1.3204860115932333
Energy: 1.3850009852131013
Energy: 1.3671304876886547
Energy: 1.364358817764558
Energy: 1.4177613334791086
Energy: 1.2911668005291705
Energy: 1.5006317850916444
Energy: 1.520400019851536
Energy: 1.4295605300488423
Energy: 1.5574611354689454
Energy: 1.488274626486669
Energy: 1.3192133737416647
Energy: 1.4027076871304824
Energy: 1.3644730379211754
Energy: 1.4405143842793855
Energy: 1.3640521049239014
Energy: 1.4946126167930938
Energy: 1.3883755411603007
Energy: 1.3213475364159857
Energy: 1.569613917897214
Energy: 1.5049959867849574
Energy: 1.42223824084808
Energy: 1.5605580297632946
Energy: 1.4409008965087409
Energy: 1.3801105116160437
Energy: 1.3571749409750535
Energy: 1.3864500268340936
Energy: 1.4041571583216803
Energy: 1.3209488318363138
Energy: 1.4666448853127605
Energy: 1.409954720772943
Energy: 1.3674693324313387
Energy: 1.4230306437511893
Energy: 1.4638068966492106
Energy: 1.3825300765868558
Energy: 1.6098265153880569
Energy: 1.424701541417736
Energy: 1.4362488864331278
Energy: 1.3548928616801035
Energy: 1.55722277798842
Energy: 1.329038315489534
Energy: 1.3691186415611662
Energy: 1.2914757789373332
Energy: 1.4468814229405569
Energy: 1.4196972779643315
Energy: 1.4423790421782143
Energy: 1.3329578373160296
Energy: 1.4269588794245247
Energy: 1.3650948910836642

minimum gb energy = 1.2823817829021422 eV
minimum distance =  2.26691692406329 Angstroms
sigma value = 75


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

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Energy: 1.5322478804185666
Energy: 1.5057541045140728
Energy: 1.4504745810411142
Energy: 1.5491601951184313
Energy: 1.538140416503618
Energy: 1.477358217881911
Energy: 1.4781245537449066
Energy: 1.4683646940252786
Energy: 1.5815910608069914
Energy: 1.4585485680061114
Energy: 1.5338240472541385
Energy: 1.5501601906293427
Energy: 1.4960380900764942
Energy: 1.4992976440307877
Energy: 1.4683001843414503
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Energy: 1.4490199554192498
Energy: 1.4401995681407032
Energy: 1.482155149718754
Energy: 1.5977003972509851
Energy: 1.4778611874016019
Energy: 1.510827037375839
Energy: 1.5057386153465269
Energy: 1.5136510890973827
Energy: 1.5585234694044474
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Energy: 1.5965323582106117
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Energy: 1.5722611673448825
Energy: 1.5369935925540674
Energy: 1.5531143143343997
Energy: 1.5670603944928667
Energy: 1.510841540715495
Energy: 1.4056030361211749
Energy: 1.4790668581747413
Energy: 1.4451911119646195
Energy: 1.5296087130069298
Energy: 1.6491056087445946
Energy: 1.5526983919655013
Energy: 1.5382381686468114
Energy: 1.5446926468547035
Energy: 1.5331483512913806
Energy: 1.5236166406681626
Energy: 1.4314904545015132
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Energy: 1.4669897131364824
Energy: 1.4637045237196766
Energy: 1.43950267929248
Energy: 1.479770014165362
Energy: 1.4566150467645151
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Energy: 1.4091290322251253
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Energy: 1.4925848446440582
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Energy: 1.5234481028435387
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Energy: 1.4575280045911483
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Energy: 1.437373191911632
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Energy: 1.488063383413968
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Energy: 1.4720143525674394
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Energy: 1.6093167016532333
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Energy: 1.5651260052585159
Energy: 1.5609670960661104
Energy: 1.5932273526093856
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Energy: 1.4862936335441777
Energy: 1.5025603211951875
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Energy: 1.460009267784389
Energy: 1.4496529607479047
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Energy: 1.4453992921476757
Energy: 1.4719639732071101
Energy: 1.4219439685834165
Energy: 1.4320938144041648
Energy: 1.4324276285921962
Energy: 1.552562652811747
Energy: 1.4613049171926127
Energy: 1.4146656167194727
Energy: 1.530446321111712
Energy: 1.5174849359746396
Energy: 1.4677500625508402
Energy: 1.4580635815210932
Energy: 1.4418410429472814
Energy: 1.5252073762559346
Energy: 1.4553541169008712
Energy: 1.5013314734909982
Energy: 1.4893337109931073
Energy: 1.505553316229859
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Energy: 1.5161349992541817
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Energy: 1.457434926550952
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Energy: 1.4414242298477986
Energy: 1.482603429931753
Energy: 1.4855463743724195
Energy: 1.5199214137369323
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Energy: 1.4370424281724656
Energy: 1.4789290117563312
Energy: 1.4812649963196882
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Energy: 1.6106906519521131
Energy: 1.4412020601320858
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Energy: 1.4957880007027171
Energy: 1.4375143623619993
Energy: 1.5341082504871375
Energy: 1.5851661516695943
Energy: 1.6097352598720134
Energy: 1.4888852722879489
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minimum gb energy = 1.391110251299706 eV
minimum distance =  2.29401452778637 Angstroms
sigma value = 105


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

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Energy: 1.580570550441512
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Energy: 1.4347435510904636
Energy: 1.4970590905385452
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Energy: 1.42587295187485
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Energy: 1.4273852608697923
Energy: 1.5804194392084812
Energy: 1.4289022430301928
Energy: 1.4641222492799497
Energy: 1.4179503819942836
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Energy: 1.4724705471519632
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Energy: 1.572528530552165
Energy: 1.5518114904928246
Energy: 1.5534226646297848
Energy: 1.441920609459876
Energy: 1.5303635353720875
Energy: 1.42602088790863
Energy: 1.4498673864538314
Energy: 1.4132520875806456
Energy: 1.4980588244895336
Energy: 1.5523693233149747
Energy: 1.484671543850607
Energy: 1.4990502773189123
Energy: 1.3518758887935058
Energy: 1.6379260317110031
Energy: 1.6502702197908923
Energy: 1.6032767223569064
Energy: 1.624937335967965
Energy: 1.4491262515640624
Energy: 1.5724360483205901
Energy: 1.3840332906808686
Energy: 1.3835253997840768
Energy: 1.422597512680445
Energy: 1.570727986074057
Energy: 1.5712217687677024
Energy: 1.4925471290462429
Energy: 1.6267569277731768
Energy: 1.5805302069055296
Energy: 1.5653880374758757

minimum gb energy = 1.3344964745950545 eV
minimum distance =  2.27887406014069 Angstroms
sigma value = 165


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

Energy: 1.5231991211613902
Energy: 1.3821199798458519
Energy: 1.3835486373913308
Energy: 1.3860085911627997
Energy: 1.3662681433338726
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Energy: 1.326316802670458
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Energy: 1.3596681891971587
Energy: 1.3868957514447093
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Energy: 1.3603198637457274
Energy: 1.35329529436544
Energy: 1.3501039540070687
Energy: 1.357057014679742
Energy: 1.3579897802303273
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Energy: 1.3606451206250327
Energy: 1.4076594030702472
Energy: 1.4602951523450236
Energy: 1.3852510105733589
Energy: 1.3839916363754527
Energy: 1.324750660933773
Energy: 1.3470301641828746
Energy: 1.4483512679821569
Energy: 1.3652378593755161
Energy: 1.3605798636021138
Energy: 1.3150282965819051
Energy: 1.3858725568906394
Energy: 1.3796147042473115
Energy: 1.4631186492696264
Energy: 1.3277271243089148
Energy: 1.3281964401397706
Energy: 1.3522927225593058
Energy: 1.3615627730526023
Energy: 1.390276316799628
Energy: 1.4046598782719124
Energy: 1.4063905399363166
Energy: 1.359979683436003
Energy: 1.3669098127528503
Energy: 1.3633414030244837
Energy: 1.3633793254423778
Energy: 1.3664988053624079
Energy: 1.3816997972459872

minimum gb energy = 1.3150282965819051 eV
minimum distance =  2.26942477465507 Angstroms
sigma value = 41


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

Energy: 3.4812719729063857
Energy: 1.3711381969822778
Energy: 1.4859074789486577
Energy: 1.3815107218730145
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Energy: 1.3765426929561715
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Energy: 1.321110078956013
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Energy: 1.505992361891674
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Energy: 1.3714912881114847
Energy: 1.4174522481234053
Energy: 1.4262849114779814
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Energy: 1.3694301970346785
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Energy: 1.3973250161197581
Energy: 1.2273651576019844
Energy: 1.3629657539756694
Energy: 1.33676834127557
Energy: 1.1848235318151679
Energy: 1.4845085932083122
Energy: 1.4100134771349602
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Energy: 1.3216589361222126
Energy: 1.3606015744396505
Energy: 1.3005981506096707
Energy: 1.2188746522590441
Energy: 1.2205790075681031
Energy: 1.2289429851890183
Energy: 1.2257841122477398
Energy: 1.2986025130479575
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Energy: 1.4947642566055537
Energy: 1.4113949042312202
Energy: 1.29924913141628
Energy: 1.2171779103225784
Energy: 1.1857576537377859
Energy: 1.1849453041269513
Energy: 1.4175586216113432
Energy: 1.4301062497299348
Energy: 1.2883317798944238
Energy: 1.3684568586907453
Energy: 1.302881959343591
Energy: 1.317668313884729
Energy: 1.3742959128999348
Energy: 1.1937615746932018
Energy: 1.1969513707216297
Energy: 1.4339294472453767
Energy: 1.4678992919075935
Energy: 1.6662368625011532
Energy: 1.4942279812544264
Energy: 1.4145297846547915
Energy: 1.1836151148187988
Energy: 1.183095977254401
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Energy: 1.538803073849462
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Energy: 1.2906779873783343
Energy: 1.4994609164103037
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Energy: 1.260174633129093
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Energy: 1.5819847153431457
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Energy: 1.3985521587259815
Energy: 1.2447274864231928
Energy: 1.3652845732290715
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Energy: 1.570287408658175
Energy: 1.2661058191192303
Energy: 1.3443293564840428
Energy: 1.346175712133112
Energy: 1.3415856596901812
Energy: 1.2318072907723412
Energy: 1.1837361045902473
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Energy: 1.3748172033867518
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Energy: 1.2876883111583466
Energy: 1.1847132712224904
Energy: 1.2148762469026073
Energy: 1.383033223431312
Energy: 1.2849286119419505
Energy: 1.3075318643506768
Energy: 1.3190121057019553
Energy: 1.1984830687924521
Energy: 1.2909186656625022
Energy: 1.3205039602192117
Energy: 1.2863251763119288
Energy: 1.2002834028802427
Energy: 1.2845451615844588
Energy: 1.258669300635643
Energy: 1.3037333667922633
Energy: 1.302165865010335
Energy: 1.6721960637778157
Energy: 1.5589875427048174
Energy: 1.2587952721006441
Energy: 1.2994092847030319
Energy: 1.53916680635531
Energy: 1.2569477659863442
Energy: 1.538863200793157
Energy: 1.5467420596797148
Energy: 1.2696929814816313
Energy: 1.3224630759138651
Energy: 1.5869332581297548
Energy: 1.5050385482102313
Energy: 1.3903631302823645
Energy: 1.1980702654165358
Energy: 1.285768200050853
Energy: 1.3195026794895213
Energy: 1.5989967686328452
Energy: 1.30210347839807
Energy: 1.3922891031154516
Energy: 1.2975424896198426
Energy: 1.5406890988996662
Energy: 1.5194279060997418
Energy: 1.2044708179941404
Energy: 1.1840325379503274
Energy: 1.320198410255392
Energy: 1.5064418752404285
Energy: 1.3329118601643515
Energy: 1.33063886975786
Energy: 1.3074523293095384
Energy: 1.3874971622869139
Energy: 1.4304725107971843
Energy: 1.4679379044773064
Energy: 1.5421985200588961
Energy: 1.3007097941133479
Energy: 1.3191668373008203
Energy: 1.3098496364107768
Energy: 1.331437358891406
Energy: 1.3009818467302963
Energy: 1.3116414804390608
Energy: 1.3152881799391882
Energy: 1.4460181937062373
Energy: 1.501669869029091
Energy: 1.4653428559263184
Energy: 1.5514222677661742
Energy: 1.2969907357845196
Energy: 1.3022682471356424
Energy: 1.3203169586299934
Energy: 1.3102390804880675
Energy: 1.3033648645156994
Energy: 1.338479255547577
Energy: 1.3145999319535966
Energy: 1.365524774605708
Energy: 1.3216164144424138
Energy: 1.5308719462921108
Energy: 1.297208613066211
Energy: 1.251100472634359
Energy: 1.2738122255956634
Energy: 1.4615223327048266
Energy: 1.4270617781886192
Energy: 1.3809610841516837
Energy: 1.4050532221309695
Energy: 1.295606003063024
Energy: 1.6676768189262563
Energy: 1.506506075660984
Energy: 1.4054218413081785
Energy: 1.510108947423426

minimum gb energy = 1.1824637813147039 eV
minimum distance =  2.25588903075506 Angstroms
sigma value = 185


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

Energy: 3.1901823487832606
Energy: 1.3565569373005806
Energy: 1.634902500518372
Energy: 1.6223485975383187
Energy: 1.4833741873005946
Energy: 1.643262383728065
Energy: 1.6540533996207814
Energy: 1.5983107299655328
Energy: 1.5002888480403296
Energy: 1.3112578528420373
Energy: 1.4663820878177576
Energy: 1.6278895090759777
Energy: 1.400668772878235
Energy: 1.3095458388069738
Energy: 1.3111632169323688
Energy: 1.607508509380048
Energy: 1.6086675636753387
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Energy: 1.5221784133868907
Energy: 1.4664932721663104
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Energy: 1.688726374865871
Energy: 1.502809371761894
Energy: 1.3532734776748885
Energy: 1.354970731757845
Energy: 1.3611975287987672
Energy: 1.5220184868636484
Energy: 1.3286717310291718
Energy: 1.3317440763140924
Energy: 1.4868630731541639
Energy: 1.4859646894442031
Energy: 1.4779201613936883
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Energy: 1.3574985414861718
Energy: 1.3300754506067152
Energy: 1.4670035591321327
Energy: 1.4800116033879778
Energy: 1.4822480645789486
Energy: 1.3253146447500068
Energy: 1.3601089319285198
Energy: 1.311194927719787
Energy: 1.6252831832389654
Energy: 1.6058280359847081
Energy: 1.477673742896259
Energy: 1.4688255141747464
Energy: 1.6402457956230128
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Energy: 1.4803030483974453
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Energy: 1.5306771583233891
Energy: 1.5358817047526672
Energy: 1.332931992014313
Energy: 1.310656433939868
Energy: 1.66835923417532
Energy: 1.6601722268282904
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Energy: 1.644577360831419
Energy: 1.5123312311492025
Energy: 1.332921474341333
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Energy: 1.6602699339484899
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Energy: 1.447168459357547
Energy: 1.5040887994698848
Energy: 1.296133830349284
Energy: 1.4936570578543156
Energy: 1.6620207842567327
Energy: 1.5298393017596024
Energy: 1.6678039281486923
Energy: 1.3458589720793646
Energy: 1.3388131911174583
Energy: 1.343150176100286
Energy: 1.3447999163530377
Energy: 1.3505303716834043
Energy: 1.3124038460859035
Energy: 1.3616656389565658
Energy: 1.6923751401432083
Energy: 1.6454917519904593
Energy: 1.6580884967828062
Energy: 1.5059702412709675
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Energy: 1.504288479353723
Energy: 1.4519013312013973
Energy: 1.5042926024150192
Energy: 1.3766872884669215
Energy: 1.3315081580607318
Energy: 1.3129677245802849
Energy: 1.3162304993256944
Energy: 1.3318783089481137
Energy: 1.6399625779097258
Energy: 1.5347486698824926
Energy: 1.6570232182704367
Energy: 1.6519123777428508
Energy: 1.5550722708937594
Energy: 1.6904105787327706
Energy: 1.640064645212309
Energy: 1.6234553100712659
Energy: 1.6513382632325786
Energy: 1.69330838404744
Energy: 1.5357034761678472
Energy: 1.2687376646495223
Energy: 1.3623059881950557
Energy: 1.5347200953501996
Energy: 1.5131987413175958
Energy: 1.3603421439123824
Energy: 1.3608891203211713
Energy: 1.6224846837247924
Energy: 1.6351846230807279
Energy: 1.4769133404133024
Energy: 1.4664536642960093
Energy: 1.602585601527188
Energy: 1.6235181044641123
Energy: 1.47487527092989
Energy: 1.4998535728285263
Energy: 1.6038634270741712
Energy: 1.6147389253411981
Energy: 1.524099277492853
Energy: 1.3207944448225193
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Energy: 1.492772237668135
Energy: 1.479548357993893
Energy: 1.5862557942033064
Energy: 1.4826227341048834
Energy: 1.4295340344544603
Energy: 1.6491767952255618
Energy: 1.646831296931109
Energy: 1.6367883642658547
Energy: 1.4656483559496327
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Energy: 1.3708149817200372
Energy: 1.370427754276554
Energy: 1.38086162165605
Energy: 1.3563732836761075
Energy: 1.4589280393588249
Energy: 1.315778574419548
Energy: 1.317039550671449
Energy: 1.3596420166420455
Energy: 1.6310413881628298
Energy: 1.4662454247158354
Energy: 1.5031637197690098
Energy: 1.6102262522839326
Energy: 1.477741784791722
Energy: 1.3654886254637817
Energy: 1.5081798194461213
Energy: 1.6406337879657067
Energy: 1.604597040430175
Energy: 1.3310744200545739
Energy: 1.3220740927219568
Energy: 1.5271911236885403
Energy: 1.6479714279907545
Energy: 1.65779631066974
Energy: 1.4615574401356106
Energy: 1.4830678979354543
Energy: 1.6333195123059117
Energy: 1.6091671742824203
Energy: 1.61766145410627
Energy: 1.6160374717877553
Energy: 1.5030079626696131
Energy: 1.5314992589765668
Energy: 1.4785479583384142
Energy: 1.463102075752907
Energy: 1.3101893280332775
Energy: 1.542573586679224
Energy: 1.3627799905303808
Energy: 1.3675107872395431
Energy: 1.632967091605479
Energy: 1.50261005743016
Energy: 1.5155950389500912
Energy: 1.477076469035306
Energy: 1.6089675067084759
Energy: 1.630288835486347
Energy: 1.6231295659908398
Energy: 1.4816558151529948
Energy: 1.6374671862113788
Energy: 1.6267006634389507
Energy: 1.6172208211408587
Energy: 1.3364870269743114
Energy: 1.3331384740655499
Energy: 1.3275164463781501
Energy: 1.3318404452672776
Energy: 1.4874168748326406
Energy: 1.4849644822234962
Energy: 1.667228230655216
Energy: 1.6138809434268182
Energy: 1.6274249362086721
Energy: 1.6058963389119132
Energy: 1.4776404809826063
Energy: 1.4661014152261307
Energy: 1.4669289894995836
Energy: 1.480372947276027
Energy: 1.3328203066877056
Energy: 1.3618614401212965
Energy: 1.3242802515145584
Energy: 1.312868188445665
Energy: 1.3600192881128341
Energy: 1.3330955520317866
Energy: 1.5294785702949045
Energy: 1.533997149091147
Energy: 1.6346027839131592
Energy: 1.634342309365652
Energy: 1.480189173411983
Energy: 1.5127293277214182
Energy: 1.3600822788451206
Energy: 1.6374178768859498
Energy: 1.6567297830726304
Energy: 1.63223928396964
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Energy: 1.2701995389063514
Energy: 1.361467767382432
Energy: 1.521709037241378
Energy: 1.509984379489959
Energy: 1.6867236595918327
Energy: 1.662718081765485
Energy: 1.6675994779843644
Energy: 1.6466641036824186
Energy: 1.488613108376203
Energy: 1.4443925825399466
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Energy: 1.5146188433737395
Energy: 1.3102414745814788
Energy: 1.335122721484661
Energy: 1.3135035694636206
Energy: 1.667845650124277
Energy: 1.3424665735870935
Energy: 1.3410206009114363
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Energy: 1.4831691262697368
Energy: 1.504881675965623
Energy: 1.2994663980325756
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Energy: 1.6604229529772285
Energy: 1.646044506596383
Energy: 1.6607210207177188
Energy: 1.46262226088203
Energy: 1.4918953130026547
Energy: 1.3437924237610088
Energy: 1.4503790227297069
Energy: 1.3503520324771032
Energy: 1.3100107126647547
Energy: 1.5342273529906347
Energy: 1.6235183514679703
Energy: 1.64293646228587
Energy: 1.3670201507613389
Energy: 1.6333457533256506
Energy: 1.4669839441448052
Energy: 1.4677588876429517
Energy: 1.634912734034573
Energy: 1.5042528014671184
Energy: 1.3110323619294024
Energy: 1.3313218312451074
Energy: 1.311747908359948
Energy: 1.3246172454488676
Energy: 1.363729240990238
Energy: 1.272964288631581
Energy: 1.2704332362564001
Energy: 1.3611477468988846
Energy: 1.6479633078315157
Energy: 1.4999199290796275
Energy: 1.5651236802822117
Energy: 1.6421270689003393
Energy: 1.6229608331002365
Energy: 1.5663880121549325
Energy: 1.641296660143485
Energy: 1.4888438233192611
Energy: 1.5304314644500463
Energy: 1.4768531527679356
Energy: 1.332493344979966
Energy: 1.3104318350888322
Energy: 1.331577111668562
Energy: 1.499074999450596
Energy: 1.6224017206274488
Energy: 1.6380260901542005
Energy: 1.331491724223355
Energy: 1.4721232801850417
Energy: 1.4784690432882013
Energy: 1.596719482865413
Energy: 1.481429286249509
Energy: 1.5009702022203317
Energy: 1.4945520403852182
Energy: 1.3624623944595606
Energy: 1.3225195018992495
Energy: 1.3206232440297012
Energy: 1.323755585762449
Energy: 1.3547781493343583
Energy: 1.3711051188252965
Energy: 1.4705718655075468
Energy: 1.4812954564775382
Energy: 1.5055851679256442
Energy: 1.5961315975014656
Energy: 1.643094703044888
Energy: 1.634731247300038
Energy: 1.4655192303488447
Energy: 1.4668887444382626
Energy: 1.5268898717344994
Energy: 1.489736842913418
Energy: 1.4746474433366437
Energy: 1.3697154981449413
Energy: 1.362615902264431
Energy: 1.317672994399502
Energy: 1.6160848491375215
Energy: 1.6358240367206094
Energy: 1.6314774975534156
Energy: 1.531801087876912
Energy: 1.635074659108724
Energy: 1.6138156511186315
Energy: 1.4750493582394246
Energy: 1.4693844061191554
Energy: 1.5065664417740658
Energy: 1.5094679772199853
Energy: 1.3132856910632216
Energy: 1.3743563952316826
Energy: 1.31085301882396

minimum gb energy = 1.2687376646495223 eV
minimum distance =  2.28891951235177 Angstroms
sigma value = 33


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

Energy: 1.3862900725901168
Energy: 1.3337024457313533
Energy: 1.335781790914494
Energy: 1.4530517991828462
Energy: 1.4565200333425108
Energy: 1.5409971865757626
Energy: 1.5722477104865853
Energy: 1.637701765585083
Energy: 1.3511983568746047
Energy: 1.3324747585462782
Energy: 1.3422006565732287
Energy: 1.7024806147987732
Energy: 1.4667278789536333
Energy: 1.5125444969290878
Energy: 1.5084523960216456
Energy: 1.4029712890549213
Energy: 1.5633156014460463
Energy: 1.5154461357865856
Energy: 1.4520890964162891
Energy: 1.3522983352579252
Energy: 1.343262181680638
Energy: 1.5183869466783997
Energy: 1.5482175075518667
Energy: 1.3206999726351283
Energy: 1.3219445201322078
Energy: 1.3328817346695954
Energy: 1.3301032472958025
Energy: 1.3301069089281188
Energy: 1.3394879795624672
Energy: 1.3283188050227925
Energy: 1.3429539238560542
Energy: 1.3247583689240945
Energy: 1.428682100750355
Energy: 1.3462178168350574
Energy: 1.3975809225349611
Energy: 1.3473871490607876
Energy: 1.5028138901495809
Energy: 1.5624941531273915
Energy: 1.342857785076252
Energy: 1.3251838931042461
Energy: 1.3420485432935523
Energy: 1.3429935054555135
Energy: 1.3255634206098321
Energy: 1.3418942198283526
Energy: 1.331034634027017
Energy: 1.332185783847882
Energy: 1.5543201039750798
Energy: 1.6429544367145783
Energy: 1.3413283996067005
Energy: 1.3353276536206853
Energy: 1.4348994915136575
Energy: 1.4637730181579163
Energy: 1.5165617528933488
Energy: 1.6076511325831795
Energy: 1.5644549660455622
Energy: 1.3059192513087796
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Energy: 1.4559533170953118
Energy: 1.6593726379303604
Energy: 1.634280296105158
Energy: 1.458246394298353
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Energy: 1.478640172751704
Energy: 1.5127184516112449
Energy: 1.4936574416019321
Energy: 1.3458837984924936
Energy: 1.626178650963669
Energy: 1.3436522149220962
Energy: 1.3033813860031451
Energy: 1.4581271228553392
Energy: 1.5677355206883614
Energy: 1.585376497611639
Energy: 1.6125144627583834
Energy: 1.3352579144305312
Energy: 1.313371975854408
Energy: 1.3158815408189102
Energy: 1.3116665044840545
Energy: 1.3446793282089369
Energy: 1.3389716714155053
Energy: 1.6596517762656469
Energy: 1.655664478912368
Energy: 1.5895838920371652
Energy: 1.546855247871071
Energy: 1.3196860957419487
Energy: 1.313699574491635
Energy: 1.3479860303365792
Energy: 1.31209457374489
Energy: 1.313170095517879
Energy: 1.3303525395645726
Energy: 1.3312490085497526
Energy: 1.3208256817891402
Energy: 1.3787935091138366
Energy: 1.3513380253322769
Energy: 1.305916269458033
Energy: 1.3389349146002985
Energy: 1.4145408651964844
Energy: 1.3356890564680988
Energy: 1.393623477893345
Energy: 1.357453627162701
Energy: 1.3841666397028833
Energy: 1.6550400413751283
Energy: 1.6761559005169124
Energy: 1.3371262648559534
Energy: 1.536873718308038
Energy: 1.5484859364361454
Energy: 1.3431549266420855
Energy: 1.3360114763935973
Energy: 1.4839064897130005
Energy: 1.4831915273251741
Energy: 1.5884565094966923
Energy: 1.654487212675388
Energy: 1.4728729066703923
Energy: 1.3378365639710934
Energy: 1.318353600506061
Energy: 1.4936350867626156
Energy: 1.4020854994449024
Energy: 1.5057209452704334
Energy: 1.5122544386022683
Energy: 1.3436583839351437
Energy: 1.3220618329563965
Energy: 1.3265670149313373
Energy: 1.3457506512761377
Energy: 1.3269318057377077
Energy: 1.3111855078716452
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Energy: 1.6291477418790534
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Energy: 1.355976032465836
Energy: 1.3469691199123217
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Energy: 1.3197506145891547
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Energy: 1.3186498942020652
Energy: 1.36004673844556
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Energy: 1.5181089024604866
Energy: 1.3294485000765357
Energy: 1.3422068494164094
Energy: 1.3433953015518418
Energy: 1.318976315509332
Energy: 1.3448762576450302
Energy: 1.324594832111056
Energy: 1.345008762227171
Energy: 1.395421577579097
Energy: 1.3895241485048329
Energy: 1.5139722439549372
Energy: 1.5234548923802778
Energy: 1.3100395843107073
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Energy: 1.4643822321945124
Energy: 1.5725123791379865
Energy: 1.488281054888827
Energy: 1.3474460336576306
Energy: 1.3321882812862276

minimum gb energy = 1.3016272141692529 eV
minimum distance =  2.29062810707293 Angstroms
sigma value = 219


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

Energy: 2.5870444839509634
Energy: 1.305733400409751
Energy: 1.3018225804999313
Energy: 1.3072065780416382
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Energy: 1.2733553730260359
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Energy: 1.2745309515613281
Energy: 1.3059175284222784
Energy: 1.2743147111479678
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Energy: 1.3080222855223782
Energy: 1.2743084110177525
Energy: 1.2725928635977557
Energy: 1.3705484196821798
Energy: 1.1982147241284493
Energy: 1.3441577562594245
Energy: 1.3073610635159096
Energy: 1.2738309428518753
Energy: 1.2484920335210743
Energy: 1.271524030907142
Energy: 1.1968071076165465
Energy: 1.1974330491684948
Energy: 1.3046740609343954
Energy: 1.2791595068427715

minimum gb energy = 1.1968071076165465 eV
minimum distance =  2.32590252563813 Angstroms
sigma value = 15


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

Energy: 1.82201138120336
Energy: 1.722148567437105
Energy: 1.729229578578531
Energy: 1.5549845160929836
Energy: 1.5521701545082713
Energy: 1.6188440444357606
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Energy: 1.5856206392400019
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Energy: 1.5554931533014926
Energy: 1.597413927012083
Energy: 1.5983142485256883
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Energy: 1.5797935221302617
Energy: 1.5527447166163386
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minimum gb energy = 1.509228357130236 eV
minimum distance =  2.28959400043988 Angstroms
sigma value = 293


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

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Energy: 1.6486299066097372
Energy: 1.5987862954293695
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Energy: 1.5605597319112685
Energy: 1.5454981105972931
Energy: 1.6618848269893085
Energy: 1.5951210455922995
Energy: 1.5656686331366987
Energy: 1.5205815558072615
Energy: 1.6883837389124217
Energy: 1.6657603209562053
Energy: 1.5425102942508577
Energy: 1.5948430381276917
Energy: 1.5495487212843686
Energy: 1.5491708553760757
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Energy: 1.6660303835397763
Energy: 1.5887991670880965
Energy: 1.5934550863437686
Energy: 1.6911888210656576
Energy: 1.617082577525625
Energy: 1.573143282693946
Energy: 1.6622339313736434
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Energy: 1.5689901889436026
Energy: 1.6094851779016883
Energy: 1.5821632632239773
Energy: 1.6298865102601152
Energy: 1.7354463375701255
Energy: 1.6620237282144272
Energy: 1.5400667060972935
Energy: 1.5525521626095022
Energy: 1.5198681523838815
Energy: 1.6964022075280718
Energy: 1.675801646792062
Energy: 1.5195691712217723
Energy: 1.590937120145897
Energy: 1.6900778692592597
Energy: 1.667832927771729
Energy: 1.5353571212119086
Energy: 1.636025043360278
Energy: 1.694899117077826
Energy: 1.5422188721633414
Energy: 1.5146472440062466
Energy: 1.5698005828312978
Energy: 1.5355372363303814
Energy: 1.6058204705679253
Energy: 1.5397161261381267
Energy: 1.573255250521217
Energy: 1.7365464188151958
Energy: 1.733134898740653
Energy: 1.722480981727255
Energy: 1.611190050208667
Energy: 1.5217972820245478
Energy: 1.5203818586196929
Energy: 1.505606671015974
Energy: 1.6053373693948507
Energy: 1.5164527557642264
Energy: 1.6496379871631706
Energy: 1.6977946028595483
Energy: 1.6974776171476504
Energy: 1.6146208971148812
Energy: 1.572941919532085
Energy: 1.6379722601894973
Energy: 1.5862624829089498
Energy: 1.5271410760860402
Energy: 1.5656515623936833
Energy: 1.6137887817291081
Energy: 1.504973332433023
Energy: 1.6449201917942875
Energy: 1.6418553723351625

minimum gb energy = 1.50385742823844 eV
minimum distance =  2.29548056564075 Angstroms
sigma value = 293


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

Energy: 1.894142150175201
Energy: 1.407562645015938
Energy: 1.4272120156188397
Energy: 1.3961654088352375
Energy: 1.400364853289565
Energy: 1.4045264143575789
Energy: 1.4049159386418286
Energy: 1.4011420862764925
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Energy: 1.4320906094425625
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Energy: 1.4095106394636552
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Energy: 1.4847103655054892
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Energy: 1.3991862646624418
Energy: 1.405527157573544
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Energy: 1.401946779947047
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Energy: 1.3968148414164785
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Energy: 1.3989118913370944
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Energy: 1.4190977236820705
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Energy: 1.4821439977708175
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Energy: 1.4084508818013504
Energy: 1.3993331039203059
Energy: 1.4006250189847078
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Energy: 1.3969086136345064
Energy: 1.4009992983908477
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Energy: 1.3106392934339766
Energy: 1.408719775927445
Energy: 1.398655509767932
Energy: 1.3091833181043455
Energy: 1.3105369948765937
Energy: 1.5573721615737823
Energy: 1.4231097144183804
Energy: 1.3688972565930022
Energy: 1.397053656276756
Energy: 1.4002456955354674
Energy: 1.3963474540615177
Energy: 1.4272736378135118
Energy: 1.399885766610644
Energy: 1.3102898206340088
Energy: 1.3088765934853936
Energy: 1.4015148161624298
Energy: 1.4275098390647822
Energy: 1.3942796327575837
Energy: 1.3956643012871108
Energy: 1.4261803497905898
Energy: 1.4096529540417242
Energy: 1.4093426184296636
Energy: 1.3977884779800984
Energy: 1.3997764179701833
Energy: 1.3949710539237359
Energy: 1.4300302436639631
Energy: 1.4009699169955945
Energy: 1.4823716232404267
Energy: 1.488289795887302
Energy: 1.4789613765412517
Energy: 1.4155953901648992
Energy: 1.4217252640828653
Energy: 1.3987351469255083
Energy: 1.483275207058251
Energy: 1.4832041215918335
Energy: 1.424064567509331
Energy: 1.409556879625858
Energy: 1.4828663737622019
Energy: 1.3909064456944784
Energy: 1.4036687900280034
Energy: 1.4015207028798742
Energy: 1.4112249993009007
Energy: 1.3979444235650755
Energy: 1.4014453691050863
Energy: 1.4285748223164694
Energy: 1.3430669027852746
Energy: 1.3095319975555224
Energy: 1.3981121758593904
Energy: 1.3999370057049332
Energy: 1.3693834784231884
Energy: 1.3997449405647702
Energy: 1.4195052025641346
Energy: 1.3981576969989649
Energy: 1.406144689261687
Energy: 1.4798177502846053
Energy: 1.308560869411226
Energy: 1.4318220589053408
Energy: 1.425253171922587
Energy: 1.3972345179829007
Energy: 1.4296910593676642
Energy: 1.4839265713451897
Energy: 1.3988835943695135
Energy: 1.3803161687674461
Energy: 1.4248729413231331
Energy: 1.4011296065650463
Energy: 1.4817194191712824
Energy: 1.4060683784791796
Energy: 1.3088574184573785
Energy: 1.4788858408108285
Energy: 1.674997012719584
Energy: 1.487646984996519
Energy: 1.4096744019261562
Energy: 1.402530992436203
Energy: 1.4078412670227982
Energy: 1.4142997239720323
Energy: 1.478853754384805
Energy: 1.4317576126312304

minimum gb energy = 1.3064306097023255 eV
minimum distance =  2.32847128221497 Angstroms
sigma value = 15


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

Energy: 1.8239407863633637
Energy: 1.5071419919809588
Energy: 1.4455629610062275
Energy: 1.4435161143343718
Energy: 1.4931791996427197
Energy: 1.4877748926782222
Energy: 1.4786510724110837
Energy: 1.4610641048642536
Energy: 1.4760655314056779
Energy: 1.5423652494179896
Energy: 1.5834237329170195
Energy: 1.526220929452449
Energy: 1.6160050443763445
Energy: 1.490626200732879
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Energy: 1.5032259435595332
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Energy: 1.5875797057936407
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Energy: 1.5304712803575788
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Energy: 1.5159473077312888
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Energy: 1.4771130920439255
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Energy: 1.48292892272601
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Energy: 1.520044499970961
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Energy: 1.5013547685449822
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Energy: 1.5171857216232387
Energy: 1.5616492852518635
Energy: 1.5187747704259866
Energy: 1.5838980914414655
Energy: 1.5125404485617815
Energy: 1.5924213703441776
Energy: 1.5901176917012996
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Energy: 1.5756328670380584
Energy: 1.539390812805326
Energy: 1.4681129870493064
Energy: 1.5468827539061223
Energy: 1.5105897112544069
Energy: 1.452948474128167
Energy: 1.47635376327038
Energy: 1.6190548484695848
Energy: 1.535158734959213
Energy: 1.5553732203306712
Energy: 1.5764184624909408
Energy: 1.4780242878549856
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Energy: 1.5186930198104616
Energy: 1.4890950243758627
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Energy: 1.5045706289870553
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Energy: 1.4967228752748971
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Energy: 1.4647161254746603
Energy: 1.4873110322009033
Energy: 1.5045758774493818
Energy: 1.4941326660766374
Energy: 1.4670865541009288
Energy: 1.4538377959697542
Energy: 1.5360857059267803
Energy: 1.6298287734160213
Energy: 1.7403038946762381
Energy: 1.7819436066069543
Energy: 1.4712336386535367
Energy: 1.4766358602253304
Energy: 1.4947580443931077
Energy: 1.4603653614673233
Energy: 1.4689730501403688
Energy: 1.4641392926711851
Energy: 1.5637070016249746
Energy: 1.5528018590317294
Energy: 1.545111222958815
Energy: 1.5717591115160967
Energy: 1.478070128175846
Energy: 1.5439802612474833
Energy: 1.4945192474887927
Energy: 1.5232467377127328
Energy: 1.5046755199994404
Energy: 1.4786928615703898
Energy: 1.647383714092789
Energy: 1.5334041344383669
Energy: 1.5347146643922271
Energy: 1.5899319329630488
Energy: 1.5182602779110759
Energy: 1.516070048298832
Energy: 1.4879635624946477
Energy: 1.5040676667318373
Energy: 1.515216482462504
Energy: 1.5595489871079298
Energy: 1.4608556021690355
Energy: 1.4657611668801853
Energy: 1.6050416620695585
Energy: 1.5409431679625216
Energy: 1.5094554859548217
Energy: 1.513125068728871
Energy: 1.4881831949688749
Energy: 1.5109443595397958
Energy: 1.5207538374879106
Energy: 1.556708312084546
Energy: 1.4667856286768175
Energy: 1.5026598716497663
Energy: 1.5655488229505756
Energy: 1.560417269404929
Energy: 1.6083310516766658
Energy: 1.5005601487730387
Energy: 1.4910482187334613
Energy: 1.6224092920828377
Energy: 1.6272891677540946
Energy: 1.5662642472490664
Energy: 1.572672702063957
Energy: 1.4958039892555206
Energy: 1.5553706766073159
Energy: 1.552773398903345
Energy: 1.6716798102156196
Energy: 1.5640842551507013
Energy: 1.5524566641975597
Energy: 1.5808201928477776
Energy: 1.5336247584766647
Energy: 1.5097311414980117
Energy: 1.5477450024174688
Energy: 1.4500435442357535
Energy: 1.5613377689044345
Energy: 1.5172045314158082
Energy: 1.5318472048105947
Energy: 1.5825030598650673
Energy: 1.566652875741447
Energy: 1.6246156538393575
Energy: 1.6264177149967352
Energy: 1.510418987439028
Energy: 1.5547914833999354
Energy: 1.5993280849377514
Energy: 1.5431647039873924
Energy: 1.5795265604895568
Energy: 1.5568079666712076
Energy: 1.593600391163894
Energy: 1.537358811613364
Energy: 1.5911380138519575
Energy: 1.5213414493878379
Energy: 1.4838106144697323
Energy: 1.6564594258410106
Energy: 1.5369456362710727
Energy: 1.5519015446543396
Energy: 1.5536152383709376
Energy: 1.5016933517343027
Energy: 1.5368423683881602
Energy: 1.534657636355531
Energy: 1.515837739899843
Energy: 1.648407462385369
Energy: 1.5041551747189863
Energy: 1.521172656299793
Energy: 1.5096078182421786
Energy: 1.5358608068857287
Energy: 1.5618064766224908
Energy: 1.4669682307795224
Energy: 1.46299827707146
Energy: 1.4901942560899368
Energy: 1.6467030656224648
Energy: 1.532412623845523
Energy: 1.4951725813316237
Energy: 1.5160627109713498
Energy: 1.5209211128531728
Energy: 1.5945535910048156
Energy: 1.565682505977834
Energy: 1.5110502417969205
Energy: 1.6471677070379718
Energy: 1.5340484743657223
Energy: 1.464070280751309
Energy: 1.473551786142992
Energy: 1.5417076071771814
Energy: 1.5357458110719515
Energy: 1.4772976353356577
Energy: 1.5723134749817596
Energy: 1.5718717560859279
Energy: 1.6477406224635192
Energy: 1.5345521310051713
Energy: 1.464580821777814
Energy: 1.4559048554390972
Energy: 1.4725363081405216
Energy: 1.5038763420815355
Energy: 1.4750360843266535
Energy: 1.459696565433841
Energy: 1.6285386902823387
Energy: 1.761962007017199
Energy: 1.5973491105771787
Energy: 1.5877307311253186
Energy: 1.4770781724002826
Energy: 1.4663031040088903
Energy: 1.474139560414784
Energy: 1.4852537642941326
Energy: 1.4908105798232865
Energy: 1.464601054701087
Energy: 1.4456953693004946
Energy: 1.5013744437848167
Energy: 1.576067085628559
Energy: 1.5128349926856441
Energy: 1.7777981985282945
Energy: 1.473456325228326
Energy: 1.4526606351439557
Energy: 1.5106513780607156
Energy: 1.484431569307751
Energy: 1.474165752698424
Energy: 1.4685395912950983
Energy: 1.5644367476918413
Energy: 1.5250375621159828
Energy: 1.6074370455832743
Energy: 1.5100110078212083
Energy: 1.5330053735917277
Energy: 1.4500639957125183
Energy: 1.5189835689094833
Energy: 1.5610112651051178
Energy: 1.479722460449952
Energy: 1.5366000723857591
Energy: 1.5753973901030842
Energy: 1.5754496346513034
Energy: 1.5877052709866764
Energy: 1.5316221096061986
Energy: 1.5668607161679722
Energy: 1.5604260525343423
Energy: 1.5598425775661058
Energy: 1.6111901768312102
Energy: 1.5206665671490884
Energy: 1.4808624765514553
Energy: 1.490437135323557
Energy: 1.5735045920904907
Energy: 1.6125621045208423
Energy: 1.5423843056000868
Energy: 1.5194731159841945
Energy: 1.5026004799884467
Energy: 1.5116349707402414
Energy: 1.6121785830668416
Energy: 1.5152804022610633
Energy: 1.5748905369688666
Energy: 1.536311616833193
Energy: 1.506765366634042
Energy: 1.623318045986122
Energy: 1.5331510741390382
Energy: 1.603937694457892
Energy: 1.5853902877133341
Energy: 1.522567107041045
Energy: 1.5300285999709682
Energy: 1.5114698404947498
Energy: 1.589607107539492
Energy: 1.592345706009725
Energy: 1.5612329102117117
Energy: 1.5882377256664626
Energy: 1.5006770297400416
Energy: 1.4835271836149462
Energy: 1.58861735718813
Energy: 1.5164437072959684
Energy: 1.5934784746118755
Energy: 1.597720675906323
Energy: 1.5775433161364618
Energy: 1.5348671957026732
Energy: 1.6032857467123365
Energy: 1.567846288091637
Energy: 1.5388110771961774
Energy: 1.5087294721715174
Energy: 1.5581674321242538
Energy: 1.5300357207056463
Energy: 1.5619358959347276
Energy: 1.5070853949580931
Energy: 1.5862164634482756
Energy: 1.4662814204343317
Energy: 1.5934941352679985
Energy: 1.5475229095445853
Energy: 1.6075852873778222
Energy: 1.5488195674233687
Energy: 1.5406534225649537
Energy: 1.5193519544481338
Energy: 1.5692912555279155
Energy: 1.5861500249204912
Energy: 1.5862185700493532
Energy: 1.5654811309971168
Energy: 1.590842436416194
Energy: 1.5903036556878676
Energy: 1.5428691773693797
Energy: 1.5772710254817355
Energy: 1.5322548879592863
Energy: 1.4822199413866604
Energy: 1.4902710069265819
Energy: 1.510475195954274
Energy: 1.4521465621962355
Energy: 1.4781344905937241
Energy: 1.6207452045530817
Energy: 1.5346916434806945
Energy: 1.5356046636087044
Energy: 1.448781916476652
Energy: 1.449172702941633
Energy: 1.4642630309701812
Energy: 1.4854699194340546
Energy: 1.5047934909833356
Energy: 1.4766150146869679
Energy: 1.4532204058367995
Energy: 1.5136454679392508
Energy: 1.4349653676569811

minimum gb energy = 1.4349653676569811 eV
minimum distance =  2.28222236203502 Angstroms
sigma value = 437


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

Energy: 1.685430713386458
Energy: 1.4323156396837615
Energy: 1.429972010154395
Energy: 1.422526327896962
Energy: 1.5027324317383213
Energy: 1.560046522831268
Energy: 1.5670882373972266
Energy: 1.451644786722785
Energy: 1.3934927190082969
Energy: 1.4144673810541621
Energy: 1.5355733419341386
Energy: 1.5492000229803142
Energy: 1.5511915675507917
Energy: 1.5391991491546226
Energy: 1.4210645104973594
Energy: 1.4313634038226335
Energy: 1.4227662922860282
Energy: 1.4002850079763935
Energy: 1.418731531105577
Energy: 1.6365945386944398
Energy: 1.5578027703245194
Energy: 1.4493719377081888
Energy: 1.5390253194236965
Energy: 1.5585911481642987
Energy: 1.4202006195894714
Energy: 1.4746438717549184
Energy: 1.478800541804258
Energy: 1.4194228724027236
Energy: 1.423273932000929
Energy: 1.6367000960885516
Energy: 1.58913210444909
Energy: 1.4233651065375736
Energy: 1.5333910671611892
Energy: 1.4589253802043851
Energy: 1.4518836066888647
Energy: 1.4636075657846368
Energy: 1.4251321728298547
Energy: 1.3887652487394877
Energy: 1.359335493788748
Energy: 1.799562144896474
Energy: 1.4305281949440303
Energy: 1.548639338729885
Energy: 1.454690847802698
Energy: 1.3904257358960161
Energy: 1.3873850787244388
Energy: 1.5685057041522945
Energy: 1.598117571378985
Energy: 1.4554503644077368
Energy: 1.5547061114517753
Energy: 1.4219413864388097
Energy: 1.4861708985834972
Energy: 1.630075063268097
Energy: 1.4563601061377829
Energy: 1.5502372548883356
Energy: 1.5504902464922712
Energy: 1.4472958240891083
Energy: 1.39273372308388
Energy: 1.5642286185719845
Energy: 1.554459072910614
Energy: 1.4485018268377632
Energy: 1.6826430687471658
Energy: 1.4588755564106735
Energy: 1.4173696407323082
Energy: 1.6216077690413484
Energy: 1.536220593686501
Energy: 1.4569092905859902
Energy: 1.387725371968809
Energy: 1.3882601809792332
Energy: 1.5869752868114588
Energy: 1.7918656992265554
Energy: 1.628982013164585
Energy: 1.4383731695179998
Energy: 1.389189478096712
Energy: 1.4956240445888607
Energy: 1.5486596731728424
Energy: 1.483145274254913
Energy: 1.565347097265556
Energy: 1.4503869700612346
Energy: 1.454680350463229
Energy: 1.3600237792034204
Energy: 1.5512140291941259
Energy: 1.6431432756890045
Energy: 1.555184919293623
Energy: 1.538656409296328
Energy: 1.422907630244588
Energy: 1.4700580095325808
Energy: 1.4014393857242744
Energy: 1.4230172555310474
Energy: 1.426588375599841
Energy: 1.6406698920053926
Energy: 1.5560704202915367
Energy: 1.4244382198509504
Energy: 1.5400104136525778
Energy: 1.4922098593394246
Energy: 1.4203480955730774
Energy: 1.4340364434946722
Energy: 1.4493563718894897
Energy: 1.387820420151339
Energy: 1.411278759510282
Energy: 1.5063167948929037
Energy: 1.3960389132749693
Energy: 1.3847214280019027
Energy: 1.419235229496159
Energy: 1.3954329509030476
Energy: 1.4547970015187321
Energy: 1.4857917712565314
Energy: 1.5603102294763913
Energy: 1.5001720964550158
Energy: 1.4332628031053278
Energy: 1.3882758580100565
Energy: 1.4885828295458974
Energy: 1.506102817375518
Energy: 1.616409070171442
Energy: 1.6157923954650861
Energy: 1.599877268046123
Energy: 1.4722747189045309
Energy: 1.3950847752592324
Energy: 1.5169658672215611
Energy: 1.554718700253804
Energy: 1.4208808064099439
Energy: 1.4545335999390698
Energy: 1.548772184609571
Energy: 1.4512075636034025
Energy: 1.5411573354619137
Energy: 1.5265494653748266
Energy: 1.4447888312647124
Energy: 1.3919053388348062
Energy: 1.5670972017094558
Energy: 1.554604602682654
Energy: 1.4502254486792772
Energy: 1.6286504451794594
Energy: 1.4378261180279779
Energy: 1.419897993095505
Energy: 1.4236141792583512
Energy: 1.6301762869486833
Energy: 1.424353107387457
Energy: 1.5667505113942963
Energy: 1.3930124222274463
Energy: 1.4291978186146408
Energy: 1.3601882381430523

minimum gb energy = 1.359335493788748 eV
minimum distance =  2.31452876313438 Angstroms
sigma value = 33