Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
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=2.85487599670887
cohesive_energy=3.874281369635567
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=[1.0819610961766379e-19, 1.91867060628036e-19, 2.6127175023628197e-19, 3.2265434143809e-19, 3.7218242772493196e-19, 4.11354044249598e-19, 4.423801947670079e-19, 4.67668950758064e-19, 4.89386455031934e-19, 5.0881925542572e-19, 5.26390326570798e-19, 5.421429272362859e-19, 5.560994878950599e-19, 5.68333708672284e-19, 5.78964150638874e-19, 5.88147827104962e-19, 5.96028933967608e-19, 6.027372475341659e-19, 6.083464679297999e-19, 6.12887036510556e-19, 6.16370168512872e-19, 6.188070791731859e-19, 6.20225005494276e-19, 6.20680023658332e-19, 6.202009728447659e-19, 6.18682109395734e-19, 6.15998463533784e-19, 6.120074415384899e-19, 6.065263952735759e-19, 5.9935825701305995e-19, 5.902659046151099e-19, 5.78983376758482e-19, 5.652158729425199e-19, 5.48287274627676e-19, 5.2690782962358e-19, 4.995458570681279e-19, 4.64139355633362e-19, 4.1881698301077e-19, 3.6221688906145197e-19, 2.9257347513474e-19, 2.07028458115578e-19, 9.86503412322918e-20, -5.42678054232042e-20, -2.84419998244314e-19, -6.53515031595528e-19, -1.272669783098292e-18, -2.3511301233296397e-18, -4.3375888229945395e-18, -8.323227504798299e-18, -1.7127107999796598e-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: -0.141421623913241 eV

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

Energy: 0.013553604477612117
Energy: 0.10542008002848637
Energy: 0.09075986555786003
Energy: 0.09235048600628763
Energy: 0.10746044535538019
Energy: 0.08948346691630099
Energy: 0.10384153154334484
Energy: 0.09120667277010001
Energy: 0.09239659215737771
Energy: 0.016342644175617253
Energy: 0.09009680718820388
Energy: 0.08948777752439907
Energy: 0.10380271698011137
Energy: 0.014414873322792161
Energy: 0.014793443876358248
Energy: 0.0896338591137455
Energy: 0.08964087017377861
Energy: 0.10565015525833767
Energy: 0.08993523087257987
Energy: 0.10586379419314808
Energy: 0.09000982411011109
Energy: 0.08983063008320986
Energy: 0.10304414278048211
Energy: 0.01714420707532043
Energy: 0.09221735083384087
Energy: 0.0895922021515696
Energy: 0.015616835164584227
Energy: 0.014088313794963097
Energy: 0.10304382776155092
Energy: 0.0906604841477691
Energy: 0.015159990207409466
Energy: 0.10513495381399666
Energy: 0.0895805468660162
Energy: 0.08982734182458973
Energy: 0.09397707006106665
Energy: 0.08936200999163695
Energy: 0.014553705887711597
Energy: 0.014415065809628492
Energy: 0.08965807855609093
Energy: 0.013839476863535491
Energy: 0.015678413028284727
Energy: 0.09360153646767674
Energy: 0.09051009708786968
Energy: 0.014799673558908346
Energy: 0.013724048437186501
Energy: 0.0894843525322751
Energy: 0.09205149215514656
Energy: 0.09091858604369989
Energy: 0.08938950487772464
Energy: 0.013630718670714527
Energy: 0.0899313975991327
Energy: 0.09223285691682616
Energy: 0.10625118345051912
Energy: 0.014345381668469341
Energy: 0.013833269400486606
Energy: 0.09051028336707939
Energy: 0.014196789305195088
Energy: 0.015315198279842077
Energy: 0.10417113111883393
Energy: 0.09467563888491275
Energy: 0.013766175314554645
Energy: 0.10384324925709806
Energy: 0.08937779533011563
Energy: 0.10327893303964929
Energy: 0.08989818269749585
Energy: 0.08938107228994505
Energy: 0.014135271260183557
Energy: 0.01563323206129708
Energy: 0.10314128406284008
Energy: 0.09108527995859461

minimum gb energy = 0.013553604477612117 eV
minimum distance =  2.4706718642643 Angstroms
sigma value = 3


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

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Energy: 1.3363874455984392
Energy: 1.3227648014014624
Energy: 1.3003516090967389
Energy: 1.3367209721350648
Energy: 1.323028337783557
Energy: 1.3298879209667964
Energy: 1.3537217078587778
Energy: 1.3236190392804414
Energy: 1.4433315951983594
Energy: 1.3375036063065238
Energy: 1.3250166511512496
Energy: 1.3496087231557496
Energy: 1.4143325831502227
Energy: 1.337889465345265
Energy: 1.319919241617827
Energy: 1.3519768047899448
Energy: 1.3687525686311064
Energy: 1.3073972062544903
Energy: 1.339159790977074
Energy: 1.3014450067855123
Energy: 1.2608267013866017
Energy: 1.342449417651336
Energy: 1.355392955063202
Energy: 1.3731358691822195
Energy: 1.3371904548074305
Energy: 1.4528054230660243
Energy: 1.2719203706794007
Energy: 1.338439736545656
Energy: 1.316843345176386
Energy: 1.4993966189429448
Energy: 1.3157644240476487
Energy: 1.3374835533633693
Energy: 1.2990339615173474
Energy: 1.2806262179265482
Energy: 1.3541640678922942
Energy: 1.3625607470276415
Energy: 1.3973152768553019
Energy: 1.2945914642741074
Energy: 1.2990493505976057
Energy: 1.4949668832724803
Energy: 1.2963577016923895
Energy: 1.5210744795256954
Energy: 1.4995997884352275
Energy: 1.2752487726740986
Energy: 1.3421051554449388
Energy: 1.3773047987187337
Energy: 1.2993878536403063
Energy: 1.3001193735354863
Energy: 1.2674767862372793
Energy: 1.3465734030901446
Energy: 1.2722522059834158
Energy: 1.307178381065635
Energy: 1.2737424666644805
Energy: 1.5200948613840022
Energy: 1.3438665053127408
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Energy: 1.2626626495260072
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Energy: 1.2760134069199136
Energy: 1.3438192530009225
Energy: 1.2987194458776126
Energy: 1.259868160436003
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Energy: 1.341784956802202
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Energy: 1.3835340919401264
Energy: 1.273406804508124
Energy: 1.2724435059558878
Energy: 1.3156614034043859
Energy: 1.2592955357893074
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Energy: 1.260811286624675
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Energy: 1.2797759680145038
Energy: 1.270500526235458
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Energy: 1.3562105992716447
Energy: 1.3363912478422182
Energy: 1.362453006886314
Energy: 1.2925854549795937
Energy: 1.3626635747188887
Energy: 1.3441714967654483
Energy: 1.261131459497281
Energy: 1.320476071276705
Energy: 1.4336856223086525
Energy: 1.3328223595021935
Energy: 1.3292761728463909
Energy: 1.3425979962661245
Energy: 1.371339053325934
Energy: 1.5227833580382153
Energy: 1.265056475156202
Energy: 1.3223609053723917
Energy: 1.3283846232041892
Energy: 1.3466829159933522
Energy: 1.3366941712462928
Energy: 1.3223422907393503
Energy: 1.332780800821008
Energy: 1.3479461652189926
Energy: 1.331148022287792
Energy: 1.3430259056680796
Energy: 1.4511600637039708
Energy: 1.360768635966134
Energy: 1.2605846430128742
Energy: 1.4039530307184331
Energy: 1.3330104947884949
Energy: 1.494579049566799
Energy: 1.2939725720200521
Energy: 1.2691424551241355
Energy: 1.3334300363668556
Energy: 1.3470416169143737
Energy: 1.3530379288934766
Energy: 1.2611002571831518
Energy: 1.3401432483575038
Energy: 1.4195766567958794
Energy: 1.339949579370525
Energy: 1.3514141051810453
Energy: 1.2594296052816507
Energy: 1.5008832205577687
Energy: 1.3045511951188153
Energy: 1.2990295840683637
Energy: 1.5685999538056012
Energy: 1.318643866489329
Energy: 1.3512554076150782
Energy: 1.2974945942772353
Energy: 1.2872177211239444
Energy: 1.3394418122675673
Energy: 1.3732209665236945
Energy: 1.2946182420570367
Energy: 1.2988821093317917
Energy: 1.2787052660249811
Energy: 1.493959835581505
Energy: 1.4482994597896717
Energy: 1.5210452837257347
Energy: 1.5018793155872043
Energy: 1.275115232540942
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Energy: 1.4425508956252635
Energy: 1.2597519900516347
Energy: 1.2988985609350163
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Energy: 1.2729015151255898
Energy: 1.2754760141926738
Energy: 1.2585154429315701
Energy: 1.5248380391946081
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Energy: 1.2656657029369158
Energy: 1.451316337775276
Energy: 1.2966200205124228
Energy: 1.3251553762305874
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Energy: 1.2641796114848516
Energy: 1.2677596541364633
Energy: 1.2726696548055905
Energy: 1.31843470681296
Energy: 1.2708790661073708
Energy: 1.3656714164222044
Energy: 1.443471604553281
Energy: 1.259099447612942
Energy: 1.3416693208560553
Energy: 1.2605748398560652
Energy: 1.2735223785706546
Energy: 1.2736112716244237
Energy: 1.3152586639554134
Energy: 1.300590514836403
Energy: 1.2723740189217294
Energy: 1.3720200924658055
Energy: 1.3435754157593662
Energy: 1.2576916018297266
Energy: 1.3826275456686659
Energy: 1.3751123705449084
Energy: 1.2683636443261972
Energy: 1.2770399873781917
Energy: 1.2582671594735257
Energy: 1.306878116187391
Energy: 1.2889769882011186
Energy: 1.2599880903000604
Energy: 1.2559450029434802
Energy: 1.3428852746537459
Energy: 1.3398945149012926
Energy: 1.4503650218278468
Energy: 1.2594027339830454
Energy: 1.2604631943130187
Energy: 1.3177859780420424
Energy: 1.3455855628987103
Energy: 1.2750227446697475
Energy: 1.294363864166828
Energy: 1.2726513903495613
Energy: 1.2854518244161477
Energy: 1.3055422104951773
Energy: 1.2616955412380173
Energy: 1.447250656724643
Energy: 1.352136253980115
Energy: 1.3934620621016318
Energy: 1.5231790296755705
Energy: 1.3091805480683343
Energy: 1.2950285782229933
Energy: 1.3011484383950367
Energy: 1.2758412806612272
Energy: 1.297815508065797
Energy: 1.2798468794755442
Energy: 1.4031797922002422
Energy: 1.3440736937117022
Energy: 1.3053149133595492
Energy: 1.386924343976563
Energy: 1.3164907311178267
Energy: 1.4718950957031895
Energy: 1.5095653279544787
Energy: 1.2822792098771683
Energy: 1.3046781821758915
Energy: 1.3206084179768405
Energy: 1.3187537098690836
Energy: 1.289640259009603
Energy: 1.2878911036045817
Energy: 1.34381614530916
Energy: 1.3461699101471363
Energy: 1.2608254356936304
Energy: 1.319852973688783
Energy: 1.2889146589681053
Energy: 1.510634569510522
Energy: 1.55567027668905
Energy: 1.2716928585096283
Energy: 1.3453556426427304
Energy: 1.2930160294700381
Energy: 1.4900793629090894
Energy: 1.3415253407095207
Energy: 1.3191536024737853
Energy: 1.3276325870463503
Energy: 1.3362913429875793
Energy: 1.33363625109001
Energy: 1.3284348131470998
Energy: 1.4949315102023217
Energy: 1.2929851924260807
Energy: 1.293913094097251

minimum gb energy = 1.2559450029434802 eV
minimum distance =  2.22118473282567 Angstroms
sigma value = 75


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

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Energy: 1.3954685469053965
Energy: 1.4099914909452191
Energy: 1.4212337189448938
Energy: 1.3968279574773041
Energy: 1.431438555322593
Energy: 1.450403569765892
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Energy: 1.4084369382463793
Energy: 1.3928213964215062
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Energy: 1.4165456064151625
Energy: 1.4060511091495387
Energy: 1.5179547341103308
Energy: 1.377269767923556
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Energy: 1.3922379445315327
Energy: 1.4956532661957855
Energy: 1.4156411568394467
Energy: 1.3870956772225131
Energy: 1.393980064802544
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Energy: 1.4046724011192082
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Energy: 1.501652165077769
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Energy: 1.4112622086739894
Energy: 1.4775699449582398
Energy: 1.468513782399831
Energy: 1.3499954758899622
Energy: 1.3752052122666907
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Energy: 1.4455803953467468
Energy: 1.4913434105523349
Energy: 1.4859165492941988
Energy: 1.4311431914437276
Energy: 1.482881091714058
Energy: 1.4865393763095014
Energy: 1.439287363269191
Energy: 1.349472427165202
Energy: 1.356305102254329
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Energy: 1.3682661458415772
Energy: 1.4515861545514435
Energy: 1.4118648616124534
Energy: 1.4205808294778277
Energy: 1.4311686585656085
Energy: 1.3536380285528913
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Energy: 1.439089776480709
Energy: 1.3551844559309985
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Energy: 1.3652617492335237
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Energy: 1.4462258449551497
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Energy: 1.4121235407212753
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Energy: 1.4953694274756428
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Energy: 1.4108320196201025
Energy: 1.4251939841936414
Energy: 1.4145846009536855
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Energy: 1.4311858116148608
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Energy: 1.5151392233196894
Energy: 1.440491501555387
Energy: 1.4364919522648383
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Energy: 1.4237779513909508
Energy: 1.4304414047198046
Energy: 1.3626219117080292
Energy: 1.3571808375664618
Energy: 1.4400736771914506
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Energy: 1.3681739254925034
Energy: 1.3745788100991638
Energy: 1.372102289301752
Energy: 1.3636951566565312
Energy: 1.3652505298561133
Energy: 1.358813097510875
Energy: 1.4209690010965268
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Energy: 1.3512082526939333
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Energy: 1.432554553662805
Energy: 1.3782566645994683
Energy: 1.3709758755412889
Energy: 1.3552851059245528
Energy: 1.363553718510257
Energy: 1.3683851369011377
Energy: 1.4006002898628591
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Energy: 1.3647244682950328
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Energy: 1.3551566689382617
Energy: 1.3746988994031215
Energy: 1.4017302319777019
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Energy: 1.3591644066478967
Energy: 1.4205212276784582
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Energy: 1.472252231483482
Energy: 1.382218186373892
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Energy: 1.512611042623967
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Energy: 1.3898709536236349
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Energy: 1.4588026010690092
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Energy: 1.3835840201634195
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Energy: 1.5638395912462275
Energy: 1.4625259621362805
Energy: 1.3953665454165722
Energy: 1.4744175939386022
Energy: 1.488996945710149
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minimum gb energy = 1.337701804586652 eV
minimum distance =  2.20268472274303 Angstroms
sigma value = 105


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

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Energy: 1.4620170081125736
Energy: 1.4631462702698714
Energy: 1.401458379618379
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Energy: 1.3702024154168266
Energy: 1.4967516575006152
Energy: 1.3771899783742183
Energy: 1.4994067075948394
Energy: 1.4764335438276044
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Energy: 1.4909160340257965
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Energy: 1.346385784523481
Energy: 1.359645895735487
Energy: 1.404708372374887
Energy: 1.4490233831272605
Energy: 1.3819477437361738
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Energy: 1.4682498145064262
Energy: 1.3510737209102606
Energy: 1.3902226676908889
Energy: 1.3481791593030976
Energy: 1.3485806424578666
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Energy: 1.385995718614333
Energy: 1.3890888284052338
Energy: 1.3499662207129857
Energy: 1.3502768983251197
Energy: 1.423917620538614
Energy: 1.358212320866377
Energy: 1.374669065810556
Energy: 1.355374720992779
Energy: 1.368361608077459
Energy: 1.3413985157214363
Energy: 1.3692499222783379
Energy: 1.3891907869552993
Energy: 1.4550317509209423
Energy: 1.4330318367871078
Energy: 1.4150047065985596
Energy: 1.412580127871141
Energy: 1.3698614262568412
Energy: 1.5103799112233518
Energy: 1.3548507942149965
Energy: 1.3551567116340704
Energy: 1.3421839477349669
Energy: 1.4284355910039612
Energy: 1.4507565022216418
Energy: 1.3987162560223398
Energy: 1.36612475198165
Energy: 1.374114309477091
Energy: 1.5359064657678512
Energy: 1.4560271925847974
Energy: 1.4445395720837921
Energy: 1.466514156389525
Energy: 1.3421838745964159
Energy: 1.5022123844821171
Energy: 1.3960563151092225
Energy: 1.3633201635169698
Energy: 1.3829237109656418
Energy: 1.3530663684184216
Energy: 1.4251802451368007
Energy: 1.448810885548897
Energy: 1.4632926975320086
Energy: 1.5170426541008428
Energy: 1.3730218418679319

minimum gb energy = 1.3045323701844105 eV
minimum distance =  2.23228533450297 Angstroms
sigma value = 165


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

Energy: 1.5339311075804787
Energy: 1.306078193928996
Energy: 1.3174212334107942
Energy: 1.3021515493864186
Energy: 1.3282710238070603
Energy: 1.2925341531972294
Energy: 1.3331191068966577
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Energy: 1.3082169020912482
Energy: 1.2585498084172555
Energy: 1.357997293745388
Energy: 1.53454809183348
Energy: 1.5287860078736897
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Energy: 1.3287734304805467
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Energy: 1.335601241201682
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Energy: 1.3258844965137666
Energy: 1.3003689589061034
Energy: 1.316136391777593
Energy: 1.2978259221415722
Energy: 1.3439982523428688
Energy: 1.357788700732714
Energy: 1.3057610958430708
Energy: 1.3797478661859857
Energy: 1.351587453674732
Energy: 1.3434700476706403
Energy: 1.3102249430410133
Energy: 1.300472526829012
Energy: 1.313070394199555
Energy: 1.3195071512581444
Energy: 1.365247421021985
Energy: 1.3252659898167753
Energy: 1.3145689617992293
Energy: 1.3355523802766753
Energy: 1.3383950671467169
Energy: 1.3029360658405256
Energy: 1.2906184279067674
Energy: 1.3033346895333486
Energy: 1.32859022383428
Energy: 1.3201841487965191
Energy: 1.3606253836409536
Energy: 1.2913091853303074
Energy: 1.3695159583049683
Energy: 1.3590182546281182
Energy: 1.575333350459885
Energy: 1.2906656400728933
Energy: 1.2941671616037322
Energy: 1.3074810656493019
Energy: 1.3387820889790325
Energy: 1.326306855457926
Energy: 1.3050255780080586
Energy: 1.3162367621048772
Energy: 1.3151282606632495
Energy: 1.35964336418299
Energy: 1.4401506023463508
Energy: 1.4051996347822384
Energy: 1.3064110444958736
Energy: 1.5490275960646578

minimum gb energy = 1.2585498084172555 eV
minimum distance =  2.22220881519923 Angstroms
sigma value = 41


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

Energy: 2.6312551116498226
Energy: 1.321608863142846
Energy: 1.3206391568359357
Energy: 1.2413447272458227
Energy: 1.250517031460063
Energy: 1.324154226709832
Energy: 1.3236443465496057
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Energy: 1.3241676223293686
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Energy: 1.1861133133410076
Energy: 1.1789146868925147
Energy: 1.231725956704713
Energy: 1.360774990768296
Energy: 1.3419102029270076
Energy: 1.302580249707863
Energy: 1.312900547386716
Energy: 1.2484859808604858
Energy: 1.294791033880519
Energy: 1.3259610256409777
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Energy: 1.23867844409394
Energy: 1.2398504723493824
Energy: 1.2372688389320967
Energy: 1.2235443383383893
Energy: 1.2243067821553635
Energy: 1.2867280520670321
Energy: 1.3371646007444622
Energy: 1.3189842770870608
Energy: 1.311367004871255
Energy: 1.238321451974899
Energy: 1.2384728650628145
Energy: 1.2373600492777381
Energy: 1.1947327386534878
Energy: 1.2275836710225199
Energy: 1.2434778435793732
Energy: 1.2783098026662458
Energy: 1.2463532273457345
Energy: 1.2866377196492538
Energy: 1.3136925332124931
Energy: 1.3240713666648716
Energy: 1.2425266341382568
Energy: 1.171098577916268
Energy: 1.1863603347440048
Energy: 1.2625483661207086
Energy: 1.223507243141479
Energy: 1.2688636503721857
Energy: 1.2307364280170887
Energy: 1.2271462858438666
Energy: 1.2725837595472425
Energy: 1.3477169935390487
Energy: 1.2228150351076261
Energy: 1.1081391882547895
Energy: 1.2972239865455057
Energy: 1.2903251201150836
Energy: 1.3251024123238437
Energy: 1.3588748423537815
Energy: 1.3171257919902504
Energy: 1.3236400781883213
Energy: 1.2879320883583187
Energy: 1.2872747940292268
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Energy: 1.2256114983695856
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Energy: 1.2395805945422744
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Energy: 1.3010541847574066
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Energy: 1.2322376517281792
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Energy: 1.3239003225059427
Energy: 1.2342374537012442
Energy: 1.2408800792281311
Energy: 1.234496663972388
Energy: 1.235891868739086
Energy: 1.2011039996553998
Energy: 1.233111716863669
Energy: 1.1739109294088688
Energy: 1.361221616964966
Energy: 1.3341319358927537
Energy: 1.3236514839349303
Energy: 1.3107554737628726
Energy: 1.237994222004203
Energy: 1.225090771042691
Energy: 1.1977803690685498
Energy: 1.2523155462608455
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Energy: 1.2287773231300532
Energy: 1.288044908938566
Energy: 1.2482698403233108
Energy: 1.3530309228185096
Energy: 1.362644536213017
Energy: 1.3372960893858432
Energy: 1.2241041529425638
Energy: 1.173589403595541
Energy: 1.2898723686769173
Energy: 1.2856663705735643
Energy: 1.2206906374801092
Energy: 1.2204427757998513
Energy: 1.3094287168626588
Energy: 1.3394487103786552
Energy: 1.3334295940804597
Energy: 1.33542929762309
Energy: 1.2257666429939054
Energy: 1.1831586273691517
Energy: 1.3240220524169213
Energy: 1.3115585682290243
Energy: 1.2228604629733448
Energy: 1.259459920932051
Energy: 1.301446899630191
Energy: 1.320738817507565
Energy: 1.29497497412353
Energy: 1.2784205742227022
Energy: 1.2221436770312222
Energy: 1.3110227245318962
Energy: 1.3747704191199113
Energy: 1.2198176067543174
Energy: 1.2835912605352684
Energy: 1.2916078550040955
Energy: 1.2895112175993353
Energy: 1.2765384231430303
Energy: 1.1740928775349533
Energy: 1.173951117495382
Energy: 1.2236208115923854
Energy: 1.301165282453272
Energy: 1.228345641393831
Energy: 1.2223938684961566
Energy: 1.219368270037792
Energy: 1.2352795619039132
Energy: 1.277533906326617
Energy: 1.2819076683088075
Energy: 1.3241648168455318
Energy: 1.2361477111039494
Energy: 1.229751640367056
Energy: 1.226155099599104
Energy: 1.2287394057255647
Energy: 1.2151893049031919
Energy: 1.210957228846211
Energy: 1.2136381159410334
Energy: 1.29141068500347
Energy: 1.3483733687197565
Energy: 1.325840021666296
Energy: 1.3225213104325708
Energy: 1.2537091648332128
Energy: 1.2202304071467431
Energy: 1.22653711495301
Energy: 1.2178939127565536
Energy: 1.2151000559410752
Energy: 1.2963027194851862
Energy: 1.2159311755095168
Energy: 1.2946975758103476
Energy: 1.272604837642205
Energy: 1.370694240075008
Energy: 1.2269785709881351
Energy: 1.2218801993379909
Energy: 1.2285245937433817
Energy: 1.2855326837775576
Energy: 1.2988262417706553
Energy: 1.2427865959054551
Energy: 1.264388769221176
Energy: 1.2555414287736124
Energy: 1.3702130762858078
Energy: 1.2717378455695756
Energy: 1.296294784978053
Energy: 1.2706623825654595

minimum gb energy = 1.1080830998559854 eV
minimum distance =  2.2123726276417 Angstroms
sigma value = 185


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

Energy: 2.3760966759875144
Energy: 1.14178476449924
Energy: 1.2928740943118877
Energy: 1.2918078566673252
Energy: 1.29568932717292
Energy: 1.3436297554684542
Energy: 1.4276755616664465
Energy: 1.3440793445112138
Energy: 1.2923115209495073
Energy: 1.1394897665423027
Energy: 1.2945448855119845
Energy: 1.4331930283109242
Energy: 1.2946110421036432
Energy: 1.1292886552948784
Energy: 1.1300933415884524
Energy: 1.2946684922208664
Energy: 1.4458563638841413
Energy: 1.4270184355778102
Energy: 1.4282293382173534
Energy: 1.2928254980838692
Energy: 1.2948144698260096
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Energy: 1.296143460702597
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Energy: 1.2923545097491258
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Energy: 1.1477932676076559
Energy: 1.1655687426992576
Energy: 1.163687326452386
Energy: 1.1670637296441446
Energy: 1.151384843616234
Energy: 1.293812132087494
Energy: 1.3443982696564662
Energy: 1.4271954819816048
Energy: 1.425153007947722
Energy: 1.2930675757030217
Energy: 1.1498495909179303
Energy: 1.1663790077208596
Energy: 1.1631995000822402
Energy: 1.2941729025063733
Energy: 1.2964377742226647
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Energy: 1.1425139928230155
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Energy: 1.4515279740959761
Energy: 1.296468305232067
Energy: 1.2966287217450323
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Energy: 1.4299710570352733
Energy: 1.4262147234751463
Energy: 1.3416527704913261
Energy: 1.2945407649102367
Energy: 1.4111732637299341
Energy: 1.1452973959817558
Energy: 1.139615094680543
Energy: 1.2963271499741513
Energy: 1.33699142626316
Energy: 1.1510641459538402
Energy: 1.1403078463909668
Energy: 1.4257741920850762
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Energy: 1.4340427924152568
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Energy: 1.3469676287121257
Energy: 1.1502226397969497
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Energy: 1.1647681064426008
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Energy: 1.296827693771056
Energy: 1.2965887143612214
Energy: 1.2914502196759854
Energy: 1.3412630122947433
Energy: 1.4469606854505177
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Energy: 1.1657793741147187
Energy: 1.1657134091034203
Energy: 1.1366920054476353
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Energy: 1.2954801423575537
Energy: 1.2920564990724237
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Energy: 1.2932811767641343
Energy: 1.2957389585439256
Energy: 1.4143227896609294
Energy: 1.4446565643735205
Energy: 1.4433662006100725
Energy: 1.4285934321436018
Energy: 1.2924561222649695
Energy: 1.4095052834652089
Energy: 1.41391810060922
Energy: 1.1487770980852592
Energy: 1.1287444468684857
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Energy: 1.1386074975855913
Energy: 1.1434952083343102
Energy: 1.3456643599378681
Energy: 1.298817157608653
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Energy: 1.2923016706749206
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Energy: 1.2929643978410819
Energy: 1.3372837918858915
Energy: 1.3008426897672283
Energy: 1.4254652376352839
Energy: 1.426883731025914
Energy: 1.3440772386869477
Energy: 1.139320414696803
Energy: 1.148693189323351
Energy: 1.1645847250426202
Energy: 1.164126107337492
Energy: 1.2930763589286574
Energy: 1.2964841430561684
Energy: 1.3429686952769846
Energy: 1.137214461208652
Energy: 1.3443685075369436
Energy: 1.4263329104449094
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Energy: 1.2979410869859178
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Energy: 1.2932925799902892
Energy: 1.3154943259415428
Energy: 1.2915121158822787
Energy: 1.297551677596245
Energy: 1.4247096592995945
Energy: 1.338000627821257
Energy: 1.4155171618822735
Energy: 1.4111101736214533
Energy: 1.13948266162047
Energy: 1.1385261583215953
Energy: 1.2981840700039076
Energy: 1.2976671659734065
Energy: 1.4282242292624412
Energy: 1.426940858817428
Energy: 1.4252354920486023
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Energy: 1.338172612766428
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Energy: 1.1442730076547014
Energy: 1.342934614598312
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Energy: 1.2927774557208087
Energy: 1.2970536441366216
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Energy: 1.3450625977025448
Energy: 1.4243365492013016
Energy: 1.2951373002912472
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Energy: 1.166211939531036
Energy: 1.1620355725977378
Energy: 1.1655842912371301
Energy: 1.149711287062972
Energy: 1.2941769479591998
Energy: 1.3431386751189922
Energy: 1.4266676615186176
Energy: 1.2933263067439944
Energy: 1.4327295437328837
Energy: 1.2967659043849746
Energy: 1.29316281016298
Energy: 1.2974632134430673
Energy: 1.2947337721402712
Energy: 1.147429067842113
Energy: 1.1393644259802007
Energy: 1.1435036188805918
Energy: 1.300298890397467
Energy: 1.2941490930195036
Energy: 1.1350514981871571
Energy: 1.4096550540228374
Energy: 1.4347256034316018
Energy: 1.4329565729768758
Energy: 1.3006414648879365
Energy: 1.291971635872047
Energy: 1.344097568635229
Energy: 1.4260027651544338
Energy: 1.3009086579258093
Energy: 1.4296697837400516
Energy: 1.2950413613361318
Energy: 1.4099570098435348
Energy: 1.2940288440147074
Energy: 1.2958987814099021
Energy: 1.1280615198444746
Energy: 1.300934711935943
Energy: 1.4328956616514987
Energy: 1.424857764703626
Energy: 1.426400667693223
Energy: 1.1392787251407956
Energy: 1.151373360027821
Energy: 1.2934588653127206
Energy: 1.2986945357090365
Energy: 1.2932555861179327
Energy: 1.2947748161898585
Energy: 1.2951420122738464
Energy: 1.1390000056775562
Energy: 1.1429160119540365
Energy: 1.140467990191283
Energy: 1.1423991814479193
Energy: 1.163898306702901
Energy: 1.1647845293288435
Energy: 1.1654312708422212
Energy: 1.2975259937685195
Energy: 1.2917007396773714
Energy: 1.34276489854773
Energy: 1.4456476867593648
Energy: 1.4247001660414198
Energy: 1.2985150116231563
Energy: 1.294872872987366
Energy: 1.2944633810702384
Energy: 1.1644122722429315
Energy: 1.2889014063260047
Energy: 1.1642412831029292
Energy: 1.1355027477412936
Energy: 1.1444526629885863
Energy: 1.1426841373853773
Energy: 1.3431280085512713
Energy: 1.4493615016362376
Energy: 1.4084724808935765
Energy: 1.4337169692426317
Energy: 1.4346491929660785
Energy: 1.291666267066391
Energy: 1.2983798967635496
Energy: 1.2943610741881
Energy: 1.1413927928494476
Energy: 1.1469506960330909
Energy: 1.1386061618163923
Energy: 1.1377685738346446

minimum gb energy = 1.1280615198444746 eV
minimum distance =  2.2623710022046 Angstroms
sigma value = 33


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

Energy: 1.5585105822174632
Energy: 1.3786789161409139
Energy: 1.5206291406749592
Energy: 1.254146448517093
Energy: 1.3660257891880305
Energy: 1.4272318171542846
Energy: 1.4398650977310792
Energy: 1.4567668781812155
Energy: 1.3776886357816895
Energy: 1.4286564576268597
Energy: 1.255234271997734
Energy: 1.4520696773141866
Energy: 1.4789943962261136
Energy: 1.4084302803885596
Energy: 1.4258318649865038
Energy: 1.4964565750812486
Energy: 1.4318617543410002
Energy: 1.3757075417483697
Energy: 1.3722518257220069
Energy: 1.2566414210607442
Energy: 1.2544203430432768
Energy: 1.3813638460529631
Energy: 1.4467880970124243
Energy: 1.3033698676494743
Energy: 1.3776769729446015
Energy: 1.3067973168729419
Energy: 1.2571122566447301
Energy: 1.257181115400285
Energy: 1.2562328350500025
Energy: 1.2447984876625318
Energy: 1.2523756420965533
Energy: 1.2551404343707164
Energy: 1.295979793135086
Energy: 1.2664086273869304
Energy: 1.263616257808599
Energy: 1.3552376674106812
Energy: 1.37603217545518
Energy: 1.3834656649433765
Energy: 1.256147453069682
Energy: 1.2562693385486625
Energy: 1.2545480312598043
Energy: 1.2557706443952743
Energy: 1.3569895192735408
Energy: 1.4237762557632192
Energy: 1.3636516210391847
Energy: 1.3337486205809237
Energy: 1.5159601697032907
Energy: 1.5035660771216668
Energy: 1.255726991456939
Energy: 1.252785350385863
Energy: 1.5190794528083182
Energy: 1.4468360829837157
Energy: 1.4382292417584985
Energy: 1.4483832292603604
Energy: 1.4110032758586712
Energy: 1.3322806912392728
Energy: 1.297019741520802
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Energy: 1.2537009572706985
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Energy: 1.4452294957287313
Energy: 1.2592910168893898
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Energy: 1.3373347850091815
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Energy: 1.399850189380963
Energy: 1.2168707681531346
Energy: 1.3828651477126515
Energy: 1.5413826462729594
Energy: 1.4841737360624432
Energy: 1.4311262229922803
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Energy: 1.3028059374352947
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Energy: 1.2546832902617377
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Energy: 1.4526546005781242
Energy: 1.438269063220588
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Energy: 1.2392272849420762
Energy: 1.2540377760925472
Energy: 1.2541511532775858
Energy: 1.251556334434694
Energy: 1.25258632416546
Energy: 1.3060022784797165
Energy: 1.2638422751265401
Energy: 1.3645577496780525
Energy: 1.3520601551709706
Energy: 1.5058022379380378
Energy: 1.224096586320301
Energy: 1.2491750462095375
Energy: 1.3987780891247164
Energy: 1.2513098784643162
Energy: 1.3015345402899374
Energy: 1.372078840162167
Energy: 1.3701647134520336
Energy: 1.4535406946387621
Energy: 1.4581089195600543
Energy: 1.4201370964531257
Energy: 1.4219815994340042
Energy: 1.4611470659374135
Energy: 1.4243091713282776
Energy: 1.4255326481224413
Energy: 1.3761490007029071
Energy: 1.530587173257413
Energy: 1.4369292333424977
Energy: 1.4404188555809319
Energy: 1.4038631790211007
Energy: 1.2619507577710816
Energy: 1.2414823708467697
Energy: 1.4647410922062039
Energy: 1.485339399812535
Energy: 1.4082946652393418
Energy: 1.426844284283335
Energy: 1.4877548852427438
Energy: 1.394685115992062
Energy: 1.262544378515246
Energy: 1.2734998510986006
Energy: 1.2751868261916286
Energy: 1.2420271610116587
Energy: 1.2392308053187742
Energy: 1.4366064797164366
Energy: 1.375096063390756
Energy: 1.241299269694856
Energy: 1.4027233162819146
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Energy: 1.2413634439347838
Energy: 1.2449253220874719
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Energy: 1.385203988717628
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Energy: 1.3244158755488662
Energy: 1.382482152648002
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Energy: 1.3663755242730566
Energy: 1.4262946795905886
Energy: 1.4562666842996494
Energy: 1.3790835387787141
Energy: 1.2737684654049901

minimum gb energy = 1.2079402389799054 eV
minimum distance =  2.21616699488609 Angstroms
sigma value = 219


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

Energy: 2.1178278769279832
Energy: 1.2399959909328675
Energy: 1.239427024673458
Energy: 1.2652154195744871
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Energy: 1.2174769789247266
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Energy: 1.2155591106460941
Energy: 1.202651663116604
Energy: 1.2033037340907529
Energy: 1.247943835557715
Energy: 1.2364142161798457

minimum gb energy = 1.1812792732854245 eV
minimum distance =  2.26133859100394 Angstroms
sigma value = 15


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

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Energy: 1.4135491325989264
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Energy: 1.3993463432777862
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Energy: 1.428857913679189
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minimum gb energy = 1.351421720281275 eV
minimum distance =  2.22910709335233 Angstroms
sigma value = 293


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

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Energy: 1.4367611457559597
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Energy: 1.4073028280460549
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Energy: 1.4792638069407842
Energy: 1.4867511648519334
Energy: 1.4418074807497592
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Energy: 1.4020453479867343
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Energy: 1.5210348535660507
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Energy: 1.6082207355082367
Energy: 1.4930526815435585
Energy: 1.4731149778642616
Energy: 1.4989878977454518
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Energy: 1.43168591823754
Energy: 1.4160032565153324
Energy: 1.4172199141614994
Energy: 1.4851776948333721
Energy: 1.3675744539604953
Energy: 1.492871508780958
Energy: 1.426586503479543
Energy: 1.465764824142287
Energy: 1.5019924620765195
Energy: 1.4900798595517994
Energy: 1.3938057880545358
Energy: 1.558317930174233
Energy: 1.3971277828523383
Energy: 1.3509802295042017
Energy: 1.3942012459561737
Energy: 1.37188584955601
Energy: 1.4078111487360685
Energy: 1.3954252580585145
Energy: 1.4847543412866775
Energy: 1.472407437119931
Energy: 1.5803535062948408
Energy: 1.4173695216170157
Energy: 1.4158868107571838
Energy: 1.3327561340161496
Energy: 1.3482236331145594
Energy: 1.3697693918929499
Energy: 1.4274587353282455
Energy: 1.456172154322348
Energy: 1.488939886198042
Energy: 1.4348374374066362
Energy: 1.3912702552086855
Energy: 1.4208167215418457
Energy: 1.395563274805975
Energy: 1.336516303262029
Energy: 1.359546650131483
Energy: 1.3832473558947453
Energy: 1.6899628762944057
Energy: 1.3623683134353175
Energy: 1.4272213211234
Energy: 1.457927540740408

minimum gb energy = 1.3324131764221854 eV
minimum distance =  2.23342570891379 Angstroms
sigma value = 293


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

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Energy: 1.3086182060103806
Energy: 1.2993292224734663
Energy: 1.4873267148258218
Energy: 1.246264443288146
Energy: 1.3819620513244504
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Energy: 1.3021710643640452
Energy: 1.4262603385260406
Energy: 1.2292805332457832
Energy: 1.3669185762938367
Energy: 1.2620121106505626
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Energy: 1.246421688761395
Energy: 1.307418681985538
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Energy: 1.274602522039151
Energy: 1.2493822631876819
Energy: 1.2622555446614052
Energy: 1.3247632538983907
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Energy: 1.3076197015369901
Energy: 1.300072404694986
Energy: 1.309027557929286
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Energy: 1.2453921520475686
Energy: 1.405422065648808
Energy: 1.4523304988930994
Energy: 1.2973349859493888
Energy: 1.4149925673623838
Energy: 1.4099466711063202
Energy: 1.299938726588694
Energy: 1.249942221747602
Energy: 1.2482846208340814
Energy: 1.2440698944808368
Energy: 1.2997545385931593
Energy: 1.41475305066037
Energy: 1.3241872160174237
Energy: 1.3015678264541202
Energy: 1.3011864342364328
Energy: 1.4870647896621254
Energy: 1.2270940850373255
Energy: 1.2723912504498627
Energy: 1.2987855346514623
Energy: 1.2372471555036186
Energy: 1.2394403928770679
Energy: 1.2543418886249575
Energy: 1.2741304781615137
Energy: 1.43291876794749
Energy: 1.2631724406881717
Energy: 1.3027998570189454
Energy: 1.2813954898524653
Energy: 1.2376737929166337
Energy: 1.2460484332661566
Energy: 1.2427005437761889
Energy: 1.262015923108769
Energy: 1.302372670843653
Energy: 1.2749013916884542
Energy: 1.3229960913250047
Energy: 1.4524588700700631
Energy: 1.2566996522148384
Energy: 1.4870808317990563
Energy: 1.3188957154377805
Energy: 1.3132497193228305
Energy: 1.2563419109375944
Energy: 1.265632215113589
Energy: 1.2717715884573166
Energy: 1.2714811977601248
Energy: 1.4133764418859438
Energy: 1.2747507587043807
Energy: 1.2990410144700242
Energy: 1.4306005113569213
Energy: 1.4075962125983135
Energy: 1.3005271315112852
Energy: 1.2453551158228187
Energy: 1.2426844648858724
Energy: 1.2984206003584111
Energy: 1.2414275880465
Energy: 1.272904113265196

minimum gb energy = 1.1253487402303257 eV
minimum distance =  2.28453835574356 Angstroms
sigma value = 15


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

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Energy: 1.373342741218905
Energy: 1.3850313071502431
Energy: 1.3659738328783648
Energy: 1.3529633426489853
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Energy: 1.5666464049030386
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Energy: 1.3792220140599958
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Energy: 1.503744633983011
Energy: 1.613777761221587
Energy: 1.4399322433930446
Energy: 1.444580750087546
Energy: 1.4128126283065805
Energy: 1.3495186614250514
Energy: 1.3630978188483711
Energy: 1.3942097310356638
Energy: 1.559852566936764
Energy: 1.3973216502739525
Energy: 1.3620833846649532
Energy: 1.370441821809171
Energy: 1.537696305068099
Energy: 1.3475738944841233
Energy: 1.363699617710912
Energy: 1.3994260033640014
Energy: 1.403394515046069
Energy: 1.3747292393806403
Energy: 1.3612559709267356
Energy: 1.3359245587145818
Energy: 1.35118098664849
Energy: 1.4481205461979447
Energy: 1.2976728922365133
Energy: 1.4631671459733573
Energy: 1.54161896064185
Energy: 1.5775068752377284
Energy: 1.5569628749630093
Energy: 1.366863297906366
Energy: 1.3439097463423488
Energy: 1.357057503601806
Energy: 1.3991198408254102
Energy: 1.4373269054139932
Energy: 1.542706160458519
Energy: 1.6131051024492167
Energy: 1.5096857280630995
Energy: 1.4094269382178966
Energy: 1.3662107963510108
Energy: 1.3501897260466744
Energy: 1.3683313806815658
Energy: 1.3803134209853234
Energy: 1.5247334522614306
Energy: 1.525219209330333
Energy: 1.526223992659721
Energy: 1.443674345308065
Energy: 1.4736516756618605
Energy: 1.3523820691774597
Energy: 1.3374322009784088
Energy: 1.3924742384542916
Energy: 1.4931818296620885
Energy: 1.4613950716340116
Energy: 1.4005649517240222
Energy: 1.4066230573914507
Energy: 1.3635953194517518
Energy: 1.4725327424290366
Energy: 1.3767871244787617
Energy: 1.3833074453772463
Energy: 1.405695516974153
Energy: 1.3916629361221824
Energy: 1.399440023854442
Energy: 1.3690705092058788
Energy: 1.3838073179231551
Energy: 1.3683492633638088
Energy: 1.4326248585864487
Energy: 1.4719221534269356
Energy: 1.4482786562341308
Energy: 1.46488196879889
Energy: 1.4942154167606614
Energy: 1.3876651697994067
Energy: 1.3877306482883
Energy: 1.390560540373039
Energy: 1.4253701961880743
Energy: 1.4006026604184063
Energy: 1.393969051809741
Energy: 1.462006878951209
Energy: 1.4015802742981942
Energy: 1.399743989332026
Energy: 1.4813818124534572
Energy: 1.3911290367734799
Energy: 1.4109639650178032
Energy: 1.3955582460305802
Energy: 1.412664163163735
Energy: 1.4372543497793515
Energy: 1.3830941800772458
Energy: 1.4062928652817972
Energy: 1.4074281062599998
Energy: 1.3148243926216396
Energy: 1.3703410848969715
Energy: 1.4412126194055435
Energy: 1.387969654365288
Energy: 1.387974241404565
Energy: 1.3888047952886202
Energy: 1.5066060663469432
Energy: 1.4427173208119182
Energy: 1.3993463368127768
Energy: 1.413981958421043
Energy: 1.4393069160196086
Energy: 1.4182289343363477
Energy: 1.4224372507735772
Energy: 1.3871706536146042
Energy: 1.394697069220882
Energy: 1.3965298720261419
Energy: 1.5056088855281258
Energy: 1.4711397632682284
Energy: 1.4049256588827368
Energy: 1.5204177310029587
Energy: 1.4205902070639482
Energy: 1.4115212272034272
Energy: 1.4487915455720228
Energy: 1.467854204345481
Energy: 1.5084504631136846
Energy: 1.4930785287734245
Energy: 1.495100567934614
Energy: 1.375126143089872
Energy: 1.3770036833844335
Energy: 1.533684231845122
Energy: 1.3487129805648381
Energy: 1.3630009675744017
Energy: 1.542337354292019
Energy: 1.5182456105586069
Energy: 1.3639970412078282
Energy: 1.3680303243678644
Energy: 1.3300819565287663
Energy: 1.335036830092691
Energy: 1.4955291128025479
Energy: 1.461426263862903
Energy: 1.3746836492559298
Energy: 1.5167840579775846
Energy: 1.3738795209260535
Energy: 1.3390254264511798
Energy: 1.331124606557945
Energy: 1.3310402610371825
Energy: 1.330778874805131
Energy: 1.3754070333612944
Energy: 1.5244334818806926
Energy: 1.5138529178567879
Energy: 1.4714062274726658
Energy: 1.4753833585051133
Energy: 1.3676695092933637
Energy: 1.3131777393260589
Energy: 1.3131527837883008
Energy: 1.3744785740949892
Energy: 1.3718790139454369
Energy: 1.3686454887139063
Energy: 1.5706545047257365
Energy: 1.440099426795422
Energy: 1.419229604084399
Energy: 1.4529259162322141
Energy: 1.37507411228401
Energy: 1.3958818011129854
Energy: 1.5726584975786777
Energy: 1.3370774745270466
Energy: 1.523658067849833
Energy: 1.3564382339157102
Energy: 1.3924822806183828
Energy: 1.3734864990447495
Energy: 1.4232543206874353
Energy: 1.338523143071838
Energy: 1.5764350264918883
Energy: 1.565992530654299
Energy: 1.3955864959543431
Energy: 1.3762781216685578
Energy: 1.3428123917980117
Energy: 1.3333708184004367
Energy: 1.3506307770642647
Energy: 1.445229187187504
Energy: 1.4004932303881925
Energy: 1.4585969564247983
Energy: 1.4032400080914218
Energy: 1.4058645044630942
Energy: 1.358820561827501
Energy: 1.3875967331959917
Energy: 1.3520568917874574
Energy: 1.3566526075913241
Energy: 1.332082305196174
Energy: 1.4612523995954292
Energy: 1.4483257326373127
Energy: 1.416993757262063
Energy: 1.3857004479163544
Energy: 1.4485879851047923
Energy: 1.3531931533867154
Energy: 1.350224978388146
Energy: 1.3937826220305487
Energy: 1.3952532312258128
Energy: 1.5277061071042206
Energy: 1.5319647187627632
Energy: 1.4845466599484272
Energy: 1.4570559554316547
Energy: 1.3086185424252692
Energy: 1.3946064004111254
Energy: 1.3780443025187716
Energy: 1.4002037183728662
Energy: 1.4309626589296094
Energy: 1.4006305115163427
Energy: 1.4711119907057646
Energy: 1.3371612257462853
Energy: 1.357384491149938
Energy: 1.4040412969324982
Energy: 1.3940781126380748
Energy: 1.485762927480824
Energy: 1.4616609498122168
Energy: 1.433002710643496
Energy: 1.3995670345969826
Energy: 1.391463758149195
Energy: 1.4539302640418619
Energy: 1.4682656914566203
Energy: 1.4747921889217235
Energy: 1.488756470414123
Energy: 1.3543842712157874
Energy: 1.3930198280135107
Energy: 1.4567649764658186
Energy: 1.3733938378053712
Energy: 1.431533254884023
Energy: 1.4343850333579764
Energy: 1.4772245029429096
Energy: 1.4962234336298412
Energy: 1.3892874294107336
Energy: 1.4861991574235642
Energy: 1.3720536186850858
Energy: 1.343219275290084
Energy: 1.4738422872064836
Energy: 1.41717342108188
Energy: 1.4271396104470777
Energy: 1.3835652362189472
Energy: 1.378205558216801
Energy: 1.3680695614447156
Energy: 1.4766322407003636
Energy: 1.4007664468681713
Energy: 1.4569530173075729
Energy: 1.483156949979994
Energy: 1.3313315680871927
Energy: 1.3624954907103404
Energy: 1.3516786881900826
Energy: 1.3517351737315566
Energy: 1.3533083352871131
Energy: 1.4026677609160587
Energy: 1.429522045122592
Energy: 1.4249381538354182
Energy: 1.4313304400905564
Energy: 1.448067940639639
Energy: 1.3748008195982324
Energy: 1.3325308863122265
Energy: 1.3449916624995488
Energy: 1.3815748656559201
Energy: 1.3855759467609539
Energy: 1.5718425548541823
Energy: 1.4867708820545529
Energy: 1.420558972189243
Energy: 1.383193183553169
Energy: 1.3629143387181888
Energy: 1.3940688670172372
Energy: 1.3804509205253128
Energy: 1.3592994485081442
Energy: 1.3655419629660153
Energy: 1.565127333094127
Energy: 1.3951406652927267
Energy: 1.3827979507219743
Energy: 1.385576496599148

minimum gb energy = 1.2976728922365133 eV
minimum distance =  2.22517866341605 Angstroms
sigma value = 437


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

Energy: 1.610457924272136
Energy: 1.3791992342731452
Energy: 1.364291471822229
Energy: 1.4043169102367743
Energy: 1.4167430619089765
Energy: 1.442874038516368
Energy: 1.4411988334881243
Energy: 1.3648076490560526
Energy: 1.364721538527509
Energy: 1.3579177160441078
Energy: 1.4888656778132974
Energy: 1.3588969144619365
Energy: 1.435884812221497
Energy: 1.5842357813127013
Energy: 1.36497400905901
Energy: 1.3296492891994247
Energy: 1.339421079216643
Energy: 1.3539302823258221
Energy: 1.455252478186983
Energy: 1.6149061279425645
Energy: 1.5167960246152918
Energy: 1.385475603611499
Energy: 1.5149242431609495
Energy: 1.4081232590809274
Energy: 1.347532348032463
Energy: 1.3548404338034674
Energy: 1.3616600193951136
Energy: 1.3636140943846584
Energy: 1.405556460334867
Energy: 1.5608325689254583
Energy: 1.473549333970202
Energy: 1.3962625794896744
Energy: 1.3372880439149784
Energy: 1.3373377974575291
Energy: 1.355499939021329
Energy: 1.359992246948366
Energy: 1.4533396109026082
Energy: 1.3307222235871876
Energy: 1.612442034109456
Energy: 1.585189443720132
Energy: 1.3654125262995518
Energy: 1.587060513311309
Energy: 1.3645411182080802
Energy: 1.3313964135876954
Energy: 1.4457972831027814
Energy: 1.469784779851299
Energy: 1.4429589727992176
Energy: 1.527973569157761
Energy: 1.510409908664921
Energy: 1.4046405313172128
Energy: 1.3892611801465156
Energy: 1.4925251190483952
Energy: 1.385668152032678
Energy: 1.518503181923129
Energy: 1.4529130667339611
Energy: 1.3502492119762328
Energy: 1.362702808731735
Energy: 1.3808659123828657
Energy: 1.4880741348169666
Energy: 1.326319311511879
Energy: 1.3020199592577903
Energy: 1.394893398618371
Energy: 1.3629298031411436
Energy: 1.4183373748594161
Energy: 1.456781403635617
Energy: 1.3497801214415481
Energy: 1.4743604732017688
Energy: 1.4684936048526949
Energy: 1.4623668640629544
Energy: 1.3581119933712285
Energy: 1.301440129428837
Energy: 1.3301488540375601
Energy: 1.3559843507330733
Energy: 1.4062017661559625
Energy: 1.4491275384868652
Energy: 1.4407470090772463
Energy: 1.3629852087816086
Energy: 1.3568090483731796
Energy: 1.356238184063335
Energy: 1.3195743986511579
Energy: 1.4879823144617703
Energy: 1.3542420744153034
Energy: 1.4520882516504185
Energy: 1.456093651630894
Energy: 1.3635677049769956
Energy: 1.344810164940135
Energy: 1.3357176552004788
Energy: 1.3363625026857475
Energy: 1.4059729604045692
Energy: 1.4595741725508786
Energy: 1.4525475932845364
Energy: 1.392378122548198
Energy: 1.4553506932797657
Energy: 1.3864064678841241
Energy: 1.3450657472949186
Energy: 1.3353266567808757
Energy: 1.352727426181622
Energy: 1.346995209398152
Energy: 1.3515157227612984
Energy: 1.541869997557211
Energy: 1.3530166131558539
Energy: 1.363866205126726
Energy: 1.4978005673030665
Energy: 1.3594295371538763
Energy: 1.3587422826517646
Energy: 1.34783623334218
Energy: 1.4369391275616308
Energy: 1.4944800055727838
Energy: 1.5741736597507014
Energy: 1.3509692599016954
Energy: 1.3603307307405799
Energy: 1.5860892196435192
Energy: 1.3396995060001615
Energy: 1.4764768566176476
Energy: 1.4750369006917632
Energy: 1.3645565841620004
Energy: 1.35023077742727
Energy: 1.4252532653781753
Energy: 1.4884057559512682
Energy: 1.4003634669014366
Energy: 1.3867632232984055
Energy: 1.613482217842545
Energy: 1.3329081560020422
Energy: 1.4933969216613558
Energy: 1.4374282518614032
Energy: 1.3450867907650015
Energy: 1.3676640130606383
Energy: 1.4598237770419868
Energy: 1.4539331610761217
Energy: 1.354323119401165
Energy: 1.5469423376994946
Energy: 1.3481296484405239
Energy: 1.3645826461306096
Energy: 1.4046040574754592
Energy: 1.5291308922375015
Energy: 1.5270592201715008
Energy: 1.4683854137941654
Energy: 1.3896870862813497
Energy: 1.3534213331346774
Energy: 1.3189053548377399

minimum gb energy = 1.301440129428837 eV
minimum distance =  2.24479196660983 Angstroms
sigma value = 33