Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
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=2.860195450484753
cohesive_energy=4.280338510564498
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, 8.79692704840674e-21, 1.2913127104115159e-19, 2.7123889107639595e-19, 3.75024689073648e-19, 4.34827534114332e-19, 4.61165715800658e-19, 4.81660759302786e-19, 5.041969758366299e-19, 5.28620556445326e-19, 5.538532362541919e-19, 5.78640510958806e-19, 6.018240068527859e-19, 6.22528935493968e-19, 6.40202545943622e-19, 6.545900921169419e-19, 6.6565632612797995e-19, 6.73527819930822e-19, 6.784577174336401e-19, 6.81713340353928e-19, 6.8397721593777e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837673307987159e-19, 6.810420283442819e-19, 6.768699603893459e-19, 6.709883699659319e-19, 6.630752195706059e-19, 6.52747588987842e-19, 6.39537642640512e-19, 6.228782100001799e-19, 6.02069139877788e-19, 5.762452568909759e-19, 5.443331026949639e-19, 5.04983644563924e-19, 4.5648415567611e-19, 3.9664446057284396e-19, 3.2263671749511596e-19, 2.30758296241752e-19, 1.1132788428414358e-19, -7.192395214754759e-20, -3.2424850718892e-19, -6.389896982316839e-19, -1.0174077974161438e-18, -1.473178984490124e-18, -2.04905574075528e-18, -2.9438073037789197e-18, -4.393168330428e-18, -6.4144903936487395e-18, -9.263913471918719e-18, -1.40696743291344e-17, -2.3812991093478598e-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: 0.014918489110454743
Energy: 0.1143557183819574
Energy: 0.08126858056433917
Energy: 0.08053000431357417
Energy: 0.11501478588000257
Energy: 0.07957497746017825
Energy: 0.11500762245795325
Energy: 0.0802606031906514
Energy: 0.08180995582040389
Energy: 0.018695953164898103
Energy: 0.08245456470428923
Energy: 0.07999996845631306
Energy: 0.11474712386171756
Energy: 0.01613072954642777
Energy: 0.01659937547664109
Energy: 0.07969216475886974
Energy: 0.07995309744239273
Energy: 0.1138973364376793
Energy: 0.07976044238204127
Energy: 0.1158447293968328
Energy: 0.08034636212781911
Energy: 0.07970737496299801
Energy: 0.11392170129319384
Energy: 0.018810215585920075
Energy: 0.08099881330743582
Energy: 0.11391611458537364
Energy: 0.015438809244999557
Energy: 0.015304209182263691
Energy: 0.11373603875710787
Energy: 0.08124372455176895
Energy: 0.01719897432370846
Energy: 0.11580853444290087
Energy: 0.07972722523505903
Energy: 0.08007674845292395
Energy: 0.07974731096600843
Energy: 0.07978706082390605
Energy: 0.01626562575458446
Energy: 0.015729696506492127
Energy: 0.08029538812855734
Energy: 0.015257864955670903
Energy: 0.017293126284864457
Energy: 0.08104238839595125
Energy: 0.08002074399160983
Energy: 0.01655578696584114
Energy: 0.015227264315905296
Energy: 0.07974289485019949
Energy: 0.08161429453654785
Energy: 0.08092961015789381
Energy: 0.07999149466030603
Energy: 0.015044778149567912
Energy: 0.08019894135368243
Energy: 0.08291478870970016
Energy: 0.11678955856387668
Energy: 0.0158871458187227
Energy: 0.015278958649596356
Energy: 0.0801676621617535
Energy: 0.01616226744207976
Energy: 0.017408794760958246
Energy: 0.07987639242587173
Energy: 0.07963407136148155
Energy: 0.015360691721778084
Energy: 0.1143735935243118
Energy: 0.07957183499838671
Energy: 0.1140426905068467
Energy: 0.08039716755444963
Energy: 0.11374318954488612
Energy: 0.015568257177916729
Energy: 0.01784455529542634
Energy: 0.11391714519769384
Energy: 0.08015532583633393

minimum gb energy = 0.014918489110454743 eV
minimum distance =  2.4762595462807 Angstroms
sigma value = 3


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

Energy: 2.225030476803584
Energy: 1.6539432734397688
Energy: 1.6376921500123083
Energy: 1.4918704126478133
Energy: 1.510605510111266
Energy: 1.4992754093306278
Energy: 1.5161649585939534
Energy: 1.5666313054404752
Energy: 1.6826590446585314
Energy: 1.7018693794637652
Energy: 1.582022981388579
Energy: 1.7407142131882272
Energy: 1.6393213771975348
Energy: 1.665023028600633
Energy: 1.6701127066074954
Energy: 1.7059605960399091
Energy: 1.5176785893282
Energy: 1.5302828992268749
Energy: 1.4741257298679042
Energy: 1.561215956038533
Energy: 1.6173967919314018
Energy: 1.4624332120671237
Energy: 1.4923755262821718
Energy: 1.5552347427364586
Energy: 1.539284304576197
Energy: 1.6274133614290263
Energy: 1.7381868916201029
Energy: 1.6092035747736708
Energy: 1.6289455495026541
Energy: 1.6459076623951179
Energy: 1.691377453863547
Energy: 1.5936837999867917
Energy: 1.66824524124328
Energy: 1.6569409616250645
Energy: 1.4397830038782145
Energy: 1.5155258526500373
Energy: 1.5118075394685975
Energy: 1.7091842593619833
Energy: 1.608468445540925
Energy: 1.7580581095312604
Energy: 1.6889151780755625
Energy: 1.7254936276043555
Energy: 1.6633174863513807
Energy: 1.6616729383732414
Energy: 1.5046303997230053
Energy: 1.5134503078250277
Energy: 1.5198145771777625
Energy: 1.4387358295977901
Energy: 1.6005046685269917
Energy: 1.4892961221250358
Energy: 1.427601165942061
Energy: 1.609429590465619
Energy: 1.5347172887070584
Energy: 1.5035073333210653
Energy: 1.6616253201085642
Energy: 1.4787194926655882
Energy: 1.5580301991666774
Energy: 1.4632931953308839
Energy: 1.489331043688409
Energy: 1.4331888601727574
Energy: 1.4463288923794684
Energy: 1.4919304336497026
Energy: 1.4447420584373902
Energy: 1.3981678552525605
Energy: 1.5380072566926983
Energy: 1.4906030017202434
Energy: 1.454287933206091
Energy: 1.5299160442249182
Energy: 1.467395159358729
Energy: 1.4154877483933483
Energy: 1.5109964999811836
Energy: 1.4303394194523869
Energy: 1.3937350194226081
Energy: 1.3779566220955937
Energy: 1.4291490122961161
Energy: 1.433237152012614
Energy: 1.4148612316277984
Energy: 1.625190971822045
Energy: 1.5808496847342395
Energy: 1.4439829670590651
Energy: 1.6129416370743006
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Energy: 1.4264693694162491
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Energy: 1.3647617804573373
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Energy: 1.446566531652325
Energy: 1.5581695797899795
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Energy: 1.4149676591691671
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Energy: 1.459797813218093
Energy: 1.502539170607845
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Energy: 1.554684328457719
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Energy: 1.57510592821146
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Energy: 1.5319784464223363
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Energy: 1.4980872125541127
Energy: 1.572852258163281
Energy: 1.72501511771816
Energy: 1.5817544899622142
Energy: 1.5888005465608115
Energy: 1.6530305812879604
Energy: 1.516643577807146
Energy: 1.5831709360548056
Energy: 1.584367762020352
Energy: 1.524431541975146
Energy: 1.4499329832391181
Energy: 1.6741927258027816
Energy: 1.4760657524722067
Energy: 1.4702632370201685
Energy: 1.515061788484119
Energy: 1.5381963899375042
Energy: 1.8589058239930571
Energy: 1.707707609287562
Energy: 1.529868654979622
Energy: 1.6258107827638042
Energy: 1.4175888777358605
Energy: 1.4650573318603164
Energy: 1.5153241169894323
Energy: 1.525879668070914
Energy: 1.5460715761024255
Energy: 1.597164853438229
Energy: 1.5907312961888427
Energy: 1.5757955916007094
Energy: 1.7339877320606323
Energy: 1.6737014004698951
Energy: 1.6308149652980446
Energy: 1.6073680233930354
Energy: 1.8585031044314841
Energy: 1.7330740734949759
Energy: 1.6092688994975937
Energy: 1.54276395414326
Energy: 1.5365164224124632
Energy: 1.4932765561276193
Energy: 1.4479499422715723
Energy: 1.4855244600313031
Energy: 1.5680638688198711
Energy: 1.5750006568746235
Energy: 1.5318541871486047
Energy: 1.5868935277114642
Energy: 1.742539155977416
Energy: 1.6136707550235276
Energy: 1.7139110296870812
Energy: 1.6552557534414598
Energy: 1.6019037558457638
Energy: 1.691424038408524
Energy: 1.6927772795542755
Energy: 1.4110927526257584
Energy: 1.515094263539379
Energy: 1.5436501350101988
Energy: 1.520636110754646
Energy: 1.427732707890474
Energy: 1.478735664922095
Energy: 1.6829897645852383
Energy: 1.7172649950547936
Energy: 1.672110749605484
Energy: 1.6598890876175045
Energy: 1.5159932719851237
Energy: 1.5019692055554468
Energy: 1.5406588173576226
Energy: 1.4184350815263431
Energy: 1.4205370761153944
Energy: 1.4383307522972015
Energy: 1.56562678713307
Energy: 1.6457615373391925
Energy: 1.5236924552819364
Energy: 1.474346156933362
Energy: 1.6586693231391303
Energy: 1.499772283513843
Energy: 1.4869796291665207
Energy: 1.5346173858673844
Energy: 1.5278199476632566
Energy: 1.4111724598887372
Energy: 1.4409356755466032
Energy: 1.5297926793016285
Energy: 1.4214032163236443
Energy: 1.414290201491902
Energy: 1.6535819958815485
Energy: 1.4219028309711452
Energy: 1.3990321522349016
Energy: 1.6289510882103977
Energy: 1.56983822413031
Energy: 1.4454227479962272
Energy: 1.462688388507361
Energy: 1.4291710723977828
Energy: 1.3582467846269686
Energy: 1.3961808253010433
Energy: 1.4363351485131863
Energy: 1.374312285682696
Energy: 1.3613074678562782
Energy: 1.4977353594264886
Energy: 1.4561465686766086
Energy: 1.4329957139543819
Energy: 1.6778188338409994
Energy: 1.5659118405362948
Energy: 1.417482581645375
Energy: 1.3975043346425107
Energy: 1.4341339133585709
Energy: 1.4027724222054179
Energy: 1.3607659313746914
Energy: 1.4321340657182073
Energy: 1.43534708026476
Energy: 1.4577652069453093
Energy: 1.4383880091279118
Energy: 1.5695971075179351
Energy: 1.4289473507204313
Energy: 1.4485265873049973
Energy: 1.4141486953314324
Energy: 1.6327614302609148
Energy: 1.381405255358789
Energy: 1.4463246772612233
Energy: 1.5428299737680096
Energy: 1.4199756341409715
Energy: 1.502862680658784
Energy: 1.473216659757505
Energy: 1.5553695632573705
Energy: 1.4813167937581728
Energy: 1.6728245915828484
Energy: 1.612666468771218
Energy: 1.5045344300232597
Energy: 1.7189406700206604
Energy: 1.5967702720933876
Energy: 1.4014650503826531
Energy: 1.4620315665461014
Energy: 1.4066063799555586
Energy: 1.5061385963867728
Energy: 1.4979645415995135
Energy: 1.5087952948554084
Energy: 1.6493058247479435
Energy: 1.6376295031118193
Energy: 1.6496163531002583
Energy: 1.631308611943366
Energy: 1.5369261046957277
Energy: 1.650231543717866
Energy: 1.4646766553857384
Energy: 1.5375991725005178
Energy: 1.5439127436874034
Energy: 1.5062233865366197
Energy: 1.5568309107638156
Energy: 1.5708220777817326
Energy: 1.5442778656973377
Energy: 1.438792273922621
Energy: 1.6642910670295084
Energy: 1.6764511604900185
Energy: 1.6953179779715533
Energy: 1.5704379509699147
Energy: 1.6354894254618122
Energy: 1.5092871702379593
Energy: 1.74965268915334
Energy: 1.5126490117348672
Energy: 1.5226446067009032
Energy: 1.488451210461425
Energy: 1.659122186473724
Energy: 1.591630386709819
Energy: 1.497756848204315
Energy: 1.6214191404786111
Energy: 1.7436802154350233
Energy: 1.7687719556080777

minimum gb energy = 1.3582467846269686 eV
minimum distance =  2.21728608589362 Angstroms
sigma value = 75


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

Energy: 2.3239868845158664
Energy: 1.876015012117368
Energy: 1.6524390525039203
Energy: 1.6241658444525437
Energy: 1.6573375042878216
Energy: 1.8026661786605715
Energy: 1.4503369611803156
Energy: 1.5318263236614151
Energy: 1.629800083747757
Energy: 1.7071649267405897
Energy: 1.8059640959193812
Energy: 1.7323866606656069
Energy: 1.688688708537804
Energy: 1.7256154659632565
Energy: 1.6598364236839018
Energy: 1.7383654864201363
Energy: 1.6660159351525266
Energy: 1.498525855757912
Energy: 1.5701381284868476
Energy: 1.578700177802088
Energy: 1.6198701673908942
Energy: 1.4523611062593151
Energy: 1.4787449031720687
Energy: 1.4573940881027743
Energy: 1.6333488925585786
Energy: 1.6299670512762623
Energy: 1.687121694128584
Energy: 1.646947493161205
Energy: 1.5880273591741674
Energy: 1.584641403410843
Energy: 1.6512223854033041
Energy: 1.637620505146596
Energy: 1.6402049715657907
Energy: 1.5924428081313236
Energy: 1.6122729107603595
Energy: 1.4777033563175057
Energy: 1.4536975279164526
Energy: 1.7276890580321587
Energy: 1.7107561313913138
Energy: 1.8704525017967948
Energy: 1.5912514281740888
Energy: 1.6236953038101578
Energy: 1.5613560480819768
Energy: 1.6004171052474208
Energy: 1.5256127367297323
Energy: 1.4677643053003078
Energy: 1.482095502198839
Energy: 1.4853637367610673
Energy: 1.5795128037119153
Energy: 1.6014452146073426
Energy: 1.4545201602763551
Energy: 1.6590756928657602
Energy: 1.505921486960519
Energy: 1.4847070775989546
Energy: 1.578447270893008
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Energy: 1.4541554189218464
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Energy: 1.4915546249578224
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Energy: 1.578097240462173
Energy: 1.550783441075828
Energy: 1.5888665356191851
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Energy: 1.3874061640197801
Energy: 1.4872178544063441
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Energy: 1.661761757153922
Energy: 1.610643154337751
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Energy: 1.4477993613233482
Energy: 1.6820094256405573
Energy: 1.5396945182008153
Energy: 1.5671805120736582
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Energy: 1.5263014167049416
Energy: 1.6660199434594736
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Energy: 1.6412155080156718
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Energy: 1.458401440338002
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Energy: 1.552817946438911
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Energy: 1.5312239172944488
Energy: 1.6807030021046432
Energy: 1.740248099063747
Energy: 1.4064127962564335
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Energy: 1.7286683413235309
Energy: 1.71977751505491
Energy: 1.5878551780946637
Energy: 1.663553258675906
Energy: 1.5034799437150808
Energy: 1.6099017061429535
Energy: 1.5926556046012206
Energy: 1.6749598413733746
Energy: 1.663632359164453
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Energy: 1.5127287930604285
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Energy: 1.67511062137058
Energy: 1.6228941359948243
Energy: 1.6255723535665376
Energy: 1.6283336090711837
Energy: 1.5919137825757197
Energy: 1.720601658791713
Energy: 1.4505677651602158
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Energy: 1.5339721900393333
Energy: 1.78691573102743
Energy: 1.4951681157097394
Energy: 1.4031677557506843
Energy: 1.7250399029252037
Energy: 1.5692745582421832
Energy: 1.536255353104664
Energy: 1.7119333789934286
Energy: 1.49787690703374
Energy: 1.4747233734698255
Energy: 1.4678375935462036
Energy: 1.470021828640126
Energy: 1.5344454532383949
Energy: 1.473694099912729
Energy: 1.505128216597659
Energy: 1.7119765876170028
Energy: 1.4459381371796076
Energy: 1.5865676707042609
Energy: 1.598879907892181
Energy: 1.5246193853584846
Energy: 1.4902651308690997
Energy: 1.5943044095403696
Energy: 1.525974723412964
Energy: 1.4757972726218864
Energy: 1.480125399608984
Energy: 1.605875406970196
Energy: 1.5736626859487794
Energy: 1.5685874073348764
Energy: 1.8042016388864048
Energy: 1.3943242259602322
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Energy: 1.526846623436889
Energy: 1.6137429407510666
Energy: 1.4509435122167393
Energy: 1.4676925083849148
Energy: 1.4916233319720908
Energy: 1.5471744897502333
Energy: 1.6041686897347522
Energy: 1.5925485214197992
Energy: 1.5564954863483573
Energy: 1.6534710525841327
Energy: 1.673624906886126
Energy: 1.6637480187164393
Energy: 1.703722521303298
Energy: 1.7427918961555113
Energy: 1.5891111691233322
Energy: 1.570833179750723
Energy: 1.546845295846794
Energy: 1.630065798109748
Energy: 1.6481029280346624
Energy: 1.7307430372448245
Energy: 1.6682481832301697
Energy: 1.5764560283079687
Energy: 1.7317420725741408
Energy: 1.9575972463265374
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minimum gb energy = 1.3839096707241212 eV
minimum distance =  2.24057097419184 Angstroms
sigma value = 105


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

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Energy: 1.7743410622678528
Energy: 1.634593756099906
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Energy: 1.4960373731164327
Energy: 1.6896601087321412
Energy: 1.6574775106539614
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Energy: 1.5647376679852534
Energy: 1.6699903015077182
Energy: 1.5309751393892603
Energy: 1.4376975706689896
Energy: 1.4894374763149525
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Energy: 1.6430523567495805
Energy: 1.6334933414747623
Energy: 1.5776368133840786
Energy: 1.5415113485072063
Energy: 1.5944497470543655
Energy: 1.4817007813781358
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Energy: 1.4472367596310844
Energy: 1.5242411362311559
Energy: 1.5629842916854608
Energy: 1.5094248956455856
Energy: 1.6128183588684564
Energy: 1.7159801612851178
Energy: 1.422144895566802
Energy: 1.528777971514905
Energy: 1.5213333488194494
Energy: 1.4637096180876839
Energy: 1.4365182115638433
Energy: 1.5343259997519165
Energy: 1.5266364955054867
Energy: 1.529421569967506
Energy: 1.5820560538154993
Energy: 1.632073373248731
Energy: 1.6424153842339355
Energy: 1.7306066062874077
Energy: 1.7681019063567633
Energy: 1.4258002102471012
Energy: 1.4872819785320919
Energy: 1.4547873905461155
Energy: 1.57064842320024
Energy: 1.570350920607289
Energy: 1.5928564004870096
Energy: 1.5888497337975132
Energy: 1.7748811152283819
Energy: 1.77509774819815
Energy: 1.7118601208460609
Energy: 1.709693371715478
Energy: 1.72632238104571
Energy: 1.7376648315390633
Energy: 1.7687495843632393
Energy: 1.628734108068876
Energy: 1.6663098950179014
Energy: 1.5347145106200633
Energy: 1.5709233723599194
Energy: 1.72222244288098
Energy: 1.7137462008252844
Energy: 1.742547547694815
Energy: 1.7341584823276857
Energy: 1.7456002578172718

minimum gb energy = 1.420735794444386 eV
minimum distance =  2.24358815920693 Angstroms
sigma value = 165


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

Energy: 1.9536044445816019
Energy: 1.8796555551368925
Energy: 1.5668785526517883
Energy: 1.5884567131248797
Energy: 1.4543444685277203
Energy: 1.8935154748997074
Energy: 1.6107713746716832
Energy: 1.739960571794815
Energy: 2.014382721056671
Energy: 1.4783121453139685
Energy: 1.661497568267834
Energy: 1.5606544426543096
Energy: 1.4009783018606998
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Energy: 1.7894492029335927
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Energy: 1.6445259540749388
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Energy: 1.6742209346269066
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Energy: 1.5823089670732138
Energy: 1.3821708463556281
Energy: 1.5855481399295532
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Energy: 1.555045278487335
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Energy: 1.763850944238868
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Energy: 1.6017307581937352
Energy: 1.4187588356202907
Energy: 1.4229560936373644
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Energy: 1.3948939434218215
Energy: 1.4177935073039953
Energy: 1.398084548785187
Energy: 1.4344327261152245
Energy: 1.6825745575792734
Energy: 1.5596287158951683
Energy: 1.4994098607145656
Energy: 1.5051576209701731
Energy: 1.4390003013884805
Energy: 1.3802511897877747
Energy: 1.4209455379138531
Energy: 1.3674969645650443
Energy: 1.419984091063638
Energy: 1.5208194232238879
Energy: 1.5180705605841662
Energy: 1.5640399277516484
Energy: 1.4977910089594304
Energy: 1.4401740615948808
Energy: 1.4436411679667283
Energy: 1.3919055081877576
Energy: 1.427135451362182
Energy: 1.509044523550529
Energy: 1.4513896842844183
Energy: 1.3915095163004287
Energy: 1.4681661078049075
Energy: 1.559580467670535
Energy: 1.724657718167602
Energy: 1.7530495074431467
Energy: 1.6013089341144437
Energy: 1.6033231816089188
Energy: 1.3968132233933428
Energy: 1.4536615582721486
Energy: 1.4556747920464241
Energy: 1.538519995944425
Energy: 1.4920658751027707
Energy: 1.4493218112337234
Energy: 1.4238660840755624
Energy: 1.7467293744342307
Energy: 1.5276456153294111
Energy: 1.4003083096407036
Energy: 1.6427238257903773

minimum gb energy = 1.3674969645650443 eV
minimum distance =  2.24892605696473 Angstroms
sigma value = 41


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

Energy: 2.9182954668210073
Energy: 2.128092488094437
Energy: 1.6118833253227745
Energy: 1.5275388981566687
Energy: 1.5429154420724136
Energy: 1.911387741695983
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Energy: 1.7043794943372437
Energy: 1.7916763124047328
Energy: 1.8194938545644257
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Energy: 1.5578295342479453
Energy: 1.40220621497201
Energy: 1.3603206665502385
Energy: 1.3951266352372476
Energy: 1.2651132892502055
Energy: 1.4837792163336694
Energy: 1.5080610490417978
Energy: 1.5159280763423528
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Energy: 1.5383602768107432
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Energy: 1.2154761139039094
Energy: 1.5119994660441811
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Energy: 1.5781089661523937
Energy: 1.7657348843095255
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Energy: 1.7412746357854614
Energy: 1.9387833515897082
Energy: 1.5595667778339672
Energy: 1.3179782298798008
Energy: 1.2827177383273531
Energy: 1.571941523160109
Energy: 1.7188490197670334
Energy: 1.7311431217800899
Energy: 1.8298252907080472
Energy: 1.823724115544401
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Energy: 1.3984552373505785
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Energy: 1.3962162543081011
Energy: 1.3702025925401078
Energy: 1.4408457464121078
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Energy: 1.6403803692433907
Energy: 1.7116009571748596
Energy: 1.6655559389674102
Energy: 1.486732671868856
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Energy: 1.2187385109948135
Energy: 1.5388841507349134
Energy: 1.4295675720784262
Energy: 1.5942294703639341
Energy: 1.4131162249670233
Energy: 2.0803064936569773
Energy: 1.7216946825976756
Energy: 1.5816044968525418
Energy: 1.3849083788181773
Energy: 1.2872130835261364
Energy: 2.02181983723641
Energy: 1.53884397096081
Energy: 1.5238867194406673
Energy: 1.6684327732220818
Energy: 1.7569518633892478
Energy: 1.7214511013085754
Energy: 1.4566229486689222
Energy: 1.9367685430936148
Energy: 1.8206758074205354
Energy: 1.297124315351171
Energy: 1.8052285496220444
Energy: 1.9176212687238705
Energy: 1.539307466945672
Energy: 1.7582152752256806
Energy: 1.7992421912932965
Energy: 1.7273357765770025
Energy: 1.546328174886807
Energy: 1.3518967222709057
Energy: 1.3846027767927915
Energy: 1.56114450886357
Energy: 1.7322559374333903
Energy: 1.5212741139077461
Energy: 1.7046823022753719
Energy: 1.4618171800919642
Energy: 1.7622650183957513
Energy: 1.5811695873760718
Energy: 1.3182937059254614
Energy: 1.377635036368209
Energy: 1.5995352422032227
Energy: 1.706062055639269
Energy: 1.3303010679155909
Energy: 1.4020915934679032
Energy: 1.3735427531559004
Energy: 1.524660324817452
Energy: 1.5133525437129922
Energy: 1.75746176784594
Energy: 1.6707470907555424
Energy: 1.5304475146003713
Energy: 1.3925730001298784
Energy: 1.3292676608551437
Energy: 1.380930261318673
Energy: 1.399012986700494
Energy: 1.332958076244368
Energy: 1.3616418359794142
Energy: 1.5101076086430074
Energy: 1.5942036541554976
Energy: 1.64120205190086
Energy: 1.5653867206823462
Energy: 1.6527919353437204
Energy: 1.3816282426630835
Energy: 1.4043624302633293
Energy: 1.399198283944951
Energy: 1.3176596721199239
Energy: 1.457572412405215
Energy: 1.5506030498970504
Energy: 1.5720430006549262
Energy: 1.518259807424388
Energy: 1.6674008432456633
Energy: 1.5359560737764635
Energy: 1.4072703989850468
Energy: 1.3977970610082835
Energy: 1.5959108972258276
Energy: 1.526999631546601
Energy: 1.510208193319612
Energy: 1.5974174185963395
Energy: 1.5377158674529237
Energy: 1.5253518172057492
Energy: 1.5410721427648795
Energy: 1.8152527485584273
Energy: 1.8091917094065553

minimum gb energy = 1.2154761139039094 eV
minimum distance =  2.23933802257171 Angstroms
sigma value = 185


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

Energy: 2.8149362815157346
Energy: 1.9282613053425885
Energy: 1.8684528335008905
Energy: 1.4022195003491011
Energy: 1.6250174698670548
Energy: 1.8507075914051718
Energy: 1.7630847911627463
Energy: 1.723506583307399
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Energy: 1.9079449309258132
Energy: 1.628284033733923
Energy: 1.6272964003390804
Energy: 1.9627838585989463
Energy: 2.2481114145501726
Energy: 1.7800997155859677
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Energy: 1.5727646676122504
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Energy: 1.5635063057678449
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Energy: 1.3201803541606036
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Energy: 1.7274914211336003
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Energy: 1.3254999940405883
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Energy: 1.3983006798417463
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Energy: 1.5607649884685526
Energy: 1.754407139279098
Energy: 1.8511031564032834
Energy: 1.6726271502697687
Energy: 1.517069654265079
Energy: 1.385407963565008
Energy: 1.3425945297351434
Energy: 1.4047321112523865
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Energy: 1.4386807762924378
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Energy: 1.6817940048211262
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Energy: 1.3867481131803672
Energy: 1.474019626645907
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Energy: 1.7516966958755167
Energy: 1.7654751413446477
Energy: 1.8418386812973122
Energy: 1.8149746610317985
Energy: 1.6525394400694728
Energy: 2.2869044980848994
Energy: 1.8803794486781298
Energy: 1.8418255415751437
Energy: 2.3108065340418142
Energy: 1.7554129327417853
Energy: 1.8667829398879596
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Energy: 1.708689591948287
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Energy: 1.8501747671665933
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Energy: 1.7403042546623504
Energy: 1.7029002177473584
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Energy: 1.5688948742067335
Energy: 1.5252861772923452
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Energy: 1.409806529644082
Energy: 1.4410397013510885
Energy: 1.4241801931128102
Energy: 1.511187275624523
Energy: 1.7677692151954625
Energy: 1.7902590460428978
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Energy: 1.5595609145159905
Energy: 1.4318611858367798
Energy: 1.3676302463913685
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Energy: 1.4644179892910183
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Energy: 1.6844475626424336
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Energy: 1.8092550700857146
Energy: 1.7441824559632175
Energy: 1.709675333467189
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Energy: 1.493615322082201
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Energy: 1.7463162194344617
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Energy: 1.503089154829423
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Energy: 1.7855509761651736
Energy: 1.79216167981377
Energy: 1.8621252459272488
Energy: 1.6756082558385532
Energy: 1.6861822176683265
Energy: 2.011541718560765
Energy: 1.95814088786592
Energy: 2.2485605323347118
Energy: 1.7802707517350982
Energy: 1.7800227547495318
Energy: 1.7143037931547733
Energy: 1.7056160078361664
Energy: 1.4844706398824739
Energy: 1.5503582757467071
Energy: 1.5201204259964496
Energy: 1.6405941764901077
Energy: 1.539377483308269
Energy: 1.8972778783640718
Energy: 1.7468035170224931
Energy: 1.8010467704008002
Energy: 1.7072024018936924
Energy: 1.6988257969951293
Energy: 1.6090062192766532
Energy: 1.5065849387769839
Energy: 1.4294359616230332
Energy: 1.33372746867542
Energy: 1.3646144121829404
Energy: 1.5425708919146885
Energy: 1.6238352484437635
Energy: 1.7087894413808014
Energy: 1.7694526402076267
Energy: 1.7907685634281052
Energy: 1.689706676264478
Energy: 1.5013270323514392
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Energy: 1.3645872138404513
Energy: 1.4288306973111147
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Energy: 1.4378510615101041
Energy: 1.8085391831227746
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Energy: 1.6505933110170719
Energy: 1.361842005692263
Energy: 1.5450262438640507
Energy: 1.4511543595526126
Energy: 1.4912467525704796
Energy: 1.7193099327875268
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Energy: 1.8226492294797354
Energy: 1.7795947961242782
Energy: 1.4899272122715888
Energy: 1.7609735543367149
Energy: 1.750981120174405
Energy: 1.7045711593087682
Energy: 1.6109577092715077
Energy: 1.6699392679954228
Energy: 1.6740204512162642
Energy: 1.586078188411978
Energy: 1.9135335693372193
Energy: 1.786175958814039
Energy: 2.0001167800124326
Energy: 1.7556771027775346
Energy: 1.7240580338248104
Energy: 1.7049183747961711
Energy: 1.5726899143351631
Energy: 1.5491682193059275
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Energy: 1.3076289961610221
Energy: 1.364002473149022
Energy: 1.5093975621242481
Energy: 1.5790790106559318
Energy: 1.7371036777082098
Energy: 1.719714816334088
Energy: 1.778752176953245
Energy: 1.6566595544661245
Energy: 1.5209060787266289
Energy: 1.4391060664007067
Energy: 1.320315052317614
Energy: 1.3766194886885044
Energy: 1.4764823609040676
Energy: 1.523395206038455
Energy: 1.7251721655236196
Energy: 1.7153243643851332
Energy: 1.7845235322489963
Energy: 1.6855220988987902
Energy: 1.7098040499429215
Energy: 1.6041312570489774
Energy: 1.392454348768111
Energy: 1.373461551078983
Energy: 1.419041305094579
Energy: 1.4407813789869774
Energy: 1.7917496487345899
Energy: 1.75709787381242
Energy: 1.7344224688243104
Energy: 1.8545886224677484
Energy: 1.7665142832745935
Energy: 1.8460373221283728
Energy: 1.8008370462956247
Energy: 1.5263988946521048
Energy: 1.5261231367470651
Energy: 1.7745232995811189
Energy: 1.700906357628435
Energy: 1.78374475352934
Energy: 1.6875975292979866
Energy: 1.691326395346679
Energy: 1.6258326999227162
Energy: 1.9458910052287828
Energy: 1.878828203718014
Energy: 2.3105513093873964
Energy: 1.7754475873687188
Energy: 1.7180938303077853
Energy: 1.7076724832858658
Energy: 1.7394858478185053
Energy: 1.453059641599934
Energy: 1.4908841867288531
Energy: 1.500970806824932
Energy: 1.5495364652948809
Energy: 1.559006829105962
Energy: 1.6493414562160016
Energy: 1.7949819727800336
Energy: 1.7176594223636972
Energy: 1.939306939144219
Energy: 1.5544838819988018
Energy: 1.5155244044162595
Energy: 1.4087614386971845
Energy: 1.3439973664748477
Energy: 1.346736175166925
Energy: 1.4311908288196156
Energy: 1.4792163337178958
Energy: 1.833187911597312
Energy: 1.80245114149535
Energy: 1.7571728867488026
Energy: 1.4839997628109778
Energy: 1.6560198632965009
Energy: 1.4822459984975134
Energy: 1.2913762516334972
Energy: 1.3454918633948483
Energy: 1.435473829546668
Energy: 1.4840249529878153
Energy: 1.4783682295882696
Energy: 1.703308628247386
Energy: 1.7334159231995123
Energy: 1.7137591617810943
Energy: 1.6687294908907893
Energy: 1.6343330646251246
Energy: 1.5932886926604852
Energy: 1.4146524626003214
Energy: 1.4704008555225343
Energy: 1.54567518410821
Energy: 1.7983774701394115
Energy: 1.776173440162149
Energy: 1.8118972498418668
Energy: 1.9137877673936208

minimum gb energy = 1.2913762516334972 eV
minimum distance =  2.22507238875601 Angstroms
sigma value = 33


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

Energy: 2.3706413576836036
Energy: 1.8483066350150859
Energy: 1.5016616632868833
Energy: 1.467410182299426
Energy: 1.573931827852653
Energy: 1.5939458248534633
Energy: 1.741218923504189
Energy: 1.7168360366615696
Energy: 1.448926024893819
Energy: 1.6224538371933785
Energy: 1.3648871048784121
Energy: 1.7503293547203553
Energy: 1.6344833969194361
Energy: 2.051153389809769
Energy: 1.4852910516880384
Energy: 1.6265720655280522
Energy: 1.674060551250299
Energy: 1.7106624757333437
Energy: 1.4820356799600005
Energy: 1.3473260731492205
Energy: 1.2796164128933487
Energy: 1.513756591753837
Energy: 1.8035879523102314
Energy: 1.54309703837063
Energy: 1.6391384557461834
Energy: 1.4933079217915548
Energy: 1.6430045938435522
Energy: 1.5876485496292359
Energy: 1.279730463851056
Energy: 1.3704733976573757
Energy: 1.277205671827694
Energy: 1.2865989816436698
Energy: 1.7113749466281147
Energy: 1.5809320892237229
Energy: 1.4715680010315195
Energy: 1.5919322554161175
Energy: 1.7145569238212957
Energy: 1.6525781565010151
Energy: 1.3043240170652621
Energy: 1.3696478992502477
Energy: 1.3174122625795144
Energy: 1.667809689021036
Energy: 1.6578141819958623
Energy: 1.5881693767946707
Energy: 1.6166665305835142
Energy: 1.647868639612784
Energy: 1.8267245732491848
Energy: 1.8402839211578816
Energy: 1.3489161273784638
Energy: 1.347046446687522
Energy: 1.6381097928540516
Energy: 1.6372714181765
Energy: 1.6408457752473335
Energy: 1.672419649247917
Energy: 1.8228639024027076
Energy: 1.66045644737001
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Energy: 1.6591395051169233
Energy: 1.609843440496897
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Energy: 1.5172465367673618
Energy: 1.6705485645987304
Energy: 1.546031630075411
Energy: 1.5016000045833366
Energy: 1.4690266153584957
Energy: 1.746425151785935
Energy: 1.6263500589113755
Energy: 1.5078391939725424
Energy: 1.6946573695878941
Energy: 1.686545401931052
Energy: 1.9499023555478712
Energy: 1.75272733125661
Energy: 1.4759119792012252
Energy: 1.4951321153953583
Energy: 1.3243189942325078
Energy: 1.4134466253370639
Energy: 1.4264372182129728
Energy: 1.3911578449787096
Energy: 1.8139738644891803
Energy: 1.7275688292366926
Energy: 1.7831346592537345
Energy: 1.7844952018722688
Energy: 1.3039289758174712
Energy: 1.4547201498443298
Energy: 1.3718043645212072
Energy: 1.38198040507439
Energy: 1.4487733779651704
Energy: 1.5081744925907534
Energy: 1.285996028688029
Energy: 1.7812225583928893
Energy: 1.4993506183845509
Energy: 1.5982826941311647
Energy: 1.2486543661574618
Energy: 1.4168165991054045
Energy: 1.7062437169140963
Energy: 1.4719235509708664
Energy: 1.4798134492329906
Energy: 1.4893884382329563
Energy: 1.4798900272613393
Energy: 1.7187106625392365
Energy: 1.7929674711584163
Energy: 1.8450065190259592
Energy: 1.727496331092746
Energy: 1.8447127051925463
Energy: 1.4313138478394596
Energy: 1.8326487425954485
Energy: 1.5720060837480359
Energy: 1.7353302660193783
Energy: 1.7389689042598961
Energy: 1.6673152027799227
Energy: 1.4708169279779368
Energy: 1.4253933342492238
Energy: 1.3821594690739132
Energy: 1.7638208452952677
Energy: 1.653673492580549
Energy: 1.8133486027678485
Energy: 1.7620399553728179
Energy: 1.6443196701208287
Energy: 1.6582194885249115
Energy: 1.5918600663738727
Energy: 1.2858603592598215
Energy: 1.3182577189163354
Energy: 1.383974891154821
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Energy: 1.936776198135576
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Energy: 1.9093266642041693
Energy: 1.4981968644895547
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Energy: 1.2783397204296112
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Energy: 1.7949709429014442
Energy: 1.28551789723667
Energy: 1.3684244019430984
Energy: 1.4269087030907441
Energy: 1.4056258032016193
Energy: 1.419927075870329
Energy: 1.467902835169879
Energy: 1.4978406820325472
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Energy: 1.748202339025112
Energy: 1.4795588613350634
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Energy: 1.7450657761502757
Energy: 1.7188031208520216
Energy: 1.4303022131634247
Energy: 1.6434522418246054

minimum gb energy = 1.2486543661574618 eV
minimum distance =  2.24486944488954 Angstroms
sigma value = 219


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

Energy: 2.3680069457120787
Energy: 1.380353821019128
Energy: 1.3734621307660422
Energy: 1.4064596721723188
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Energy: 1.3388066528407983
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Energy: 1.3194696630355085
Energy: 1.561415267654381
Energy: 1.3522940016364065
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Energy: 1.2797816970532916
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Energy: 1.3401633945851996
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Energy: 1.3121695426384956
Energy: 1.3870877905053938
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Energy: 1.3694568008369745
Energy: 1.280517600249919
Energy: 1.2807280923565787
Energy: 1.417524712519098
Energy: 1.349187360483658

minimum gb energy = 1.2797816970532916 eV
minimum distance =  2.30440001246181 Angstroms
sigma value = 15


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

Energy: 2.1249789859125747
Energy: 1.5871222120113553
Energy: 1.7933678069284746
Energy: 1.7543925311782669
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Energy: 1.673172350381131
Energy: 1.5483552005807386
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Energy: 1.7997098515786152
Energy: 1.6426726703323975
Energy: 1.6092120508755325
Energy: 1.7948888488629886
Energy: 1.4355960229910263
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Energy: 1.4106550313066926
Energy: 1.5408216615203696
Energy: 1.789268525271311
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minimum gb energy = 1.406782533175177 eV
minimum distance =  2.25783821061962 Angstroms
sigma value = 293


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

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Energy: 1.5082611836859232
Energy: 1.651147113771704
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Energy: 1.6439749556895271
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Energy: 1.6268314878866061
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Energy: 1.5565845132470997
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Energy: 1.6620947344450074
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Energy: 1.9475600675930276
Energy: 1.62600657469731
Energy: 1.5477522063283076
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Energy: 1.5575253821523032
Energy: 1.5555043035463076
Energy: 1.58772742796328
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Energy: 1.771482726081051
Energy: 1.513922843923925
Energy: 1.8720840962700425
Energy: 1.5526191908178748
Energy: 1.5969523172726683
Energy: 1.5687472285657087
Energy: 1.5588058464461414
Energy: 1.5448298695574454
Energy: 1.57265720177774
Energy: 1.6659821132502914
Energy: 1.4756187051268594
Energy: 1.6358602554703636
Energy: 1.781711169883864
Energy: 1.5763642441444925
Energy: 1.6047810854652953
Energy: 1.5669841058880478
Energy: 1.5615431617214595
Energy: 1.5385205021741302
Energy: 1.6147650928327377
Energy: 1.6164853234746333
Energy: 1.93277178640544
Energy: 1.7531390737192687
Energy: 1.8723246855211535
Energy: 1.5821313197808557
Energy: 1.5605063754304964
Energy: 1.7356828325002296
Energy: 1.6677410252363254
Energy: 1.637934139802473
Energy: 1.84331561031018
Energy: 1.5271466509646163
Energy: 1.611384040477335
Energy: 1.840235597702522
Energy: 1.6824595315440132
Energy: 2.016322343738763
Energy: 1.7737181062914518
Energy: 1.7449356702008723
Energy: 1.7251874489457895
Energy: 1.6695425062491238
Energy: 1.4020485937152993
Energy: 1.5166990378050598
Energy: 1.4586172217630458
Energy: 1.4848316884974502
Energy: 1.5582729745824042
Energy: 1.570757444968971
Energy: 1.8117560207603058
Energy: 1.6469761892694796
Energy: 1.6593000896582424
Energy: 1.5998444514231633
Energy: 1.3916284601992857
Energy: 1.5093569290596962
Energy: 1.4329421845681751
Energy: 1.6579899051502134
Energy: 1.5849548303374108
Energy: 1.5702949413361904
Energy: 1.6974009951536606
Energy: 1.4806377196979088
Energy: 1.6346602984481005
Energy: 1.6422737781865562
Energy: 1.4519298442281035
Energy: 1.476673050750989
Energy: 1.5674215536118765
Energy: 1.8295905116424078
Energy: 1.6438181190954155
Energy: 1.7980976968248346
Energy: 1.7894831773421185

minimum gb energy = 1.3916284601992857 eV
minimum distance =  2.21724125470976 Angstroms
sigma value = 293


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

Energy: 1.7780271150589926
Energy: 1.3642334219424757
Energy: 1.3686926099917607
Energy: 1.881901285489245
Energy: 1.3277616322144934
Energy: 1.5057126974390387
Energy: 1.3885814645163392
Energy: 1.4667046336014675
Energy: 1.4288410600221668
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Energy: 1.3859973827758656
Energy: 1.5762480573849817
Energy: 1.3632069145675156
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Energy: 1.449855305441799
Energy: 1.542871264776422
Energy: 1.3259520118812995
Energy: 1.4539749945921858
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Energy: 1.3680193779820418
Energy: 1.638354654270834
Energy: 1.3607766258422591
Energy: 1.450274587345871
Energy: 1.4556913933937545
Energy: 1.4670871003289663
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Energy: 1.3273664323309973
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Energy: 1.6129268260820673
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Energy: 1.4066742617983732
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Energy: 1.4288574700050363
Energy: 1.3714376090162257
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Energy: 1.3851564077117262
Energy: 1.3270188256801358
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Energy: 1.477566251711706
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Energy: 1.3913514852427524
Energy: 1.3669370497493405
Energy: 1.423544056872862
Energy: 1.4700211892930575
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Energy: 1.321822713271105
Energy: 1.3596908414579354
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Energy: 1.5053738325185058
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Energy: 1.4224669003701702
Energy: 1.5171196397369808
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Energy: 1.4380421655664426
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Energy: 1.8834796583784021
Energy: 1.3638594889525382
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Energy: 1.428394900370233
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Energy: 1.6412209844790318
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Energy: 1.3898598205341837
Energy: 1.324393451215223
Energy: 1.1784723253388907
Energy: 1.4007010010096088
Energy: 1.3309563939921965
Energy: 1.5872785916757723
Energy: 1.5174748176307775
Energy: 1.448270968649252
Energy: 1.6607100101490808
Energy: 1.4451274872476974
Energy: 1.5038370676751922
Energy: 1.5928380078204998
Energy: 1.3936022555619918
Energy: 1.3840725281792137
Energy: 1.5433165899976486
Energy: 1.5178692487774783
Energy: 1.61530412300631
Energy: 1.328253959063353
Energy: 1.3801977548850746
Energy: 1.6557084175104433
Energy: 1.3718875646937616
Energy: 1.4886875004011062
Energy: 1.4023797026527292
Energy: 1.4491210134658612
Energy: 1.4215614187211856
Energy: 1.3864935082005114
Energy: 1.456688485362062
Energy: 1.4835751756943458
Energy: 1.3617292214114673
Energy: 1.5715942964130094
Energy: 1.7039846407229247
Energy: 1.3620676879286762
Energy: 1.4884308911665607
Energy: 1.380327902458904
Energy: 1.4514797816499307
Energy: 1.455301296066982
Energy: 1.3634850425252532
Energy: 1.478962854489928
Energy: 1.3639983868416499
Energy: 1.3682677645503225
Energy: 1.8404897298221488
Energy: 1.3713594106804656
Energy: 1.5048891162555162
Energy: 1.5008090618930587
Energy: 1.4100916179859742
Energy: 1.3872344632887001
Energy: 1.3266267746117468
Energy: 1.5174766034341822
Energy: 1.5172992695691965
Energy: 1.3284737878813433
Energy: 1.3871292842031546
Energy: 1.4501472672366171
Energy: 1.3242504923812033
Energy: 1.4777319017400858
Energy: 1.4283336765210113
Energy: 1.542954001586367
Energy: 1.5433416836617122
Energy: 1.6148417803244859
Energy: 1.4783363644575838
Energy: 1.4837542515777478
Energy: 1.3291420998402632
Energy: 1.8274503898496586
Energy: 1.3630523229034015
Energy: 1.487618110228324
Energy: 1.4969886046095529
Energy: 1.3238300290385794
Energy: 1.3828802442483796
Energy: 1.3622451958241966
Energy: 1.485757804746843
Energy: 1.6142671463109484
Energy: 1.3699650711159679
Energy: 1.7064034577186984
Energy: 1.6404726705550137
Energy: 1.3628371775480728
Energy: 1.4795830617983883
Energy: 1.410770258964887
Energy: 1.3973857801452916
Energy: 1.3621833718763288
Energy: 1.4801636986830569

minimum gb energy = 1.17073100255401 eV
minimum distance =  2.31026329169667 Angstroms
sigma value = 15


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

Energy: 2.442499185456172
Energy: 1.4551815202744518
Energy: 1.4528676621951
Energy: 1.6743241404593712
Energy: 1.725584166751814
Energy: 1.8558276226885313
Energy: 1.7161675732728316
Energy: 1.621448084024122
Energy: 1.4913338863992975
Energy: 1.821241529447504
Energy: 1.6420938157837592
Energy: 1.662028145965394
Energy: 1.7123016786756438
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Energy: 1.4464873239073697
Energy: 1.4742126305250625
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Energy: 1.736417775445079
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Energy: 1.675383695293514
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Energy: 1.7048002716589674
Energy: 1.8595760424844505
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Energy: 1.6346383653253709
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Energy: 1.5874683418876072
Energy: 1.4360527610971925
Energy: 1.8504775514782685
Energy: 1.472326044196691
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Energy: 1.513285702967869
Energy: 1.687498256436156
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Energy: 1.6017316575580438
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Energy: 1.573378345022591
Energy: 1.611019831043181
Energy: 1.8094996812883544
Energy: 1.7401916550001968
Energy: 1.5399938623563834
Energy: 1.4532567300454264
Energy: 1.514665886460035
Energy: 1.6346674910044217
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Energy: 1.7791505043180795
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Energy: 1.6444322914111666
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Energy: 1.6835265032844695
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Energy: 1.619722618521445
Energy: 1.626361173118827
Energy: 1.628552886920377
Energy: 1.7750559202590666
Energy: 1.70653175863248
Energy: 1.6626869580732202
Energy: 1.5729566582823817
Energy: 1.4488373799718177
Energy: 1.680374615888172
Energy: 1.7283195446351214
Energy: 1.6394987916469361
Energy: 1.6851390749615789
Energy: 1.668213945281594
Energy: 1.440606344791798
Energy: 1.8824910530301069
Energy: 1.5765714471320682
Energy: 1.4673275080987414
Energy: 1.9476011258499426
Energy: 1.6224929353803135
Energy: 1.6413720642304068
Energy: 1.4578029544293545
Energy: 1.4094873795264913
Energy: 1.4419110957238277
Energy: 1.7236726310966783
Energy: 1.5049698872263437
Energy: 1.6379508516333694
Energy: 1.7040288666250403
Energy: 1.7063448752774473
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Energy: 1.4698080484590084
Energy: 1.4186882250878097
Energy: 1.4659831307487587
Energy: 1.6381735951165095
Energy: 1.6672400878798705
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Energy: 1.453292889881272
Energy: 1.3949626787406673
Energy: 1.3857816307909068
Energy: 1.4877995967014852
Energy: 1.4460369536448405
Energy: 1.6466378952460408
Energy: 1.723046386524277
Energy: 1.7854613130662795
Energy: 1.751581108421781
Energy: 1.725069082515972
Energy: 1.4771973213840937
Energy: 1.6333319186562312
Energy: 1.405924914308216
Energy: 1.8516309779865758
Energy: 1.728212326067675
Energy: 1.6688910643621309
Energy: 1.4558024816925956
Energy: 1.4521128281791809
Energy: 1.5651410161541695
Energy: 1.7419288787197653
Energy: 1.7253237620113788
Energy: 1.6930076834352994
Energy: 1.6507775941037153
Energy: 1.4802912368452592
Energy: 1.4112436632232948
Energy: 1.3993535132634336
Energy: 1.4798831544694262
Energy: 1.7097978915840562
Energy: 1.7122859041202323
Energy: 1.8827405557440937
Energy: 1.6148418810829843
Energy: 1.6739733978750024
Energy: 1.6686922363759864
Energy: 1.5092893101601084
Energy: 1.4836582932789004
Energy: 1.4365976483130982
Energy: 1.467510553616359
Energy: 1.507958998837785
Energy: 1.6578186133680608
Energy: 1.7612670141025417
Energy: 1.7484544026277056
Energy: 1.702365272575248
Energy: 1.4602483402871258
Energy: 1.453604830820649
Energy: 1.495187139210676
Energy: 1.6958230276230684
Energy: 1.7739441686802027
Energy: 1.7054079938094489
Energy: 1.5850854037870024
Energy: 1.5420178251068832
Energy: 1.8112680840239916
Energy: 1.6081381312299725
Energy: 1.6220488345450297
Energy: 1.6125977290580142
Energy: 1.555173597698384
Energy: 1.7383244218374723
Energy: 1.508530914860888
Energy: 1.4502928881982138
Energy: 1.4366988593866623
Energy: 1.7192797367639678
Energy: 1.7694589967205276
Energy: 1.5443195855899248
Energy: 1.5416506161357912
Energy: 1.5736582974446802
Energy: 1.5689502633354913
Energy: 1.6003167911086729
Energy: 1.5208054943634417
Energy: 1.6745120535903604
Energy: 1.7930189546400457
Energy: 1.6506932083298076
Energy: 1.5994579771880946
Energy: 1.6352067251931173
Energy: 1.508477538280127
Energy: 1.6717023967028375
Energy: 1.5541332286175333
Energy: 1.5995062463073912
Energy: 1.567363923229431
Energy: 1.574361981387744
Energy: 1.4354678247857426
Energy: 1.7469943037283922
Energy: 1.4473466096795653
Energy: 1.489249123049556
Energy: 1.8499875229991707
Energy: 1.7293787309932906
Energy: 1.600930318915415
Energy: 1.654265033482558
Energy: 1.602065528445957
Energy: 1.6035499582766894
Energy: 1.8697177287028561
Energy: 1.5506078964225871
Energy: 1.5622566484734672
Energy: 1.7600547805596594
Energy: 1.4562168557569166
Energy: 1.434993698300075
Energy: 1.4891902215948085
Energy: 1.4805718241369072
Energy: 1.5117514324961432
Energy: 1.594809701070445
Energy: 1.6165479298429146
Energy: 1.5468099873825734
Energy: 1.6328649439871255
Energy: 1.658088661004804
Energy: 1.4463299553404643
Energy: 1.4085326801686144
Energy: 1.4262466202710817
Energy: 1.5066212350804247
Energy: 1.6110675058196071
Energy: 1.6915775131829962
Energy: 1.691706758907513
Energy: 1.8927397266124064
Energy: 1.7680977147082102
Energy: 1.6815476454831535
Energy: 1.5994772188592195
Energy: 1.628391530688637
Energy: 1.4011242437478681
Energy: 1.871894408159627
Energy: 1.6920310384910249
Energy: 1.6639881220451263
Energy: 1.4930877804570803
Energy: 1.5705402692856945

minimum gb energy = 1.3746381338481442 eV
minimum distance =  2.25913955889794 Angstroms
sigma value = 437


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

Energy: 1.8239867914325183
Energy: 1.4154863990173425
Energy: 1.4753933506120505
Energy: 1.442391751734663
Energy: 1.635288578955722
Energy: 1.7289361546133484
Energy: 1.5309565489298484
Energy: 1.5272368466149746
Energy: 1.59273770397929
Energy: 1.6571592338002419
Energy: 1.7845298702413415
Energy: 1.4232219439716525
Energy: 1.5459482872803498
Energy: 1.725272421683801
Energy: 1.4043706377750957
Energy: 1.4532859004359058
Energy: 1.4236742750372045
Energy: 1.4209894730211798
Energy: 1.4416894198882864
Energy: 1.6980096150463226
Energy: 1.5666144104947646
Energy: 1.4580334563434347
Energy: 1.7044755159620983
Energy: 1.6437175846872216
Energy: 1.4186612160827023
Energy: 1.4529581668156806
Energy: 1.4663720508699611
Energy: 1.4170961244200813
Energy: 1.5581045792789265
Energy: 1.68041311380086
Energy: 1.5803039748450345
Energy: 1.56796352640927
Energy: 1.9491570382329664
Energy: 1.4276385164249756
Energy: 1.439664983625557
Energy: 1.3981186280547255
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Energy: 1.6891255544768646
Energy: 1.61440040176025
Energy: 1.6260870520689286
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Energy: 1.6778067363221716
Energy: 1.5480868142030502
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Energy: 1.6779538558552647
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Energy: 1.6016830805888644
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Energy: 1.5482963414520026
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Energy: 1.5553306554904573
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Energy: 1.6885972519823955
Energy: 1.6315755272298094
Energy: 1.48881179528448
Energy: 1.6606475568465138
Energy: 1.5557102081208243
Energy: 1.4991176154597021
Energy: 1.580379395002356
Energy: 1.5798076973843347
Energy: 1.5819666936541341
Energy: 1.4240415426446789
Energy: 1.4272076329011816
Energy: 1.7190883294377806
Energy: 1.5023518437948427
Energy: 1.551731094975409
Energy: 1.7256863513804601
Energy: 1.4503176190601588
Energy: 1.450747194597469
Energy: 1.4662318462641113
Energy: 1.567181654043942
Energy: 1.761966036273412
Energy: 1.8418905469580995
Energy: 1.4138740307436843
Energy: 1.5456767105312146
Energy: 1.6662517222443984
Energy: 1.4652830818314002
Energy: 1.4271763176344767
Energy: 1.4247262112147197
Energy: 1.4650575552495697
Energy: 1.560209285052271
Energy: 1.7171285556431575
Energy: 1.5661568192640987
Energy: 1.4220125102224075
Energy: 1.6923276999411476
Energy: 1.5469088932009256
Energy: 1.4854649567890152
Energy: 1.4768964649710876
Energy: 1.5114122292603858
Energy: 1.402180817794255
Energy: 1.5318170943469391
Energy: 1.7418694585106174
Energy: 1.6832781620583084
Energy: 1.4664805774650609
Energy: 1.7362809124127072
Energy: 1.6491286911344873
Energy: 1.452471723077864
Energy: 1.4292555699489211
Energy: 1.7532428542565595
Energy: 1.7497700205983169
Energy: 1.737649032636148
Energy: 1.4896064890714014
Energy: 1.4173569064730025
Energy: 1.6806049762971829
Energy: 1.5499334452089992
Energy: 1.567967507239282
Energy: 1.5916159274332558
Energy: 1.574333047974104
Energy: 1.4844456066177163
Energy: 1.5176790109246416
Energy: 1.535080374221089
Energy: 1.415972299378636
Energy: 1.5773382547141388
Energy: 1.7047709406637523
Energy: 1.4099711670840442
Energy: 1.6289350480377884
Energy: 1.648641215327343
Energy: 1.5107143094060371
Energy: 1.4378864685002843
Energy: 1.5761657784570595
Energy: 1.5569740828018224
Energy: 1.4214360801846646
Energy: 1.427337734953236
Energy: 1.4749918157782125
Energy: 1.4644727141272753
Energy: 1.442012461376819
Energy: 1.6354505582822465
Energy: 1.6647245017307748
Energy: 1.5486321603326345
Energy: 1.5559320022726735
Energy: 1.5100878782543496
Energy: 1.4261871682932972

minimum gb energy = 1.3981186280547255 eV
minimum distance =  2.26367067772761 Angstroms
sigma value = 33