Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6473073810338983
cohesive_energy=4.1514735882010125
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=[0.0, 0.0, 0.0, 2.7774533038707e-21, 1.0382729437207259e-19, 2.5036413171201e-19, 3.75348328753716e-19, 4.6550441012553e-19, 5.233237604933219e-19, 5.542970391818099e-19, 5.7220937394993e-19, 5.88013244267706e-19, 6.019201374508259e-19, 6.14103088575762e-19, 6.24709497892842e-19, 6.3386113082624995e-19, 6.41666935387098e-19, 6.48215031290256e-19, 6.535903338973259e-19, 6.578617368035699e-19, 6.610933270743479e-19, 6.633427830684839e-19, 6.646581700849979e-19, 6.6508755342291e-19, 6.646245243756839e-19, 6.631280913995279e-19, 6.60407595474996e-19, 6.562419362265959e-19, 6.503587436265479e-19, 6.424359801714179e-19, 6.3208271476251e-19, 6.188231009395259e-19, 6.02077150760958e-19, 5.81002119317322e-19, 5.52515418764802e-19, 5.1395583371432395e-19, 4.64419736544312e-19, 4.0325824571799595e-19, 3.29577346673604e-19, 2.416082364072e-19, 1.3621064871614399e-19, 8.601493542591419e-21, -1.477492043988852e-19, -3.4521298844481e-19, -5.99861340476136e-19, -9.32925023505324e-19, -1.436897694613194e-18, -2.21840581096908e-18, -3.24051439462938e-18, -4.576777772684399e-18, -6.56919656942778e-18, -9.898103048954939e-18, -1.577701783739016e-17, -2.7572819000486398e-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: 0.01779427093571743
Energy: 0.023743575070680794
Energy: 0.13835834170738484
Energy: 0.137167906024227
Energy: 0.02256383213985876
Energy: 0.019421315857463338
Energy: 0.13631926450011927
Energy: 0.13825680410080068
Energy: 0.13657873566565165
Energy: 0.021655298062883216
Energy: 0.01856345250283475
Energy: 0.5360060404624218
Energy: 0.13640679529528504
Energy: 0.1385414532212208
Energy: 0.1387440274055246
Energy: 0.1358729343765165
Energy: 0.5363690205024807
Energy: 0.13627230368779336
Energy: 0.13718591229744725
Energy: 0.13802826967730952
Energy: 0.13843654623080143
Energy: 0.02274915066169206
Energy: 0.01835298005487928
Energy: 0.13615468325260588
Energy: 0.13640800512401774
Energy: 0.1379325773239658
Energy: 0.021876774256226122
Energy: 0.01828088455622568
Energy: 0.13584448537282467
Energy: 0.1373086804771983
Energy: 0.1375405006770909
Energy: 0.019555022527807588
Energy: 0.01960351639838789
Energy: 0.5363932711317484
Energy: 0.13560764521704527
Energy: 0.13806593606745357
Energy: 0.019222462278223426
Energy: 0.01849153994733768
Energy: 0.5384132015938936
Energy: 0.13521942973840567
Energy: 0.13650459691206332
Energy: 0.1362561847840752
Energy: 0.5369732894055262
Energy: 0.02012883975382623
Energy: 0.019420260872323455
Energy: 0.13616628829078684
Energy: 0.1370288222380674
Energy: 0.5379916116441419
Energy: 0.021504131663595553
Energy: 0.5363575770158859
Energy: 0.1389486669318507
Energy: 0.1354524618733986
Energy: 0.13715161799930226
Energy: 0.019240123836695256
Energy: 0.018477251238862877
Energy: 0.13857802941412473
Energy: 0.1350634704735503
Energy: 0.13772070046089493
Energy: 0.019918401768589913
Energy: 0.018564458096209515
Energy: 0.01854501141792765
Energy: 0.13935401130482364
Energy: 0.13712132461076204
Energy: 0.13778432784254427
Energy: 0.5364985438069354
Energy: 0.025148325381480926
Energy: 0.1402805646168594
Energy: 0.136654503823987
Energy: 0.13875100389049305
Energy: 0.536317163077456

minimum gb energy = 0.01779427093571743 eV
minimum distance =  2.30801795738081 Angstroms
sigma value = 3


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

Energy: 1.7574837713885454
Energy: 1.3262481532181982
Energy: 1.4539521721689619
Energy: 1.327949513027166
Energy: 1.3332801337600992
Energy: 1.5806225332291801
Energy: 1.2269971674469793
Energy: 1.4390961285936348
Energy: 1.2748934979035775
Energy: 1.3502677581456812
Energy: 1.5766541699249537
Energy: 1.6879761523783219
Energy: 1.3403697630535185
Energy: 1.3641837573434394
Energy: 0.966704962421933
Energy: 1.4578358349659464
Energy: 1.7887077049056197
Energy: 1.370961371005238
Energy: 1.5055102479892204
Energy: 1.2447572241155371
Energy: 1.2941630591701558
Energy: 1.6292890945173202
Energy: 1.549456137019765
Energy: 1.3506012455863379
Energy: 1.2493305531839438
Energy: 1.0204528431259887
Energy: 1.8222836283825274
Energy: 1.500274697656679
Energy: 1.3264402057222262
Energy: 1.2187394058255954
Energy: 1.3331105135722947
Energy: 1.4460489476746865
Energy: 1.7640712933890328
Energy: 1.220034466480134
Energy: 1.2785009060723973
Energy: 1.3971041899401464
Energy: 1.5704371161061765
Energy: 1.7612410004708725
Energy: 1.2922054037588933
Energy: 1.2169633339110266
Energy: 1.6216478189108912
Energy: 1.3712731203441433
Energy: 1.4375752567512652
Energy: 1.7168479689574885
Energy: 1.6018348658698343
Energy: 1.598662049817362
Energy: 1.6795443781022201
Energy: 1.4264693623326554
Energy: 1.7181728266185112
Energy: 1.6711794528190171
Energy: 1.3522796597241116
Energy: 1.7211107382123294
Energy: 1.4289287596827573
Energy: 1.4357987273441473
Energy: 1.7098117863682267
Energy: 1.37605839353588
Energy: 1.719839833619846
Energy: 1.4034751084126684
Energy: 1.4364348841231604
Energy: 1.7029704496363094
Energy: 1.537833765051374
Energy: 1.6968507471108292
Energy: 1.8986191755829933
Energy: 1.2083760371536396
Energy: 1.453031212002773
Energy: 1.5179731673969652
Energy: 1.7578648599205586
Energy: 1.7138975332708462
Energy: 1.5426287289298934
Energy: 1.60508807055214
Energy: 1.4560608453833577
Energy: 1.3143355905203837
Energy: 1.8620304923937658
Energy: 1.4364496717517852
Energy: 1.308632789323673
Energy: 1.459851370809497
Energy: 1.3240876860392337
Energy: 1.6455533229127377
Energy: 1.4367400191107726
Energy: 1.3794979494985988
Energy: 1.4088078939516042
Energy: 1.4526673006358526
Energy: 1.5395964584110042
Energy: 1.980336415260875
Energy: 1.5325797830265495
Energy: 1.5319664970651556
Energy: 1.2585069679115066
Energy: 1.4929878087258497
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Energy: 1.5311306470065449
Energy: 1.2363073411367058
Energy: 1.1534414690673183
Energy: 1.4071185217274393
Energy: 2.1173102484960746
Energy: 1.3798900560340646
Energy: 1.2422793905358493
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Energy: 1.2818950739669126
Energy: 2.1208084875843074
Energy: 1.7615494613148919
Energy: 1.1330516733809524
Energy: 1.2317161327243438
Energy: 1.4335428184453258
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Energy: 1.5674479302131812
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Energy: 1.3606212140719236
Energy: 1.5427891373115554
Energy: 1.5742352850469001
Energy: 1.4866476892844738
Energy: 1.556168453594075
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Energy: 1.7613529535773285
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Energy: 1.33337909944065
Energy: 1.1970941689847536
Energy: 1.4643620984770325
Energy: 1.7061215936416083
Energy: 1.777174618105951
Energy: 1.2070040242655515
Energy: 1.0015431272127397
Energy: 1.5741531337652788
Energy: 1.7277341163787756
Energy: 1.9003093074504909
Energy: 1.7002194605363434
Energy: 1.487534529579408
Energy: 1.4875249546791913
Energy: 1.3054969841066286
Energy: 1.2681710263209933
Energy: 1.5827928751451803
Energy: 1.3300998004777302
Energy: 1.4642105452895624
Energy: 1.3113118555248875
Energy: 1.2922398366252401
Energy: 1.5545893805256914
Energy: 1.679255988692308
Energy: 1.3831605173148396
Energy: 1.3865110309084483
Energy: 1.1323216019164708
Energy: 1.4223931124738807
Energy: 1.6874048600414913
Energy: 1.400204055238928
Energy: 1.4057002419043585
Energy: 1.211522766415573
Energy: 1.2814787152576257
Energy: 1.6984112006160963
Energy: 1.6238478274074706
Energy: 1.3553697165318692
Energy: 1.2363684405858184
Energy: 1.1977222272432488
Energy: 1.6458210368641022
Energy: 1.5003549399360623
Energy: 1.3348770440828759
Energy: 1.1845821819658358
Energy: 1.3242013798653784
Energy: 1.6037654593207582
Energy: 1.7680248868204793
Energy: 1.1810491035082635
Energy: 0.9994086089957972
Energy: 1.2750091641847592
Energy: 1.5641717730458542
Energy: 1.7698546393433776
Energy: 1.2260075915456696
Energy: 1.0003500285007927
Energy: 1.5622628760240742
Energy: 1.5041452008250227
Energy: 1.4412813972345273
Energy: 1.5230869769974849
Energy: 1.581543285155211
Energy: 1.5733857688116757
Energy: 1.5028019543422557
Energy: 1.4526202365289835
Energy: 1.4988342137040835
Energy: 1.6270580994127737
Energy: 1.3302837971918877
Energy: 1.7603759816327709
Energy: 1.3857668506494036
Energy: 1.4488107127814136
Energy: 1.7219005926447715
Energy: 1.388663982456782
Energy: 1.7196667538501365
Energy: 1.3932369373789928
Energy: 1.363714661085028
Energy: 1.7074134350293269
Energy: 1.5402205383188496
Energy: 1.7222750479589894
Energy: 1.7261875220066938
Energy: 1.4217021778280998
Energy: 1.639751048769263
Energy: 1.6082201967340493
Energy: 1.7260530957564482
Energy: 1.6914564141302038
Energy: 1.4194111796097344
Energy: 1.62515486996527
Energy: 1.4637429417261036
Energy: 1.3054034076566707
Energy: 1.8557185587248073
Energy: 1.5597945482005229
Energy: 1.3609803439970491
Energy: 1.4618374248254677
Energy: 1.324624232834567
Energy: 1.849926922011676
Energy: 1.44131846346135
Energy: 1.3553345863581339
Energy: 1.3839003494381488
Energy: 1.4672168065783748
Energy: 1.4719524314436943
Energy: 1.3666093199364135
Energy: 1.5028535363336135
Energy: 1.3991754362056665
Energy: 1.5661935064182426
Energy: 1.4700960550582427
Energy: 1.8276057605419107
Energy: 1.374865388399439
Energy: 1.541306248313511
Energy: 1.2221631259481374
Energy: 1.1813132329871445
Energy: 1.2674942432257832
Energy: 1.8627334477977273
Energy: 1.4998020100165235
Energy: 1.244674997747863
Energy: 1.1877482502344558
Energy: 1.2654763960380777
Energy: 2.1241299590442257
Energy: 1.546667177052385
Energy: 1.1284191332786677
Energy: 1.2522308416503836
Energy: 1.4750424000477909
Energy: 1.6786461274726319
Energy: 1.585248489322835
Energy: 1.1554901344764719
Energy: 1.217324843101095
Energy: 1.475468800489876
Energy: 1.5570289199020977
Energy: 1.670624507216964
Energy: 1.6085252350410963
Energy: 1.2342263420058053
Energy: 1.4933786232773616
Energy: 1.4047312739566875
Energy: 1.5367103993840763
Energy: 1.4937800480242063
Energy: 1.5947446527017224
Energy: 1.5457828031067335
Energy: 1.5006165352527634
Energy: 1.5501595992617914
Energy: 1.3609074379562653
Energy: 1.4527918913226596
Energy: 1.7387588993892908
Energy: 1.3818457380854225
Energy: 1.4381096426423792
Energy: 1.7431633504563884
Energy: 1.4288560148066898
Energy: 1.7598829161453984
Energy: 1.379055126349409
Energy: 1.3485694426597603
Energy: 1.4840029134307413
Energy: 1.6977756715026764
Energy: 1.711556155884121
Energy: 1.7751946612600298
Energy: 1.096195591281523
Energy: 1.4103959160917936
Energy: 1.5384525768862152
Energy: 1.7237195110387207
Energy: 1.8861226014593322
Energy: 1.7624024101702163
Energy: 1.4946855917346729
Energy: 1.4757474525879741
Energy: 1.398479433492162
Energy: 1.3496217623756352
Energy: 1.585903597582908
Energy: 1.2567003646548927
Energy: 1.4311476538855386
Energy: 1.2987734277586989
Energy: 1.695945374407886

minimum gb energy = 0.966704962421933 eV
minimum distance =  2.27401261294576 Angstroms
sigma value = 75


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

Energy: 2.3349949230031983
Energy: 1.4501956408785548
Energy: 1.4876452200994175
Energy: 1.4827028239900328
Energy: 1.4215086293190953
Energy: 2.17435718781321
Energy: 1.4342964104372562
Energy: 1.7112653236134765
Energy: 1.4026579368462415
Energy: 1.4516309559640292
Energy: 1.7960520840967638
Energy: 1.6726434901920741
Energy: 1.2564597932066432
Energy: 1.464512014342629
Energy: 1.317833493863839
Energy: 1.732422328483619
Energy: 1.505147558267053
Energy: 1.2962267685094373
Energy: 1.510900596136321
Energy: 1.3671274711008552
Energy: 1.4349096525179679
Energy: 1.7299828886347854
Energy: 1.7297262487255538
Energy: 1.3738046881933583
Energy: 1.2608613276878942
Energy: 1.242339193779069
Energy: 1.7379035792522166
Energy: 1.7284944550321886
Energy: 1.3712783017714005
Energy: 1.2659497779881597
Energy: 1.419344805050231
Energy: 1.544293360898804
Energy: 1.5574613813683555
Energy: 1.7294858624890905
Energy: 1.2590917641230035
Energy: 1.4215551631529506
Energy: 1.2734828582647535
Energy: 1.4062637466586174
Energy: 1.4299595267997536
Energy: 1.2644839298147859
Energy: 1.614463319060691
Energy: 1.5664542474669096
Energy: 1.5780614447065742
Energy: 1.52791604131792
Energy: 1.6825925868892135
Energy: 1.6256941576780601
Energy: 1.5383476599147337
Energy: 1.5160293946455146
Energy: 1.5353308246434503
Energy: 1.56903525063412
Energy: 1.4737888475777507
Energy: 1.9898097623601874
Energy: 1.5483976445182255
Energy: 1.7864088209456528
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Energy: 1.4180097528686721
Energy: 1.994659896936845
Energy: 1.4826371709208552
Energy: 1.6748780995703145
Energy: 1.4273958812922798
Energy: 1.318844227678346
Energy: 1.7819991576813878
Energy: 1.4719470318877246
Energy: 1.5508553858920124
Energy: 1.5319876631870792
Energy: 1.3602559010997317
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Energy: 1.7267740988267724
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Energy: 1.2727911921600503
Energy: 1.6662601840240578
Energy: 1.4159275241115705
Energy: 1.5665991554210614
Energy: 1.3678273136679704
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Energy: 1.5408992132215642
Energy: 1.3633036834213053
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Energy: 1.613590434315461
Energy: 1.856546577625009
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Energy: 1.7895470235177993
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Energy: 1.3776214882426074
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Energy: 1.4582324590264932
Energy: 1.5379924219656431
Energy: 1.3198106671005398
Energy: 1.3401087486462675
Energy: 1.5799356575641221
Energy: 1.5274326104438507
Energy: 1.5440231539909992
Energy: 1.3832250021730967
Energy: 1.2614611303257548
Energy: 1.4163950444693165
Energy: 1.7317313390506919
Energy: 1.5099937800472658
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Energy: 1.4545981345285734
Energy: 1.7487670951440581
Energy: 1.3529802157673922
Energy: 1.6376478473284863
Energy: 1.3410798291578818
Energy: 1.6006363817842546
Energy: 1.4176514558104707
Energy: 1.3280598411646851
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Energy: 1.2484304920653777
Energy: 1.5351068625400657
Energy: 1.7935667644899849
Energy: 1.5458783067849668
Energy: 1.5794880218284255
Energy: 1.6719160864226639
Energy: 1.532090249953338
Energy: 1.7966190737509202
Energy: 1.4999037669656583
Energy: 1.5356411908202852
Energy: 1.656889125511082
Energy: 1.468085423480947
Energy: 1.5536960700555849
Energy: 1.5057493463292102
Energy: 1.6520274562155495
Energy: 1.832089213997714
Energy: 1.5745299477848573
Energy: 1.5409829010772087
Energy: 1.4764775598659896
Energy: 1.7502278824874629
Energy: 1.5372665973332895
Energy: 1.5342651118679411
Energy: 1.6130835462709774
Energy: 1.3654890974291531
Energy: 1.3075295499717368
Energy: 1.8272366130334892
Energy: 1.483031921053179
Energy: 1.600490968783471
Energy: 1.2746895709072956
Energy: 1.248699676885436
Energy: 1.5140738527405089
Energy: 1.7272454163821374
Energy: 1.4181085514186618
Energy: 1.2681787370469642
Energy: 1.2627848039247536
Energy: 1.430979073464188
Energy: 1.726378588081018
Energy: 1.4449200366370019
Energy: 1.2579934189634643
Energy: 1.2629628772337909
Energy: 1.4013589394443176
Energy: 1.7282456902804808
Energy: 1.5406943879123198
Energy: 1.7205303395149734
Energy: 1.566455894005612
Energy: 1.7004819232636277
Energy: 1.334241554262765
Energy: 1.5634252374419215
Energy: 1.7094577341817954
Energy: 1.5824278434582864
Energy: 1.6050163316061867
Energy: 1.3063990320734427
Energy: 1.5281133522078936
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minimum gb energy = 1.1379872895204433 eV
minimum distance =  2.24741178672381 Angstroms
sigma value = 105


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

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Energy: 2.21525819015826
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Energy: 1.3530369509395932
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Energy: 1.4107317155845525
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Energy: 1.3924912820390272
Energy: 1.5122231483353583
Energy: 1.340549718542142
Energy: 1.3829934174087553
Energy: 1.4341851712037146
Energy: 1.2965999572574842
Energy: 1.4317535117096238
Energy: 1.4234883934702431
Energy: 1.6589406530706403
Energy: 1.388188565596344
Energy: 1.4271465357824618
Energy: 1.4221595934299536
Energy: 1.432507881281288
Energy: 1.6587600023933824
Energy: 1.4988582986237198
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Energy: 1.274879651205982
Energy: 1.390432059996507
Energy: 1.84281946200702
Energy: 1.3899316563067945
Energy: 1.366793029282305
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Energy: 1.431737538554756
Energy: 1.8469002487560116
Energy: 1.4113017482695496
Energy: 1.643930565858704
Energy: 1.4349399136813707
Energy: 1.3900312102475167
Energy: 1.4402168840171883
Energy: 1.4234105827296009
Energy: 1.3161092218752315
Energy: 1.4230096530772314
Energy: 1.3905786783502518
Energy: 1.4388134912715471
Energy: 1.4263339386669367
Energy: 1.8167225063581478
Energy: 1.3708533936377174
Energy: 1.7120203047233638
Energy: 1.4560079971764976
Energy: 1.4552342949353017
Energy: 1.8438975833345397
Energy: 1.3719738453608163
Energy: 1.717430654595596
Energy: 1.4271008427756167
Energy: 1.4334091245016718
Energy: 1.4731458633540533
Energy: 1.3489964252864555
Energy: 1.3495475107173511
Energy: 1.3989314066856968
Energy: 1.5242756981172325
Energy: 1.4615006938808877
Energy: 1.4802252964040088
Energy: 1.499923045164732
Energy: 1.3783456719259646
Energy: 1.5287006574648525
Energy: 1.2539394318462624
Energy: 1.2316988999407383
Energy: 1.220974849317035
Energy: 1.35049344017059
Energy: 1.6330931520850025
Energy: 1.2340240227279549
Energy: 1.2521546837875448
Energy: 1.181437296345137
Energy: 1.389959770644316

minimum gb energy = 1.181437296345137 eV
minimum distance =  2.28839787044315 Angstroms
sigma value = 165


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

Energy: 1.6776116598975601
Energy: 1.3468603626157565
Energy: 1.339626669613724
Energy: 1.2702950120336989
Energy: 1.3469268698187844
Energy: 1.6790862495528531
Energy: 1.2610144067147504
Energy: 1.3957696478772692
Energy: 1.2290692526945106
Energy: 1.346861010767719
Energy: 1.503097002028091
Energy: 1.334112047363488
Energy: 1.2308208119184825
Energy: 1.281325217190637
Energy: 1.2777586111365549
Energy: 1.7016530208850411
Energy: 1.3775798358415645
Energy: 1.2306297496421483
Energy: 1.3004403030403933
Energy: 1.2724305153142759
Energy: 1.2940399696940108
Energy: 1.3600241554385768
Energy: 1.4128508745807196
Energy: 1.28864020436075
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Energy: 1.3053847825376033
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Energy: 1.4295400929035056
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Energy: 1.2151875013939486
Energy: 1.2472563328248134
Energy: 1.2343151211760892
Energy: 1.3309988901120051
Energy: 1.3233592391901043
Energy: 1.2313934308013512
Energy: 1.2541260583488356
Energy: 1.2880807191253238
Energy: 1.2729431574594285
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Energy: 1.3341539225492136
Energy: 1.2522654744180366
Energy: 1.2976150819829195
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Energy: 1.395326794985087
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Energy: 1.3104579936656682
Energy: 1.6841874872446645
Energy: 1.3028182473546488
Energy: 1.294786342678506
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Energy: 1.312146286670578
Energy: 1.6827082174309893
Energy: 1.2783224383426453
Energy: 1.236163863950622
Energy: 1.2810492638159117
Energy: 1.293468035981184
Energy: 1.5377465954742071
Energy: 1.2302851486222877
Energy: 1.231080069169611
Energy: 1.2809159585006311
Energy: 1.3368639336434895
Energy: 1.4187819460213225
Energy: 1.381879757881425
Energy: 1.492511548145932
Energy: 1.1989918436844642
Energy: 1.2304557788816892
Energy: 1.1809533244085693
Energy: 1.3829605384567507
Energy: 1.5313560312121142
Energy: 1.198011521341642
Energy: 1.258039788817311
Energy: 1.216571244989165
Energy: 1.3321744646592362
Energy: 1.7147600094206614
Energy: 1.3995006422961502
Energy: 1.142184794806463
Energy: 1.2702335030606253
Energy: 1.2812534101404873
Energy: 1.2796800765534886
Energy: 1.397737636142548
Energy: 1.1473620490728678
Energy: 1.2079335822055206
Energy: 1.5618027805601533
Energy: 1.2987022212739268
Energy: 1.3142229397914431
Energy: 1.3581738535508472
Energy: 1.256386037307031
Energy: 1.2441258787353406
Energy: 1.3064729256359555
Energy: 1.2713819156140802
Energy: 1.2298820808425495
Energy: 1.2565876769089992

minimum gb energy = 1.1310659672230214 eV
minimum distance =  2.30024562322976 Angstroms
sigma value = 41


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

Energy: 2.4777918819957585
Energy: 1.1045638788317003
Energy: 1.1760744250911062
Energy: 1.1354478998731363
Energy: 1.0819469399225348
Energy: 2.391729472749849
Energy: 1.2503696791390342
Energy: 1.1667604745536966
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Energy: 1.2820991879284438
Energy: 1.335873513777077
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Energy: 1.2010062441660327
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Energy: 1.2372707183940355
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Energy: 1.279739981209543
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Energy: 1.4939296430548514
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Energy: 1.3025446639632903
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Energy: 1.2195258067705772
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Energy: 1.1747088203403844
Energy: 1.2597280634608974
Energy: 1.305045216388675
Energy: 1.2207188194536966
Energy: 1.2369223858331826
Energy: 1.185621470117767
Energy: 1.327636613447751
Energy: 1.2938182916379426
Energy: 1.639032840433939
Energy: 1.1894942296297755
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Energy: 1.4412679871744958
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Energy: 1.1990892657602987
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Energy: 1.971700206057694
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Energy: 1.309247328673237
Energy: 1.4705610067471346
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Energy: 1.3110385718744262
Energy: 1.1557125947004445
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Energy: 1.3078824837897756
Energy: 1.2641011698404905
Energy: 1.2543921426601587
Energy: 1.163080887538507
Energy: 1.2376144455322209
Energy: 1.303205006938667
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Energy: 1.2398601976593857
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Energy: 1.1692906634909075
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Energy: 1.5632009529973658
Energy: 1.3084244405099137
Energy: 1.1808515939425834
Energy: 1.2646329880953036
Energy: 1.2343341456409758
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Energy: 1.2291310780919402
Energy: 1.1195794228703735
Energy: 1.4363358138628404
Energy: 1.240884262482333
Energy: 1.2733216634649855
Energy: 1.2114538141259186
Energy: 1.1316087027383752
Energy: 1.4388759538009324
Energy: 1.2153316673540544
Energy: 1.5270651731962792
Energy: 1.1863673417353309
Energy: 1.1475974513551905
Energy: 1.178430459767899
Energy: 1.1612471373300959
Energy: 1.2593853913313586
Energy: 1.1958336433233694
Energy: 1.1564342827966492
Energy: 1.2292785382862168
Energy: 1.2947434923477221
Energy: 2.1801860982092056
Energy: 1.189211510725976
Energy: 1.156915639640852
Energy: 1.1589246030113411
Energy: 1.2895450677797748
Energy: 1.2496686756510125
Energy: 1.2264057721706751
Energy: 1.164900546589703
Energy: 1.2260155069838505
Energy: 1.164766298424415
Energy: 1.3102274817632482
Energy: 1.1887436624698118
Energy: 1.1730441379187257
Energy: 1.203423981305376
Energy: 1.4114069107593195
Energy: 1.2060743127809008
Energy: 1.1734583873411593
Energy: 1.1604203062928076
Energy: 1.2361737517654852
Energy: 1.3028403790343357
Energy: 1.1834279681803959
Energy: 1.2397204604694816
Energy: 1.2581050037837673
Energy: 1.1023365338733715
Energy: 1.565309513328028
Energy: 1.1411000810633813
Energy: 1.2559361109337295
Energy: 1.224715515454013
Energy: 1.1745271659065775

minimum gb energy = 1.0819469399225348 eV
minimum distance =  2.33050703617823 Angstroms
sigma value = 185


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

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Energy: 0.961308434743575
Energy: 1.340414384816501
Energy: 1.0522414278115453
Energy: 0.7114277600846316
Energy: 0.707869022561275
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Energy: 1.1242976702449599
Energy: 1.0920368493576387
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Energy: 1.0454707442656417
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Energy: 1.4366241362230372
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Energy: 1.3572132588218802
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Energy: 1.1199380919965103
Energy: 0.6713986147308418
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Energy: 1.172599305653524
Energy: 0.6892037129533435
Energy: 0.7635918137981377
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Energy: 1.1408729284250745
Energy: 1.3386116136994084
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Energy: 1.0075262033438293
Energy: 1.0004491368698607
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Energy: 1.1463610889554623
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Energy: 0.6934882356105296
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Energy: 0.7057018707170788
Energy: 0.7057810137596292
Energy: 1.163244370314301
Energy: 1.337818171389795
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Energy: 1.1369003157081923
Energy: 0.620016569190305
Energy: 1.187224750585237
Energy: 1.2880671193988629
Energy: 1.0854398887370147
Energy: 1.0364721697110062
Energy: 1.0384050973287438
Energy: 1.1584433645897507
Energy: 1.3122479285571846
Energy: 1.0992852993447608
Energy: 0.6551322363380271
Energy: 1.105085500469714
Energy: 1.3071609190916054
Energy: 1.187292410273392
Energy: 1.1508488065164608
Energy: 0.7299846237718145
Energy: 1.1104768242383656
Energy: 1.1932987271044244
Energy: 1.1820340296016565
Energy: 0.6570570756215065
Energy: 0.7448148693827193
Energy: 1.0752117205252754
Energy: 1.3538405084772178
Energy: 1.1799949442377187
Energy: 0.7291783016090141
Energy: 0.8227110690220754
Energy: 1.2121770861468395
Energy: 1.3202359412828546
Energy: 1.1540098740440006
Energy: 1.1631637084355813
Energy: 1.0897838143960474
Energy: 1.1098581061104498
Energy: 1.3217863887877515
Energy: 1.0105940827889965
Energy: 0.9293615074404615
Energy: 0.8568664353711918
Energy: 1.1401463743763836
Energy: 1.2943219538025357
Energy: 1.2070932748344665
Energy: 0.9155660564855276
Energy: 1.283778046673673
Energy: 1.3300210284788305
Energy: 1.3720913981552862
Energy: 0.961341402560762
Energy: 0.6287701653260473
Energy: 0.9511231916274887
Energy: 1.0675498865675999
Energy: 1.3984239036335355
Energy: 0.9063912398507747

minimum gb energy = 0.5596190415261644 eV
minimum distance =  2.4155784347445 Angstroms
sigma value = 33


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

Energy: 2.032501494824271
Energy: 1.0382975304577835
Energy: 1.1221804241594386
Energy: 1.0528457133577838
Energy: 1.003332516763476
Energy: 2.0034835134345648
Energy: 1.0611955620750002
Energy: 1.153861459883948
Energy: 1.064820517726395
Energy: 1.0244276091534998
Energy: 1.0937849897975571
Energy: 1.1121613558798429
Energy: 1.0920565478067916
Energy: 1.0664827992782933
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Energy: 1.115140302407234
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Energy: 1.1200168260240397
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Energy: 1.0806316020400346
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Energy: 1.3177652446645798
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Energy: 1.0340176017577376
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Energy: 1.0424492791125195
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Energy: 1.0377757236315095
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Energy: 1.1418517563378017
Energy: 1.0468918799809146
Energy: 1.047801487387087
Energy: 1.040248169874164
Energy: 1.7012392304466257
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Energy: 1.0308840314803112
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Energy: 1.1551263095062638
Energy: 1.0834096614498634
Energy: 1.3760768658269507
Energy: 1.0789941279430495
Energy: 1.0597241359213303
Energy: 1.132279825374994
Energy: 1.0847786136641635
Energy: 1.0720992338098
Energy: 1.0721253763884426
Energy: 1.1277545612694495
Energy: 1.037665895338954
Energy: 1.0356233878456718
Energy: 1.1959379215188488
Energy: 1.0368231802918828
Energy: 1.1391614700681152
Energy: 1.039226206947733
Energy: 1.0350307410530457
Energy: 1.3361985140759607
Energy: 1.0267402203329117
Energy: 1.2106988290774066
Energy: 1.1583980021094358
Energy: 1.4560539432000088
Energy: 1.0364093557076943
Energy: 1.0313502200437488
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Energy: 1.058183406987925
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Energy: 1.0217742383253539
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Energy: 1.2036425421476522
Energy: 1.2158242604488756
Energy: 1.016070682844853
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Energy: 1.251059235898805
Energy: 1.0594184671314844
Energy: 1.0301986760174429
Energy: 1.0198758976922337
Energy: 1.0345625828007543
Energy: 1.2255332338122378
Energy: 1.0799766151529733
Energy: 1.0262553667236887
Energy: 1.1256245106582117
Energy: 1.1024450721982706
Energy: 1.1067800705067967
Energy: 1.0901692115219233
Energy: 1.0839261677444731
Energy: 1.0183999779067285
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Energy: 1.1334201835962154
Energy: 1.0775468343287917
Energy: 1.0912625305498922
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Energy: 1.1262900794474011
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Energy: 1.0261177440314055
Energy: 0.9997478376295019
Energy: 1.0224202354686132
Energy: 1.1090175832927263
Energy: 1.0556950571257169
Energy: 1.0754527023881348

minimum gb energy = 0.9979088944904144 eV
minimum distance =  2.33968224202236 Angstroms
sigma value = 219


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

Energy: 1.9752140042018038
Energy: 1.3911090785695113
Energy: 1.5949519494731923
Energy: 1.4004348839712146
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Energy: 1.3390067305564572
Energy: 1.6657475840264475
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Energy: 1.4091854759372986
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Energy: 1.4503550447974736
Energy: 1.480429076863
Energy: 1.2699424741183523
Energy: 1.3145380617759772
Energy: 1.4518033589572652
Energy: 1.450072087801785
Energy: 1.478671780693258
Energy: 1.2703544687786024
Energy: 1.3150926811339223
Energy: 1.5112381088784521
Energy: 1.3990547450238457
Energy: 1.4063717641597149
Energy: 1.4063407850479028
Energy: 1.286275867411971
Energy: 1.5116756351282892
Energy: 1.3993622254046971
Energy: 1.468979383138947
Energy: 1.406457511403298
Energy: 1.2942485110976192

minimum gb energy = 1.244566936777997 eV
minimum distance =  2.28992354243893 Angstroms
sigma value = 15


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

Energy: 2.2849565350731136
Energy: 1.6659131524924233
Energy: 1.7441857074884437
Energy: 1.6257369897718077
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Energy: 2.24395756708683
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Energy: 1.582349347075574
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Energy: 1.8743689289191952
Energy: 1.6666795445153608
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Energy: 1.4204854061879506
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Energy: 1.5701918833100477
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Energy: 1.7572902540606912
Energy: 1.7413897281748363
Energy: 1.4502522148212666
Energy: 1.411255956477886
Energy: 1.5856413099958242
Energy: 1.8240277210616858
Energy: 1.7115917615323681
Energy: 1.4496729670834951
Energy: 1.4003504019321094
Energy: 1.8543571794439446
Energy: 1.7951460633486254
Energy: 1.5551369967925412
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Energy: 1.6465523251848566
Energy: 1.8527471052795814
Energy: 1.788505512184814
Energy: 1.5194909828255372
Energy: 1.4626326051372078
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minimum gb energy = 1.3827642145212757 eV
minimum distance =  2.24674368326272 Angstroms
sigma value = 293


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

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Energy: 1.6571936386438697
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Energy: 1.5259736967303679
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Energy: 1.6980156337699788
Energy: 1.8729442687927005
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Energy: 1.7778140431481488
Energy: 1.8124408126558424
Energy: 1.6138033916145735
Energy: 1.88696278174897
Energy: 2.08671532124317
Energy: 1.7394796925232439
Energy: 1.4678787155820197
Energy: 1.406637309142944
Energy: 1.6110134041212574
Energy: 1.9239651974223502
Energy: 1.6630528438287582
Energy: 1.4906740532624165
Energy: 1.487297196015299
Energy: 1.616856799796636
Energy: 1.8146911281107714
Energy: 1.4115874471288463
Energy: 1.4389400018196545
Energy: 1.4455257014135086
Energy: 1.57511780712457
Energy: 1.5106924159376867
Energy: 1.4117352358888746
Energy: 1.4394915890954811
Energy: 1.4120422492288767
Energy: 1.6423485667014048
Energy: 1.47818649730393
Energy: 1.6320588514775156
Energy: 1.845186791558016
Energy: 1.4794447769598977
Energy: 1.777101763329646
Energy: 1.5566152996232296
Energy: 1.5889456640147488
Energy: 1.8493870540172088
Energy: 1.4804690078554643
Energy: 1.7765015540867743
Energy: 1.5670702086245787
Energy: 1.4956568048928676
Energy: 1.478823541427441
Energy: 1.5427856427510729
Energy: 1.619847770018111
Energy: 1.541734393053205
Energy: 1.4187185217172464
Energy: 1.4786379860097298
Energy: 1.590906359077718
Energy: 1.6213855178683054
Energy: 1.506139177386386
Energy: 1.4779293921816168
Energy: 1.4829634225575603
Energy: 1.6982754871989638
Energy: 1.546556520161401
Energy: 1.6152369106700515
Energy: 1.4783030517396685
Energy: 1.5816919254724189
Energy: 1.6931862869751948
Energy: 1.5451729358402022
Energy: 1.6145852539386365
Energy: 1.9252983872897416
Energy: 1.6080101705579428
Energy: 1.611731116458435
Energy: 1.7067523543682135
Energy: 1.5636504125903707
Energy: 1.8027155217378747
Energy: 1.4664409252694919
Energy: 1.6133244405401452
Energy: 1.701921416370306
Energy: 1.5282197079570805

minimum gb energy = 1.3532646273627111 eV
minimum distance =  2.30305249040236 Angstroms
sigma value = 293


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

Energy: 1.4440940103535567
Energy: 1.2506915200944142
Energy: 1.6536204709844615
Energy: 1.8345678009922757
Energy: 1.2508202643974147
Energy: 1.4451456333849784
Energy: 1.3694793551218551
Energy: 1.652496991383548
Energy: 1.8341399089592068
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Energy: 1.486254095184263
Energy: 1.2691322206044913
Energy: 1.3570430587597642
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Energy: 1.270310083471578
Energy: 1.2690190504385968
Energy: 1.371226512177484
Energy: 1.3663162405053868
Energy: 1.6516104784392904
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Energy: 1.2677344017719225
Energy: 1.3709485887863175
Energy: 1.3667677630530946
Energy: 1.650934409635528
Energy: 1.3644992922835562
Energy: 1.3646814619415095
Energy: 1.256118412288073
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Energy: 1.2513723797357794
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Energy: 1.2689835285822195
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Energy: 1.46108365350308
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Energy: 1.834493053675944
Energy: 1.2560232171174701
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Energy: 1.6523390771400337
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Energy: 1.3682071276096934
Energy: 1.3649020452323477
Energy: 1.2689561574375519
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Energy: 1.6513291150895364
Energy: 1.2534927334380463
Energy: 1.251737312881254
Energy: 1.268111716495679
Energy: 1.3680928488890352
Energy: 1.6500970335115446
Energy: 1.405306190004211
Energy: 1.250696695762238
Energy: 1.269045808936159
Energy: 1.3693883347462492
Energy: 1.438616216260538
Energy: 1.367966079157359
Energy: 1.4580115920736152
Energy: 1.6521182926611278
Energy: 1.6516563178998585
Energy: 1.438473456543066
Energy: 1.3679295671839267
Energy: 1.4591066256166219
Energy: 1.6520407899636065
Energy: 1.6514182840897655
Energy: 1.2697321767814702
Energy: 1.6523588396211113
Energy: 1.2803091590080427
Energy: 1.3546981361848731
Energy: 1.2510027701194188
Energy: 1.438766153942184
Energy: 1.6573805659247154
Energy: 1.271524137033088
Energy: 1.3540061854744958
Energy: 1.2502749330903828
Energy: 1.2699674511595074
Energy: 1.3573224641426171
Energy: 1.2694439917935565
Energy: 1.2713441244073291
Energy: 1.6539099637587433
Energy: 1.2848626548161575
Energy: 1.4609587154168169
Energy: 1.2690050225488243
Energy: 1.269694840178965
Energy: 1.6724913498299874
Energy: 1.2684358612829048
Energy: 1.3655069033425324
Energy: 1.649587514367926
Energy: 1.4453290789740896
Energy: 1.3680358598608955
Energy: 1.2681449660307589
Energy: 1.566302563616976
Energy: 1.7110244915233366
Energy: 1.44411563999688
Energy: 1.3690723875663302
Energy: 1.367300776757162
Energy: 1.2505618930641689
Energy: 1.438646536014549
Energy: 1.2519749468597237
Energy: 1.6526087044363458
Energy: 1.2688534381638326
Energy: 1.2697337942912388
Energy: 1.2689754874902544
Energy: 1.2525756546407436
Energy: 1.6519625408988063
Energy: 1.354142025089734
Energy: 1.6520294060165928
Energy: 1.8323679563666209
Energy: 1.2700502862117713
Energy: 1.5615332578814778
Energy: 1.3778692371622752
Energy: 1.354209509046514
Energy: 1.8328228005594314
Energy: 1.269163652488916
Energy: 1.5616825489964916
Energy: 1.2524725372899563
Energy: 1.2692205289272238
Energy: 1.283399823193651
Energy: 1.3643220929014492
Energy: 1.3261680343226332
Energy: 1.2510079934042977
Energy: 1.2687905490421987
Energy: 1.3591016443784623
Energy: 1.2697575561831203
Energy: 1.2691744249441848

minimum gb energy = 1.2502414681113354 eV
minimum distance =  2.33155924023624 Angstroms
sigma value = 15


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

Energy: 2.550206787283697
Energy: 1.641444387968723
Energy: 1.6963571740961778
Energy: 1.801661697829328
Energy: 1.59295051863945
Energy: 2.4245831475397654
Energy: 1.5972061549076668
Energy: 1.866413503379906
Energy: 1.7414994109420334
Energy: 1.6409285889730556
Energy: 1.3332943339607346
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Energy: 1.4699603157049048
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Energy: 1.3648018815093113
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Energy: 1.8109607933602163
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Energy: 1.372731894736515
Energy: 1.6216508041245308
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Energy: 1.375021609670503
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Energy: 1.5480005341031446
Energy: 1.6069860537113365
Energy: 1.5212101045511455
Energy: 1.364870964571876
Energy: 1.3806301156349847
Energy: 1.73500357092601
Energy: 1.5598448617125815
Energy: 1.3960954578777518
Energy: 1.3513303770183784
Energy: 1.6385960822027295
Energy: 1.5684789484636212
Energy: 1.5670233797959485
Energy: 1.605075449125595
Energy: 1.3541829634883946
Energy: 1.6060281656665614
Energy: 1.659071434565477
Energy: 1.644756935103303
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Energy: 2.4273038282733137
Energy: 1.6682774770886173
Energy: 1.8038796548210818
Energy: 1.9234509061974834
Energy: 1.638556844590443
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Energy: 1.7204416144137662
Energy: 1.9239317688891822
Energy: 1.9382954240357284
Energy: 1.6506943766485525
Energy: 1.9021852933312478
Energy: 1.3954525979438066
Energy: 1.4649581823471254
Energy: 1.5326525628473158
Energy: 1.644758252785919
Energy: 1.9271655267075614
Energy: 1.46495746504606
Energy: 1.4627397733185052
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Energy: 1.6266559482135654
Energy: 1.577386053452919
Energy: 1.5510703108769477
Energy: 1.5268156737979242
Energy: 1.572937166449745
Energy: 1.5930357457509898
Energy: 1.5278622652993792
Energy: 1.5417806693073326
Energy: 1.5085444378446373
Energy: 1.6143333479075246
Energy: 1.632526557480951
Energy: 1.591252610190796
Energy: 1.555580999871806
Energy: 1.9841568326954535
Energy: 1.5514576636912412
Energy: 1.5448342763124685
Energy: 1.702407989722519
Energy: 1.5539396760790842
Energy: 1.86310144442509
Energy: 1.5806666039618917
Energy: 1.6553245062764321
Energy: 1.7500775042874548
Energy: 1.6643251915996182
Energy: 2.0136680806007026
Energy: 1.7676989633993472
Energy: 1.8807503032637558
Energy: 1.6805852735170501
Energy: 1.9960130199098354
Energy: 2.0103668739327523
Energy: 1.688996064502525
Energy: 1.8131212913280814
Energy: 1.6758948499582096
Energy: 1.4853719768532592
Energy: 1.3382853593101225
Energy: 1.6512110460367873
Energy: 1.8946800736124711
Energy: 1.6902225191968783
Energy: 1.4553456602059622
Energy: 1.490860745797127
Energy: 1.699921601790748
Energy: 1.8941614735357524
Energy: 1.354286446637077
Energy: 1.3761770320352353
Energy: 1.3529141129788727
Energy: 1.6895382143768305
Energy: 1.8635954119886142
Energy: 1.3628296009056942
Energy: 1.3831944917424672
Energy: 1.3541265229266655
Energy: 1.6580228614243127
Energy: 1.8551545131959157
Energy: 1.449298990127451
Energy: 1.3726398569026579
Energy: 1.4835902749411987
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Energy: 1.7206392912531294
Energy: 1.3777586634948684
Energy: 1.3847545183500303
Energy: 1.6529295238758324
Energy: 1.8164755322705854
Energy: 1.6974598105935226
Energy: 1.7448729772256646
Energy: 1.8241314513990692
Energy: 1.6433403471254646
Energy: 1.7357389723162868
Energy: 1.61728464124647
Energy: 1.7192133373579566
Energy: 1.676632296450785
Energy: 1.6970345303153984
Energy: 1.9846899402353186
Energy: 1.664981734914584
Energy: 1.599251904563447
Energy: 1.8906900486366014
Energy: 1.744605668212842
Energy: 1.4394680701178078
Energy: 1.5847753500836694
Energy: 1.5849324183758677
Energy: 1.8949388178334954
Energy: 1.4519559989424577
Energy: 1.3950510666083284
Energy: 1.5527007372978259
Energy: 1.8864127984139079
Energy: 1.5879651509189714
Energy: 1.379849277554943
Energy: 1.4193024028347525
Energy: 1.4008560468771625
Energy: 1.8744734005115995
Energy: 1.5964606781706778
Energy: 1.3647876897183255
Energy: 1.404487749071806
Energy: 1.3988030880357787
Energy: 1.655068363608609
Energy: 1.513802972513565
Energy: 1.6800868278178789
Energy: 1.4648287087433396
Energy: 1.603862213223544
Energy: 1.6560201319733219
Energy: 1.5861945394362484
Energy: 1.376732448619279
Energy: 1.7535412898849374
Energy: 1.5498104208915695
Energy: 1.7710150141796617
Energy: 1.5574143461102155
Energy: 1.59114990100314
Energy: 1.7484149239925464
Energy: 1.8173074017523825
Energy: 1.8682312164639097
Energy: 1.6834435876415184
Energy: 1.5232315280935378
Energy: 1.7364198808962357
Energy: 1.8953372533724622
Energy: 1.4717133062567986
Energy: 1.5053342979528297
Energy: 1.7231969524609538
Energy: 1.5944426638181266
Energy: 1.4294643523056305
Energy: 1.4760505598767844
Energy: 1.5122783674210076
Energy: 1.8641815097023622
Energy: 1.5213730647246801
Energy: 1.491009443059425
Energy: 1.5537398269979956
Energy: 1.8532800587572233
Energy: 1.5875301581332877
Energy: 1.622128602287412
Energy: 1.4833073079555747
Energy: 1.4637010893719986
Energy: 1.6468015623701564
Energy: 1.560685843192001
Energy: 1.6150411514133118
Energy: 1.493052761762834
Energy: 1.6846910912752706
Energy: 1.5843602387508595
Energy: 1.6408205150194708
Energy: 1.5386493758960536
Energy: 1.9560450271030234
Energy: 1.6645785332938294
Energy: 1.558637735649067
Energy: 1.5641536312075441
Energy: 1.5402555108250868
Energy: 1.9557739787838597
Energy: 1.8382846178877477
Energy: 1.8045720516771475
Energy: 1.8629521156722078
Energy: 1.7589591269222136
Energy: 2.2201540941118183
Energy: 1.8226731887402887
Energy: 1.7922601579540725
Energy: 1.9152900344844381
Energy: 1.7495071585132083
Energy: 2.220034336974844
Energy: 1.6440347024512156
Energy: 1.7554549571377271
Energy: 1.7638669892774619
Energy: 1.7829257925586737
Energy: 1.3350400225198367
Energy: 1.668818637465422
Energy: 1.7696229533419139
Energy: 1.7646178358088032
Energy: 1.8015026446863913
Energy: 1.3595281972452382
Energy: 1.3501050522696887
Energy: 1.704506488610302
Energy: 1.3792327668519297
Energy: 1.3627776887310228
Energy: 1.3463933095887068
Energy: 1.3650296424301371
Energy: 1.6987507637242583
Energy: 1.423764357866447
Energy: 1.3811421565464044
Energy: 1.353828373718691
Energy: 1.4958977663588706
Energy: 2.113809866966524
Energy: 1.6940543407420656
Energy: 1.3303064780114524
Energy: 1.3422147419837556
Energy: 1.6499310629364141
Energy: 1.715037102622133
Energy: 1.4925972900788111
Energy: 1.3467552933041718
Energy: 1.365421087633595
Energy: 1.7330357365492288
Energy: 1.8051205421162504
Energy: 1.6468606250862732
Energy: 1.9593969413721442
Energy: 1.6509086721665793
Energy: 1.7732411141585112
Energy: 1.809949799761607
Energy: 1.653479228512716
Energy: 1.9516122907635185
Energy: 1.602327701090804
Energy: 1.4478943393718484
Energy: 1.3621895862126483
Energy: 1.6392229422633977
Energy: 1.7666133016189671
Energy: 1.7387098658579319
Energy: 1.5745487057474863
Energy: 1.4203767963305602
Energy: 1.6203056359992216
Energy: 1.8357938599134933
Energy: 1.7087378753730207
Energy: 1.351253356630691
Energy: 1.3665543660050148
Energy: 1.4073490506799329
Energy: 1.9207723619233434
Energy: 1.3872867314952515
Energy: 1.3680421432594538
Energy: 1.4043191573167
Energy: 1.5831368859125665
Energy: 1.8713387978894667
Energy: 1.392037668529447
Energy: 1.3573858581879337
Energy: 1.7052827877577632
Energy: 1.6065656163955402
Energy: 1.570235836929088
Energy: 1.5926580259880307
Energy: 1.385194888645352
Energy: 1.6336273258928162
Energy: 1.6651646145944374
Energy: 1.6047510041769966
Energy: 1.6404828795436357
Energy: 2.053823039198479
Energy: 1.7605151810146793
Energy: 1.7444585402451376
Energy: 1.6253051267953207
Energy: 1.7190505003932044
Energy: 2.1087967555435925
Energy: 1.6008633635098857
Energy: 1.8282583024200776
Energy: 1.6325558931700794
Energy: 1.644921915999933

minimum gb energy = 1.327703452569162 eV
minimum distance =  2.286780493668 Angstroms
sigma value = 437


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

Energy: 1.9614493134213533
Energy: 1.5236860062749755
Energy: 1.6626554175362913
Energy: 1.645028477382336
Energy: 1.6403732314984285
Energy: 1.9626522860828677
Energy: 1.585574626583016
Energy: 1.6754224920657521
Energy: 1.6240866316449039
Energy: 1.6242759761717873
Energy: 1.4837631043887374
Energy: 1.6040538086568108
Energy: 1.564860716579846
Energy: 1.5073336911518171
Energy: 1.7771639125014602
Energy: 1.373858938138442
Energy: 1.6040267258072065
Energy: 1.5802996056968164
Energy: 1.5840905114464572
Energy: 1.9290561155061503
Energy: 1.3425863369495346
Energy: 1.498340319501271
Energy: 1.6239015164963508
Energy: 1.643306331523917
Energy: 1.4257559805786995
Energy: 1.3454986244376497
Energy: 1.6118907192225247
Energy: 1.6371046999674794
Energy: 1.4657050248316148
Energy: 1.425414767672568
Energy: 1.483948771005023
Energy: 1.4973518408556024
Energy: 1.8675150310755984
Energy: 1.458812970031678
Energy: 1.4268095303017152
Energy: 1.494413302626376
Energy: 1.4678829047077513
Energy: 1.8569374968111085
Energy: 1.4096126532637014
Energy: 1.4137719481909186
Energy: 1.5416908331838628
Energy: 1.6773299640001968
Energy: 1.9094649470377765
Energy: 1.4959332864645631
Energy: 1.790757142308965
Energy: 1.567834298025385
Energy: 1.676234266900332
Energy: 1.9004847304502754
Energy: 1.5162684389621728
Energy: 1.793263294689916
Energy: 1.626066739482786
Energy: 1.304184901911936
Energy: 1.5160389026447467
Energy: 1.538951689103422
Energy: 1.958403748566237
Energy: 1.6636921565348575
Energy: 1.3020086909883746
Energy: 1.61328506175791
Energy: 1.5699971942858137
Energy: 1.9580081939711023
Energy: 1.4031374223210087
Energy: 1.3664653907871218
Energy: 1.393867332242572
Energy: 1.3218369271642165
Energy: 1.6142800887054243
Energy: 1.3884037738049233
Energy: 1.3807644013318487
Energy: 1.379475468969465
Energy: 1.6872526931451322
Energy: 1.5652571915858569
Energy: 1.572176476299361
Energy: 1.3607505939980051
Energy: 1.3928276369164159
Energy: 1.7806518910931606
Energy: 1.5569986716955178
Energy: 1.5653506304894886
Energy: 1.3732810096515338
Energy: 1.4826321266890514
Energy: 1.778600193176684
Energy: 1.552809088899663
Energy: 1.5065917602255254
Energy: 1.9434402995682347
Energy: 1.6557127135922705
Energy: 1.6329676822064327
Energy: 1.3832137155853954
Energy: 1.5122514927589605
Energy: 1.954769590895006
Energy: 1.6141224741660842
Energy: 1.630382425585547
Energy: 1.4822806089106437
Energy: 1.6385246887525968
Energy: 1.9218078692972917
Energy: 1.4786877129414215
Energy: 1.7520439232728007
Energy: 1.613511342707667
Energy: 1.5215826575729887
Energy: 1.853475363819755
Energy: 1.4752028857140922
Energy: 1.752030879692148
Energy: 1.609570389725763
Energy: 1.3209508508368872
Energy: 1.29395869831062
Energy: 1.610497504919014
Energy: 1.8140818284428433
Energy: 1.6417994787255903
Energy: 1.3372412514698764
Energy: 1.2992754247226495
Energy: 1.6048363895017181
Energy: 1.8114652893702436
Energy: 1.491434550592023
Energy: 1.251181081220489
Energy: 1.2616852272545531
Energy: 1.2919057989705043
Energy: 1.764986977155645
Energy: 1.2909532827916552
Energy: 1.2523952821314044
Energy: 1.2570180914202764
Energy: 1.5198118248065986
Energy: 1.6816174437195857
Energy: 1.2898844631692934
Energy: 1.26707187884668
Energy: 1.6089281231078663
Energy: 1.7025097115868821
Energy: 1.6531278545315253
Energy: 1.6101848593509733
Energy: 1.3612550477595349
Energy: 1.6057802043918843
Energy: 1.777721125652394
Energy: 1.5852616201838983
Energy: 1.583164082168754
Energy: 2.270845436163086
Energy: 1.6820915160970633
Energy: 1.7125075979868705
Energy: 1.452801027423606
Energy: 1.3099973963732092
Energy: 2.034710168682248
Energy: 1.6775459805983683
Energy: 1.7931432658152837
Energy: 1.429768286447152
Energy: 1.634720273283289

minimum gb energy = 1.251181081220489 eV
minimum distance =  2.28282693513827 Angstroms
sigma value = 33