Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000994205475
cohesive_energy=4.414156524791696
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.78964732194434e-19, 2.7050188982475597e-19, 3.3921283695047995e-19, 3.9445909164406796e-19, 4.404383566866e-19, 4.79493014316984e-19, 5.13098669215134e-19, 5.42258283953934e-19, 5.67694440195318e-19, 5.89947071464944e-19, 6.094327436876519e-19, 6.264863117799479e-19, 6.413753392397099e-19, 6.543209264424299e-19, 6.65508925877652e-19, 6.75094748678874e-19, 6.8321618203662e-19, 6.89986980491904e-19, 6.95508081172668e-19, 6.9987080814704995e-19, 7.03150463716848e-19, 7.054207480072259e-19, 7.06740941553642e-19, 7.0717032489155395e-19, 7.067121023742299e-19, 7.05233293341048e-19, 7.025656692454379e-19, 6.9850094712498e-19, 6.92798800484574e-19, 6.851740418833679e-19, 6.752806011684179e-19, 6.6270511676815195e-19, 6.4695091392603005e-19, 6.274107676977659e-19, 6.03341268125184e-19, 5.73829174526904e-19, 5.377433501993219e-19, 4.936626644680799e-19, 4.39794281679732e-19, 3.7385189577756e-19, 2.92884297401736e-19, 1.9303985392412399e-19, 6.92056992703032e-20, -8.54935871492106e-20, -2.8048505243121e-19, -5.2895060483193e-19, -8.497848736137959e-19, -1.27081446255612e-18]
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: -0.0364522165523 eV

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

Energy: 0.0203135022967543
Energy: 0.16547542236231688
Energy: 0.16674210939144707
Energy: 0.16609105194786367
Energy: 0.025717038428865784
Energy: 0.022270277610871483
Energy: 0.1648486727814091
Energy: 0.16713744173135792
Energy: 0.16553809920302717
Energy: 0.024539807788571805
Energy: 0.1646807257670829
Energy: 0.16458057063444057
Energy: 0.1656712125868923
Energy: 0.16707481110778893
Energy: 0.1671025806720438
Energy: 0.1652665691258935
Energy: 0.164817741884461
Energy: 0.16513430788538178
Energy: 0.16664600816115904
Energy: 0.16713808794261897
Energy: 0.16659463098178956
Energy: 0.02593631754220799
Energy: 0.02076033689405634
Energy: 0.16507940660791917
Energy: 0.1659123872185965
Energy: 0.16712394131758426
Energy: 0.02437147362324251
Energy: 0.02083047732611685
Energy: 0.16468554852807718
Energy: 0.1668892843768067
Energy: 0.1659644449383283
Energy: 0.022510974741920802
Energy: 0.022031826045840294
Energy: 0.16433935930699023
Energy: 0.16446407501089225
Energy: 0.16648301890346356
Energy: 0.021909203558079484
Energy: 0.021360968860234218
Energy: 0.16399336836040862
Energy: 0.16435911292175295
Energy: 0.1654169905985318
Energy: 0.16540583003667036
Energy: 0.16691957716668102
Energy: 0.022553177238964727
Energy: 0.021270305166940503
Energy: 0.16480364581516238
Energy: 0.16651662456978242
Energy: 0.16698332583925904
Energy: 0.024332589226642103
Energy: 0.16426280324640197
Energy: 0.16420792673097712
Energy: 0.16504061763708452
Energy: 0.16623610879960574
Energy: 0.02179890958925277
Energy: 0.02130264681802896
Energy: 0.16457090509593533
Energy: 0.1648017047081519
Energy: 0.1670012538670477
Energy: 0.02198237620039283
Energy: 0.0211489147685091
Energy: 0.02109941708902602
Energy: 0.16769583503966806
Energy: 0.16568226654817764
Energy: 0.1672471410855371
Energy: 0.16826382140925863
Energy: 0.021255897160775306
Energy: 0.16793979599099623
Energy: 0.1652668420308609
Energy: 0.16862700749849643
Energy: 0.16809097294076236

minimum gb energy = 0.0203135022967543 eV
minimum distance =  2.45616838004613 Angstroms
sigma value = 3


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

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Energy: 1.179122023062811
Energy: 1.1823009497566652
Energy: 1.1806272083664975
Energy: 1.1717853110959597
Energy: 1.3260136078540723
Energy: 1.1789298277823221
Energy: 1.1831108990559212
Energy: 1.182022390949338
Energy: 1.1720705222963392
Energy: 1.1649488222945743
Energy: 1.3516509783125057
Energy: 1.1814489394159595
Energy: 1.0401013714034184
Energy: 1.102799232717382
Energy: 1.185664711120582
Energy: 1.3926500888263984
Energy: 1.182254653640762
Energy: 1.0376674414873504
Energy: 1.1908296931664564
Energy: 1.1655783311312915
Energy: 1.408928518369715
Energy: 1.0028429699883328
Energy: 1.1880773801907125
Energy: 1.2418077813404687
Energy: 1.1659914959658473
Energy: 1.0846026532658266
Energy: 1.0029977224628555
Energy: 1.1893037704119116
Energy: 1.2438495707612223
Energy: 1.1664405206811856
Energy: 1.1865059189150262
Energy: 1.2416112224794524
Energy: 1.162438893211647
Energy: 1.244354960911664
Energy: 1.1679944041112744
Energy: 1.1838328633582853
Energy: 1.0035911089019092
Energy: 1.163474257355851
Energy: 1.2412194625590205
Energy: 1.2800661321961688
Energy: 1.1775679384389561
Energy: 1.2953226417014423
Energy: 1.1259625927559938
Energy: 1.061490476497843
Energy: 1.278651779786818
Energy: 1.174706253224008
Energy: 1.2945252366035167
Energy: 1.373192199869062
Energy: 1.1185419566188426
Energy: 1.1752019703558132
Energy: 1.1745578065592657
Energy: 1.294550420819893
Energy: 1.0576068698556322
Energy: 1.3817731897446537
Energy: 1.1746637207220212
Energy: 1.174263893947893
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Energy: 1.0579578144873678
Energy: 1.3795260966213276
Energy: 1.2754133196501292
Energy: 1.2955949596086807
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Energy: 1.0584629377311714
Energy: 1.2805211208636706
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Energy: 1.3388622570824478
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Energy: 1.2788483175494172
Energy: 1.3320421149404784
Energy: 1.2243826869945968
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Energy: 1.2610442065057035
Energy: 1.2249743140215588
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Energy: 1.2232585526022703
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Energy: 1.2742375662688277
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Energy: 1.0555975211089124
Energy: 1.0575862174118422
Energy: 1.2744949220364878
Energy: 1.218496650535781
Energy: 1.3305930401624522
Energy: 1.7159240343714317
Energy: 1.2725039631806105
Energy: 1.218945704478983
Energy: 1.220139237236225
Energy: 1.216057045011693
Energy: 1.7131863457614527
Energy: 1.2163127123464703
Energy: 1.2203565685387798
Energy: 1.2188004071170055
Energy: 1.2162326898110933
Energy: 1.056086308757898
Energy: 1.3914421366791487
Energy: 1.2236010331062053
Energy: 1.2796650915256
Energy: 1.0569459077384997
Energy: 1.0568231987826635
Energy: 1.275573112275166
Energy: 1.2211904110382212
Energy: 1.280368823875708
Energy: 1.0581557647502227
Energy: 1.0602160442465534
Energy: 1.4179109010461126
Energy: 1.0030666543841091
Energy: 1.1226669021443703
Energy: 1.1085037529234394
Energy: 1.0567499907000053
Energy: 0.9995660538919485
Energy: 1.0042412775770573
Energy: 1.0983349851251176
Energy: 1.0574884451165694
Energy: 1.1254680164211284
Energy: 1.0071031298648805
Energy: 1.0022386096375484
Energy: 1.055812549462173
Energy: 1.172960228471101
Energy: 1.1253966826760982
Energy: 1.0060027649900276
Energy: 1.0024271534263658
Energy: 1.0554408971299958
Energy: 1.173445768036202
Energy: 1.2898694846092376
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Energy: 1.2906258453991615
Energy: 1.3406060793021954
Energy: 1.0613606870599088
Energy: 1.407239483027985
Energy: 1.3573168745229767
Energy: 1.290259251795629
Energy: 1.1161424342021062
Energy: 1.062007473822676
Energy: 1.175380785955167
Energy: 1.3036816685454353
Energy: 1.2906819270105168
Energy: 1.057932430379466
Energy: 1.3447350590699059
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Energy: 1.2998800838474827
Energy: 1.2903544484454006
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Energy: 1.291908194717347
Energy: 1.276076406086949
Energy: 1.3336043437019605
Energy: 1.4198592764516298
Energy: 1.058077073750621
Energy: 1.2809503064534404
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Energy: 1.3960006875008044
Energy: 1.3235083155866607
Energy: 1.0588403985368493
Energy: 1.2797505635283501
Energy: 1.3293755664102336
Energy: 1.2245414670892198
Energy: 1.126359945360867
Energy: 1.0750228904097834
Energy: 1.2251619136126608
Energy: 1.2228500084221114
Energy: 1.225337166508792
Energy: 1.171434155418338
Energy: 1.0754396415463698
Energy: 1.2234374659711804
Energy: 1.340399838632368
Energy: 1.0691333641345167
Energy: 1.0588127627272583
Energy: 1.1588782036226846
Energy: 1.2233718100962354
Energy: 1.3443249364364793
Energy: 1.0700814810705015
Energy: 1.0591186209812424
Energy: 1.1617011982152496
Energy: 1.2239557758840145
Energy: 1.0734432478408198
Energy: 1.0946744843799294
Energy: 1.058147996823794
Energy: 1.120980924591275
Energy: 0.9980019704535552
Energy: 1.0744234742167458
Energy: 1.097003215431698
Energy: 1.0599496398575778
Energy: 1.092021727150822
Energy: 1.0082959928003752
Energy: 1.1765852468108537
Energy: 1.0609023693066297
Energy: 1.126381844124234
Energy: 1.1611789261891807
Energy: 1.0075161181489731
Energy: 1.180894312637529
Energy: 1.060959943759337
Energy: 1.1260866835732068
Energy: 1.075613760054712
Energy: 1.0009702442891022
Energy: 1.4179512533788636
Energy: 1.0606823902631668
Energy: 1.1185439602794416
Energy: 1.351851374513446
Energy: 1.172564742752587
Energy: 1.4202915912765266
Energy: 1.0591515700444074
Energy: 1.1180143738700101
Energy: 1.393101229933027
Energy: 1.1732886243235399
Energy: 1.387416081274144
Energy: 1.4481799715220398
Energy: 1.3653351502478848
Energy: 1.3221486799793143
Energy: 1.1760783826852197
Energy: 1.3921707610082117
Energy: 1.230570377047823
Energy: 1.3650256689984106
Energy: 1.3010680554631056
Energy: 1.1762374012649888
Energy: 1.1551408029403618
Energy: 1.195722710088589
Energy: 1.2392179019294685
Energy: 1.174155582111638
Energy: 1.4076070468617556
Energy: 1.155504737671779
Energy: 1.2418981100749846
Energy: 1.2372008250891031
Energy: 1.1757824224477056
Energy: 1.2896722647477472
Energy: 1.2799197288922015
Energy: 1.2328833128317649
Energy: 1.1829866551452117
Energy: 1.1827942623620988
Energy: 1.171479187032794
Energy: 1.169368203985167
Energy: 1.1813914462673645
Energy: 1.181716985469461
Energy: 1.1840078324978889
Energy: 1.2957595716791273

minimum gb energy = 0.9980019704535552 eV
minimum distance =  2.3037840603902 Angstroms
sigma value = 75


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

Energy: 2.263475821434505
Energy: 1.4706687367175668
Energy: 1.2432547929228037
Energy: 1.2571894130070336
Energy: 1.4351088828996592
Energy: 1.2273652141001719
Energy: 1.4560980321897041
Energy: 1.2593891213971429
Energy: 1.277116181580198
Energy: 1.4364729744970657
Energy: 1.3327621858853762
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Energy: 1.2598593716415905
Energy: 1.2715990348507815
Energy: 1.1695291785950084
Energy: 1.2451780871136606
Energy: 1.1404965817022474
Energy: 1.250185181900824
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Energy: 1.2201024319213414
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Energy: 1.3011048294063845
Energy: 1.317799908249771
Energy: 1.3002427888961297
Energy: 1.3030791018581502
Energy: 1.2437193135015145
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Energy: 1.2749619919234199
Energy: 1.2833720527906973
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Energy: 1.1654558069657537
Energy: 1.1447032849191663
Energy: 1.1644786573300494
Energy: 1.2450177695213052
Energy: 1.3075576344940094
Energy: 1.1648316382763617
Energy: 1.1662753007871927
Energy: 1.1576882276300011
Energy: 1.2940077870344344
Energy: 1.306858153951372
Energy: 1.2374675929281782
Energy: 1.1846351186804702
Energy: 1.4392356308654748
Energy: 1.3180345007623975
Energy: 1.1702020042145873
Energy: 1.1772833416002735
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Energy: 1.4488630685733566
Energy: 1.2431589918368549
Energy: 1.2397219133077964
Energy: 1.2432729733308194
Energy: 1.2562297424683058
Energy: 1.456221229285996
Energy: 1.1738199068539863
Energy: 1.2402411731715426
Energy: 1.2222243612171753
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Energy: 1.3151792089841647
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Energy: 1.2902371737237726
Energy: 1.2106343779866724
Energy: 1.2134143132703903
Energy: 1.2363428661288158
Energy: 1.4927416114308942
Energy: 1.2966021486284804
Energy: 1.293079308155273
Energy: 1.2192135699755486
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Energy: 1.1899474883331045
Energy: 1.5032800722680744
Energy: 1.2844279483677823
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Energy: 1.2197832708808602
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Energy: 1.272330022505148
Energy: 1.170305569492285
Energy: 1.167731742877775
Energy: 1.3000597657106685
Energy: 1.199393822465781
Energy: 1.3354498676253421
Energy: 1.1708147765135424
Energy: 1.2445422223699054
Energy: 1.1668069018054652
Energy: 1.2336656518734406
Energy: 1.2767196032320234
Energy: 1.3108591802019338
Energy: 1.3081479544740358
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Energy: 1.3151255026163715
Energy: 1.2754757683872084
Energy: 1.310766688921204
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Energy: 1.190977250006546
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Energy: 1.1745960644308084
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Energy: 1.214839433607596
Energy: 1.4757620477842641
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Energy: 1.474430645758902
Energy: 1.2279495446375386
Energy: 1.23612614341192
Energy: 1.4864496109929037
Energy: 1.233446104737089
Energy: 1.4287572890421192
Energy: 1.2451841326998063
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minimum gb energy = 1.1345689795874037 eV
minimum distance =  2.27400202384638 Angstroms
sigma value = 105


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

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Energy: 1.264821407510008
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Energy: 1.296300479311563
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Energy: 1.3162102012665315
Energy: 1.3176549333732466
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Energy: 1.312574030680101
Energy: 1.2190882297834995
Energy: 1.3161106581069266
Energy: 1.3363460462828356
Energy: 1.3776901935111834
Energy: 1.3122138905009357
Energy: 1.340189926419571
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Energy: 1.3153219152024933
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Energy: 1.3279907448059483
Energy: 1.2376284626531329
Energy: 1.3353120386419897
Energy: 1.3187810888665588
Energy: 1.371591220768083
Energy: 1.3188850097567375
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Energy: 1.3173811831956657
Energy: 1.2302972317707597
Energy: 1.313634813876362
Energy: 1.2309538407139666
Energy: 1.3129910019682816
Energy: 1.3125190771672879
Energy: 1.322347088275554
Energy: 1.4245881464878825
Energy: 1.2800743624627318
Energy: 1.339957484283633
Energy: 1.3037905591179217
Energy: 1.2080873086670618
Energy: 1.3180094485248728
Energy: 1.2802176392348334
Energy: 1.3122890908145262
Energy: 1.3121667245689876
Energy: 1.3728857639800045
Energy: 1.355125678732124
Energy: 1.3321880916915534
Energy: 1.3083968765483598
Energy: 1.3089690580549544
Energy: 1.3486340944720614
Energy: 1.2425811326104717
Energy: 1.3320452992001375
Energy: 1.3468273282395637
Energy: 1.3097921282518732
Energy: 1.3804565328483909
Energy: 1.3178411598176978
Energy: 1.2465258846926046
Energy: 1.2304203491566021
Energy: 1.2509904090629393
Energy: 1.3034958059849782
Energy: 1.1693170956990198
Energy: 1.2544746884840057
Energy: 1.2469769305930807
Energy: 1.2174157966766523
Energy: 1.3123965732556495
Energy: 1.2568452789479863
Energy: 1.2500339593323813
Energy: 1.2591768037879838
Energy: 1.2649857868397294
Energy: 1.2387816531372933
Energy: 1.2532929009268985
Energy: 1.2395289852174638
Energy: 1.2462991294349084
Energy: 1.2450001960041601
Energy: 1.3409740121171685

minimum gb energy = 1.1616781301967452 eV
minimum distance =  2.26295060149851 Angstroms
sigma value = 165


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

Energy: 1.5323834156651868
Energy: 1.1449472280397786
Energy: 1.1418970564062345
Energy: 1.2285327428012494
Energy: 1.128869481873615
Energy: 1.532376669159316
Energy: 1.1440648415667614
Energy: 1.141795873895238
Energy: 1.2273449064386743
Energy: 1.1280083310956193
Energy: 1.212934615352197
Energy: 1.2127806670893593
Energy: 1.233488641167335
Energy: 1.213989745138298
Energy: 1.2134009978460636
Energy: 1.213645896391283
Energy: 1.2133345379766418
Energy: 1.2226240415750416
Energy: 1.2144671573286805
Energy: 1.2938466746145878
Energy: 1.220642251196836
Energy: 1.2934492647979197
Energy: 1.1424321296132085
Energy: 1.2233131270004032
Energy: 1.2697234157437427
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Energy: 1.1489863053924099
Energy: 1.1492553997875696
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Energy: 1.2696942168152485
Energy: 1.2943333350532769
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Energy: 1.2297982481547376
Energy: 1.2263574897859837
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Energy: 1.2927004093119987
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Energy: 1.223822157367543
Energy: 1.2229011258026956
Energy: 1.2143307356591677
Energy: 1.2132252316433887
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Energy: 1.5397638466501804
Energy: 1.2230677097090434
Energy: 1.2198128063205096
Energy: 1.2225334168178206
Energy: 1.2937479999493904
Energy: 1.532262122855877
Energy: 1.22298887852346
Energy: 1.2184478970346035
Energy: 1.2192710251346424
Energy: 1.2211277259901694
Energy: 1.2325802678186697
Energy: 1.224227903606742
Energy: 1.218350943634988
Energy: 1.2242216619753645
Energy: 1.222680544631187
Energy: 1.2336154178530092
Energy: 1.2883345060460711
Energy: 1.1346417358564174
Energy: 1.2113012654041257
Energy: 1.2130301122185492
Energy: 1.142522675841784
Energy: 1.2185276890315957
Energy: 1.2170553748496744
Energy: 1.2092011708525208
Energy: 1.2155477086026347
Energy: 1.142961470898819
Energy: 1.2153029175993781
Energy: 1.2056083182954307
Energy: 1.208233717637804
Energy: 1.1249371624716211
Energy: 1.2104494015674572
Energy: 1.2930107274893898
Energy: 1.2246293413392577
Energy: 1.1489140000299527
Energy: 1.1290084150960225
Energy: 1.2105172153267678
Energy: 1.127663378003683
Energy: 1.2130984555425222
Energy: 1.2293283371437553
Energy: 1.144366258620582
Energy: 1.2111522980063312
Energy: 1.2128571333847147
Energy: 1.216338873187233
Energy: 1.2297135165327635
Energy: 1.1453836545338785
Energy: 1.2128379602642079

minimum gb energy = 1.1244998724041073 eV
minimum distance =  2.25230667041532 Angstroms
sigma value = 41


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

Energy: 2.2420024967286842
Energy: 1.0765761242297691
Energy: 1.0590384546653544
Energy: 1.0577702937526259
Energy: 1.0359810322092322
Energy: 1.0614110470055729
Energy: 1.0807855681115384
Energy: 1.086653076469754
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Energy: 1.059974433528445
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Energy: 1.1206596498061685
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Energy: 1.1150960025993875
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Energy: 1.1196500125633537
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Energy: 1.2340967377535
Energy: 1.116368002018853
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Energy: 1.2347725451511617
Energy: 1.1170264786640787
Energy: 1.2023862177478415
Energy: 1.1571936259203053
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Energy: 1.0970642296486328
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Energy: 1.1093573605256235
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Energy: 1.1061579774217374
Energy: 1.107457279546998
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Energy: 1.0868297980815336
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Energy: 1.1035579556084578
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Energy: 1.1203378758959746
Energy: 1.102685631594201
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Energy: 1.1162298809368811
Energy: 1.1099928379874102
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Energy: 1.2806130445066903
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Energy: 1.0629478391548974
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Energy: 1.12797495134831
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Energy: 1.160147374490935
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Energy: 1.1549824166052567
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Energy: 1.1187340503549954
Energy: 1.1190610558433691
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Energy: 1.1365148937499423
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Energy: 1.0467215395324228
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Energy: 1.1026279722075991
Energy: 1.137907883781876
Energy: 1.110150313498215
Energy: 1.1325517255987905
Energy: 1.1190292930770114
Energy: 1.1202651063568934
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Energy: 1.2799723447707647
Energy: 1.1245591286139822
Energy: 1.121644446389043
Energy: 1.1534004401072429
Energy: 1.113447447513994
Energy: 1.2827626618515375
Energy: 1.117671243663724
Energy: 1.107442303303213
Energy: 1.0394525054122812
Energy: 1.070881955832411
Energy: 1.0660643034537585
Energy: 1.0957181220498744
Energy: 1.1391872714667681
Energy: 1.0701913987727993
Energy: 1.0712655104442497
Energy: 1.0668324342360875
Energy: 1.0420899130409256
Energy: 1.0648901718743577
Energy: 1.0608589445480445
Energy: 1.0580912662839987
Energy: 1.0581729410214944
Energy: 1.0428633996541488
Energy: 1.070612309771541
Energy: 1.0711325279080597
Energy: 1.0832029437695776
Energy: 1.0867323366674173
Energy: 1.0659203954832812
Energy: 1.198319307631679
Energy: 1.0601402730877727
Energy: 1.0877602118791916
Energy: 1.0573665420315634
Energy: 1.085122577244235
Energy: 1.1387701883989838
Energy: 1.0796762925379906
Energy: 1.085839783085538
Energy: 1.0756808564914888
Energy: 1.0896134854612778
Energy: 1.0758865959162407
Energy: 1.0707042465298755
Energy: 1.075433278506889
Energy: 1.0682136105295865
Energy: 1.1383030900599107
Energy: 1.0526090925339662
Energy: 1.156674969228955
Energy: 1.0585550158721022
Energy: 1.1231382439247926

minimum gb energy = 1.0359810322092322 eV
minimum distance =  2.29636629171689 Angstroms
sigma value = 185


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

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Energy: 0.7388731560519634
Energy: 0.6788991773179367
Energy: 0.7532831317774145
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Energy: 0.8787820477248667
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Energy: 0.6680410473699021
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Energy: 0.9932570692039505
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Energy: 0.6618394698817578
Energy: 0.8800275215481621
Energy: 0.7583939245884644
Energy: 0.7703829330490247
Energy: 0.6199576088034464
Energy: 0.7443398240194304
Energy: 0.9123248931511406
Energy: 0.7672013958332907
Energy: 0.7521334886677703
Energy: 0.7809720329207996
Energy: 0.7269095466437429
Energy: 0.8936202381014835
Energy: 0.8474518083956987
Energy: 0.6410828829157678
Energy: 0.6350585375337979
Energy: 0.7732199337477371
Energy: 1.0679136232830697
Energy: 0.7790191386460328
Energy: 0.8071257931771915
Energy: 0.8397512377105374
Energy: 0.7943233297376484
Energy: 0.7527729437183763
Energy: 0.6690648961833384
Energy: 0.6723649377093078
Energy: 0.7634409182808111
Energy: 0.7695256250571609
Energy: 0.884560019601283
Energy: 0.7203878944172638
Energy: 0.7524426939830878
Energy: 0.5802818818407194
Energy: 0.7312405648650839
Energy: 1.126611046648356
Energy: 0.874757683247279
Energy: 0.9066225841478748
Energy: 0.7440987236520851
Energy: 0.7820689303988864
Energy: 0.6734402246423882
Energy: 0.7032228094763907
Energy: 0.6384962667671814
Energy: 0.6136205890281747
Energy: 0.738063306365316
Energy: 0.7504698856822472
Energy: 0.9062931808464328

minimum gb energy = 0.5346450543726766 eV
minimum distance =  2.27439318911391 Angstroms
sigma value = 33


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

Energy: 1.0237716536294366
Energy: 0.9864137008127999
Energy: 0.9824797215155538
Energy: 0.9698644777365414
Energy: 0.9694750747301474
Energy: 0.969306255654209
Energy: 0.9821735690727093
Energy: 0.9759542410246516
Energy: 1.0090000975435818
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Energy: 1.0108758915553009
Energy: 0.9807703549200234
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Energy: 1.0428478500845424
Energy: 0.9747694739391101
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Energy: 1.0180212950831704
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Energy: 0.9784831024830676
Energy: 1.153275539795144
Energy: 1.0551319593879
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Energy: 0.9777458274664412
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Energy: 0.9830930987088145
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Energy: 0.9747943611676486
Energy: 1.0672591594832592
Energy: 0.9773422924234736
Energy: 0.9831344660229407
Energy: 0.9857216683651141
Energy: 0.987735850034765
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Energy: 0.9779325098027188
Energy: 1.0432167797471206
Energy: 1.0870499280664385
Energy: 0.9854446294774846
Energy: 0.9871370784251446
Energy: 0.9857117004389553
Energy: 0.9831319532602193
Energy: 0.9724913126525991
Energy: 1.0018859079768168
Energy: 0.9831242878185571
Energy: 0.975344740766391
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Energy: 0.9703949851522113
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Energy: 0.9800540727500009
Energy: 0.9841552687843781
Energy: 0.9749807987165144
Energy: 1.0108783079174641
Energy: 1.0035255336357973

minimum gb energy = 0.9454575356044257 eV
minimum distance =  2.2523205062775 Angstroms
sigma value = 219


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

Energy: 1.810320701878288
Energy: 1.2787267653337429
Energy: 1.2346512999883636
Energy: 1.2789162050100569
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Energy: 1.2951206468599603
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Energy: 1.2811862419262008
Energy: 1.301979048421338
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Energy: 1.281344180709773
Energy: 1.1885895929648753
Energy: 1.2694107825786813
Energy: 1.302630377897413
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Energy: 1.281564010242452
Energy: 1.3075708791010934
Energy: 1.2670346970224171
Energy: 1.2362790903436298
Energy: 1.2723375033559383
Energy: 1.2777755534797812
Energy: 1.3029411809522955
Energy: 1.2683128216582615
Energy: 1.2882649082298507
Energy: 1.288451941131062
Energy: 1.2785893274493447
Energy: 1.2738087436603667
Energy: 1.303162147013238
Energy: 1.2343220973881694
Energy: 1.235918741535452
Energy: 1.2788444074896497
Energy: 1.276131285123783
Energy: 1.3037057869654525
Energy: 1.2335202382160912
Energy: 1.2368638704563337
Energy: 1.277470341957847

minimum gb energy = 1.187085319525111 eV
minimum distance =  2.2909109690403 Angstroms
sigma value = 15


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

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Energy: 1.4186296399020448
Energy: 1.494827171494468
Energy: 1.4125586145025275
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Energy: 1.4376589612368373
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Energy: 1.4029013606008218
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Energy: 1.4594253836837983
Energy: 1.4840062819216762
Energy: 1.4012522996273575
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Energy: 1.3685910711712705
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Energy: 1.435562457335324
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Energy: 1.4277545726743557
Energy: 1.428159723548153
Energy: 1.3859858737586377
Energy: 1.3793823903368188
Energy: 1.41930987693932
Energy: 1.4240403276694689
Energy: 1.4036014398268963
Energy: 1.4195750046213549
Energy: 1.4567506874219072
Energy: 1.3912637600956306
Energy: 1.4056283109503396
Energy: 1.4163950751617624
Energy: 1.4325320252240896
Energy: 1.4220254952981544
Energy: 1.3879943758002173
Energy: 1.4114760838519456
Energy: 1.4425486663135643
Energy: 1.438629067301742
Energy: 1.4092346974543537
Energy: 1.3883663976524876
Energy: 1.3819770934695048
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minimum gb energy = 1.3551263231179453 eV
minimum distance =  2.22472789715661 Angstroms
sigma value = 293


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

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Energy: 1.3997353341199994
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Energy: 1.432428774680478
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Energy: 1.412818512058045
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Energy: 1.4104061560490415
Energy: 1.4021547131131804
Energy: 1.4168046917049328
Energy: 1.4110566309185348
Energy: 1.4066861482833515
Energy: 1.4563211536923717
Energy: 1.4133677957182975
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Energy: 1.4102664735084027
Energy: 1.401952332509162
Energy: 1.4480009204354194
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Energy: 1.424996542813663
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Energy: 1.4106050933744478
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Energy: 1.4076131156019633
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Energy: 1.4427235209655034
Energy: 1.4125401891616756
Energy: 1.4223713504633586
Energy: 1.4252402937550424
Energy: 1.3718370443999806
Energy: 1.4321153466505654
Energy: 1.4317734498280503
Energy: 1.4210750168138702
Energy: 1.3732393565091927
Energy: 1.428623375000986
Energy: 1.45587872326371
Energy: 1.4636826981607798
Energy: 1.3978562128738707
Energy: 1.3608206069284066
Energy: 1.4894703725490614
Energy: 1.424468743705708
Energy: 1.4042235795258085
Energy: 1.4443763477566327
Energy: 1.4809591319861657
Energy: 1.4740129253757204
Energy: 1.4253600203401373
Energy: 1.4053701863562538
Energy: 1.4699917904705235
Energy: 1.365475292300248
Energy: 1.4057841174793388
Energy: 1.3972965920279752
Energy: 1.4111906924625974
Energy: 1.463141062942574
Energy: 1.4107836667724494
Energy: 1.4032844184260411
Energy: 1.3984672793061474
Energy: 1.4091708061437525
Energy: 1.4735742817373818
Energy: 1.4695788223974133
Energy: 1.4807279516746565
Energy: 1.4587491177279848
Energy: 1.4475041540307563
Energy: 1.4022476067832188
Energy: 1.4157652781301913
Energy: 1.4391966903927502
Energy: 1.4329842128615646
Energy: 1.442153784208754
Energy: 1.406611442850081
Energy: 1.416311797724217
Energy: 1.4064773338398504
Energy: 1.4736592246118398
Energy: 1.4034752154218166
Energy: 1.4215600646717372
Energy: 1.4373610214999246
Energy: 1.4709206868583695
Energy: 1.4735402998275284
Energy: 1.470830001729909
Energy: 1.4207648618232682
Energy: 1.4366531067755486
Energy: 1.4310495718235274
Energy: 1.472193122694206
Energy: 1.372428663138795
Energy: 1.4252883400827026
Energy: 1.429002110862407
Energy: 1.4450873026520166
Energy: 1.472494354247749
Energy: 1.3966138429145982
Energy: 1.4138403750157678
Energy: 1.4764496457094705
Energy: 1.3538052923561974
Energy: 1.4605832981602043
Energy: 1.4324831469766381
Energy: 1.3680963499375849
Energy: 1.4360783320038926
Energy: 1.4226216352548422
Energy: 1.430390394955305
Energy: 1.4128642167768788
Energy: 1.4127304631992939
Energy: 1.4412515678835396

minimum gb energy = 1.3399609334988487 eV
minimum distance =  2.25401199410759 Angstroms
sigma value = 293


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

Energy: 1.3012023502627932
Energy: 1.3413457565431202
Energy: 1.4607542085114844
Energy: 1.3434764175168004
Energy: 1.3144975825435827
Energy: 1.3027597997017824
Energy: 1.3426596506830353
Energy: 1.4542065820053394
Energy: 1.3427026027429443
Energy: 1.313384521269496
Energy: 1.4223670841029248
Energy: 1.335610071617545
Energy: 1.332576863446399
Energy: 1.3317876868089857
Energy: 1.3372450136682439
Energy: 1.417291400012665
Energy: 1.335377764430055
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Energy: 1.3336993141182867
Energy: 1.3376665334703077
Energy: 1.3454420802301164
Energy: 1.3360410307169892
Energy: 1.3362463305884968
Energy: 1.3432889844171787
Energy: 1.4180988380088215
Energy: 1.3398244780970985
Energy: 1.3338157704920657
Energy: 1.335468548182785
Energy: 1.4572878218802743
Energy: 1.4202462522600292
Energy: 1.4583838732755554
Energy: 1.307152118086995
Energy: 1.3109370548764585
Energy: 1.3439377036269926
Energy: 1.3387667441516613
Energy: 1.4589768029487609
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Energy: 1.3083613290802498
Energy: 1.3381703648454315
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Energy: 1.3354205292774022
Energy: 1.3450274676286933
Energy: 1.3404358958744047
Energy: 1.309815510117806
Energy: 1.3446263681963975
Energy: 1.3364047154562126
Energy: 1.3428995310609038
Energy: 1.3396740679045716
Energy: 1.308541917708029
Energy: 1.344526389592434
Energy: 1.3352864769929385
Energy: 1.336001511182143
Energy: 1.3385726362139005
Energy: 1.4116452751675959
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Energy: 1.3039338450839077
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Energy: 1.3402601192671584
Energy: 1.3030272276232528
Energy: 1.3096813287547413
Energy: 1.3349595832855534
Energy: 1.3107072464062586
Energy: 1.3337508422936326
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Energy: 1.4233281990001496
Energy: 1.3347968266237573
Energy: 1.3318812326495122
Energy: 1.3334402377870436
Energy: 1.3073551611135137
Energy: 1.4261814373284447
Energy: 1.3358606709424707
Energy: 1.33720726843316
Energy: 1.4173982952432675
Energy: 1.4598558997473365
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Energy: 1.343506762918861
Energy: 1.3094153054552269
Energy: 1.3401000267430483
Energy: 1.419477367285232
Energy: 1.3014879033851767
Energy: 1.3414010543600365
Energy: 1.4551720868644307
Energy: 1.3426707845325228
Energy: 1.3138773431039317
Energy: 1.3030605953782577
Energy: 1.342729845648719
Energy: 1.4580113806386874
Energy: 1.343710480330307
Energy: 1.313273860406256
Energy: 1.4236472790375154
Energy: 1.3351742263880937
Energy: 1.3329921805820604
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Energy: 1.338170007288
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Energy: 1.335133888895927
Energy: 1.306042602307074
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Energy: 1.4111581177473076
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Energy: 1.3366176743853957
Energy: 1.459315520984674
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Energy: 1.4553661856407434
Energy: 1.4202121536627634
Energy: 1.4580975780753518
Energy: 1.3067596976154419
Energy: 1.3105154071629554
Energy: 1.3441283705331766
Energy: 1.4680781040152158
Energy: 1.4579159746069084
Energy: 1.3054685525549334
Energy: 1.312347426139893
Energy: 1.3438727292130541
Energy: 1.419521253073803
Energy: 1.3384953145827538
Energy: 1.310775722813877
Energy: 1.3043114944855194
Energy: 1.3538580678867207
Energy: 1.3411583260457463
Energy: 1.3358729741605082
Energy: 1.3108536502894093
Energy: 1.3054363358050847
Energy: 1.3394222341561275
Energy: 1.3346871696209697
Energy: 1.3350733007269964
Energy: 1.4576205747377586
Energy: 1.3443358951876725
Energy: 1.3339840312900908
Energy: 1.346691419444375
Energy: 1.3347835871031672
Energy: 1.4552956092509142
Energy: 1.3437381886453832
Energy: 1.334786525542352
Energy: 1.3453452094999714
Energy: 1.3435907076318034
Energy: 1.3099147332359722
Energy: 1.345775125702397
Energy: 1.3358114804739414
Energy: 1.3469429570722002
Energy: 1.3398508696603169
Energy: 1.3085820281806009
Energy: 1.3446018720977249
Energy: 1.3361541881006003
Energy: 1.3350863798481307
Energy: 1.338890311055854
Energy: 1.4121995365525695
Energy: 1.3426427432125185
Energy: 1.3040752807347806
Energy: 1.3097999994455838
Energy: 1.4131370389392768
Energy: 1.4122439785042136
Energy: 1.34137667946235
Energy: 1.303133330274029
Energy: 1.3088015255641556
Energy: 1.3351784626538137
Energy: 1.31071870321739
Energy: 1.3339765568358481
Energy: 1.3089459497913896
Energy: 1.422302429703362
Energy: 1.334971308910291
Energy: 1.3318476410598208
Energy: 1.33405741235446
Energy: 1.3075938691764841
Energy: 1.3402759323686746
Energy: 1.3354516534050913
Energy: 1.3364602132444763
Energy: 1.4142760848582705
Energy: 1.4607393041539745
Energy: 1.3417481013795844
Energy: 1.338559136946263
Energy: 1.3389205279262537
Energy: 1.4178117653494235
Energy: 1.4152046699746026
Energy: 1.3374163912283064
Energy: 1.3070535853987812
Energy: 1.3436213264987589
Energy: 1.3319315182711395
Energy: 1.3373930522728392
Energy: 1.421916960570864
Energy: 1.3085208578759089
Energy: 1.343810117924405
Energy: 1.3091784253379535
Energy: 1.3382979794534686
Energy: 1.419676754708136

minimum gb energy = 1.3012023502627932 eV
minimum distance =  2.28193009219392 Angstroms
sigma value = 15


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

Energy: 2.391223680751797
Energy: 1.4713619529851607
Energy: 1.4482959258940211
Energy: 1.338285707493236
Energy: 1.4937879143479273
Energy: 1.5008228728617037
Energy: 1.5533958325238153
Energy: 1.433575692271074
Energy: 1.3402076717092322
Energy: 1.499928887080479
Energy: 1.3438983518368384
Energy: 1.3841683838664736
Energy: 1.429190186834739
Energy: 1.4333846933866192
Energy: 1.376202094623012
Energy: 1.3196269438134651
Energy: 1.4526346979140887
Energy: 1.4252316668186693
Energy: 1.4399256732404728
Energy: 1.4560348544821469
Energy: 1.5306844782447542
Energy: 1.3788185545595746
Energy: 1.4328239175580149
Energy: 1.438542927572991
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Energy: 1.5179955614059046
Energy: 1.402082415304926
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Energy: 1.5259400917707167
Energy: 1.4248298897444551
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Energy: 1.5265236943495553
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Energy: 1.3290706191393977
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Energy: 1.5202508653738174
Energy: 1.4770526059728504
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Energy: 1.428163215338635
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Energy: 1.3997617099561075
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Energy: 1.4333281423094402
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Energy: 1.3682354960231287
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Energy: 1.3363633657046627
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Energy: 1.311941691155437
Energy: 1.469187808543098
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Energy: 1.3541789095073473
Energy: 1.3121744243037623
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Energy: 1.4325585713680997
Energy: 1.4131094860021578
Energy: 1.3952454222508806
Energy: 1.328405764132235
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Energy: 1.4174541391596838
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Energy: 1.356794439795414
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Energy: 1.5571719388496694
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Energy: 1.3795693646859353
Energy: 1.4709573128365685
Energy: 1.5669871394354944
Energy: 1.4063554930665898
Energy: 1.4168402674342098
Energy: 1.566806590776437
Energy: 1.5645081809023624
Energy: 1.3775621696081246
Energy: 1.4273789967090698
Energy: 1.386002790574173
Energy: 1.633729599563317
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Energy: 1.439646155547907
Energy: 1.3125519181783596
Energy: 1.3149885256120197
Energy: 1.3935697640493534
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Energy: 1.428384312262537
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Energy: 1.3481583959931256
Energy: 1.3440539392980524
Energy: 1.4915515151787928
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Energy: 1.362868165429087
Energy: 1.3588983742413692
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Energy: 1.3318077106069202
Energy: 1.4359711121545762
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Energy: 1.3390200154576595
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Energy: 1.4493993983687634
Energy: 1.3327370007499988
Energy: 1.3567443948166757
Energy: 1.3549812334426763
Energy: 1.3632494788706109
Energy: 1.5227848607587398
Energy: 1.3330823247461647
Energy: 1.355713709854198
Energy: 1.3195342063277409
Energy: 1.3895296649909268
Energy: 1.3461559031598456
Energy: 1.367057236619287
Energy: 1.4125917572092461
Energy: 1.598560703283904
Energy: 1.334372442519279
Energy: 1.3710613420061346
Energy: 1.3673465701997471
Energy: 1.412792471200176
Energy: 1.5965595763899405
Energy: 1.4279608515562316
Energy: 1.381244873539352
Energy: 1.3692398253849134
Energy: 1.351708533868868
Energy: 1.4451086790231749
Energy: 1.389760594569964
Energy: 1.3845955282264155
Energy: 1.3707706089024456
Energy: 1.3230301480454725
Energy: 1.402687000635442
Energy: 1.3776556128652517
Energy: 1.3226158895516689
Energy: 1.3635106647225612
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Energy: 1.592242209177047
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Energy: 1.4799116801823333
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Energy: 1.426236197110551
Energy: 1.4497424381865216
Energy: 1.448993927158447
Energy: 1.332672282462586
Energy: 1.3294368410913542
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Energy: 1.3777348643355776
Energy: 1.4482233578084034
Energy: 1.4858789445724006
Energy: 1.44716177252744
Energy: 1.3879793495928539
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Energy: 1.4520797404947159
Energy: 1.551667089916082
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Energy: 1.5097901771735673
Energy: 1.435674439507622
Energy: 1.4375806724677853
Energy: 1.431555154567981
Energy: 1.5559117644819374
Energy: 1.4648838710775423
Energy: 1.5311259007525477
Energy: 1.474104978279941
Energy: 1.577448146236766
Energy: 1.5529796164018232
Energy: 1.462559439368284
Energy: 1.3686579234175353
Energy: 1.4698541991524747
Energy: 1.5723774967304378
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Energy: 1.603754264824623
Energy: 1.4694961821166204
Energy: 1.3825118070028928
Energy: 1.425623531575036
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Energy: 1.3293847560229366
Energy: 1.425306622343541
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Energy: 1.5817156117815283
Energy: 1.3385364755896094
Energy: 1.3397575284914987
Energy: 1.621245937021605
Energy: 1.6233190459074474
Energy: 1.5597547476224967
Energy: 1.338138096647883
Energy: 1.3387470804434023
Energy: 1.6059739370026755
Energy: 1.5474248883342536
Energy: 1.3438048448154325
Energy: 1.344114025707829
Energy: 1.3429106772978527
Energy: 1.3792865141637412
Energy: 1.4716197883468394
Energy: 1.3414379465602653
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Energy: 1.340211340794685
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Energy: 1.4791473688804968
Energy: 1.3462081948338773
Energy: 1.3397389743043846
Energy: 1.3539696317117194
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Energy: 1.5398104516752034
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Energy: 1.339053625900907
Energy: 1.3523017770306827
Energy: 1.331853279447874
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Energy: 1.4229465201081046
Energy: 1.3939531079896657
Energy: 1.4291595370040737
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Energy: 1.3764752436777101
Energy: 1.445095027172517
Energy: 1.4287496903616572
Energy: 1.3937024219786907
Energy: 1.3797522734121954
Energy: 1.3209568283812387
Energy: 1.3911630891373648
Energy: 1.3359411996216684
Energy: 1.3877845442460552
Energy: 1.364388826571214
Energy: 1.3185940064403618
Energy: 1.4145951603542346
Energy: 1.350357816537898
Energy: 1.378186500813092
Energy: 1.4360329606813922
Energy: 1.3658914419137278
Energy: 1.377695050017987
Energy: 1.383514299634576
Energy: 1.3851842936994676
Energy: 1.4308635421854812
Energy: 1.3893598682512995
Energy: 1.3778352313253233
Energy: 1.373465078142856
Energy: 1.3767795512905874
Energy: 1.5837991393462711
Energy: 1.3893534069786138
Energy: 1.36453832069164
Energy: 1.311374236677232
Energy: 1.3908670166483335
Energy: 1.5839185827840485
Energy: 1.3923148496204096
Energy: 1.329505892655189
Energy: 1.3230073234418849
Energy: 1.38963339463325
Energy: 1.4323501394601006
Energy: 1.3124087938382638
Energy: 1.3317717185964253
Energy: 1.3320479008117765
Energy: 1.401001926912335
Energy: 1.4353317640574872
Energy: 1.3348719779618423
Energy: 1.3298873295233005
Energy: 1.331283708445115
Energy: 1.4225149729550182
Energy: 1.4176362695242712
Energy: 1.4069984837866556
Energy: 1.491310680911635
Energy: 1.3688986442046644
Energy: 1.3658658281636717
Energy: 1.419081863422556
Energy: 1.4172603951820264
Energy: 1.339083103414201
Energy: 1.378115631390686
Energy: 1.3852871716762474
Energy: 1.3782289730101605
Energy: 1.4262012224230842
Energy: 1.5638278715845775
Energy: 1.3768760998158165
Energy: 1.3902182634768065
Energy: 1.3565281714322004
Energy: 1.4059938926896447
Energy: 1.5552696525430958
Energy: 1.3925502504680574
Energy: 1.4201573176241387
Energy: 1.5991928101964505
Energy: 1.5658045119982997
Energy: 1.3435616150780487
Energy: 1.5651395579976766
Energy: 1.387123394579368
Energy: 1.5616917302270366
Energy: 1.5569785624682284
Energy: 1.331341910555687
Energy: 1.5606233131904583
Energy: 1.3127825986789392
Energy: 1.314900346324008
Energy: 1.47679605909188
Energy: 1.4076794366435503
Energy: 1.5453796729555547
Energy: 1.4277997262495095
Energy: 1.316508916203976
Energy: 1.4630671645562634
Energy: 1.4190928869065134
Energy: 1.5552517116250828
Energy: 1.379373936815184
Energy: 1.5687338079146864
Energy: 1.5862858790590955
Energy: 1.5480625348588097
Energy: 1.4400191813431888
Energy: 1.343401101854257
Energy: 1.578120089749092
Energy: 1.5845198684500807
Energy: 1.581529884864976
Energy: 1.451420412856039
Energy: 1.3410800763636899
Energy: 1.3379317154871817
Energy: 1.5553364138589933
Energy: 1.365502745883265
Energy: 1.3423101448555057
Energy: 1.3454120095428261
Energy: 1.339442923415331
Energy: 1.5625173987361043
Energy: 1.3495577312598181
Energy: 1.3389714311254384
Energy: 1.3512484773254863
Energy: 1.3532457735146675
Energy: 1.428543710573243
Energy: 1.4246879739578389
Energy: 1.3385413501943726
Energy: 1.3422086486838143
Energy: 1.436483637647369
Energy: 1.4327034965534466
Energy: 1.4325943956130855
Energy: 1.337012367795151
Energy: 1.3420017631623626
Energy: 1.514971338054852
Energy: 1.3323319059501677
Energy: 1.3679662216819752
Energy: 1.4523294311668786
Energy: 1.424669505938861
Energy: 1.4675392053456469
Energy: 1.3306642881648596
Energy: 1.3520461405203477
Energy: 1.4740728371409626
Energy: 1.463934354204058
Energy: 1.3438160746549117
Energy: 1.3393188864229504
Energy: 1.3716873015912203
Energy: 1.5992004468094319
Energy: 1.3347620195787382
Energy: 1.3191385940879363
Energy: 1.316862953509149
Energy: 1.4532368637542576
Energy: 1.5972276239871275
Energy: 1.3356603814979962
Energy: 1.3436615139762917
Energy: 1.351109979568966
Energy: 1.346801987142224
Energy: 1.3387940490981278
Energy: 1.3594571546084862
Energy: 1.3694986599635457
Energy: 1.3637729076475382
Energy: 1.368125900272458
Energy: 1.4041186009180973
Energy: 1.355248369214106
Energy: 1.3441011572540302
Energy: 1.3263066543816642
Energy: 1.5914712400865154
Energy: 1.5928530849708755
Energy: 1.5616970461687738
Energy: 1.3218049616314318
Energy: 1.350736279850924
Energy: 1.5891318946744597
Energy: 1.4419047328190324
Energy: 1.3926469156498944
Energy: 1.3472562700271093
Energy: 1.46963252573991
Energy: 1.4340369413362688
Energy: 1.343248958424728
Energy: 1.310676423311552
Energy: 1.3615292996223047
Energy: 1.4615088443321858
Energy: 1.5136471114573493
Energy: 1.3431244048648685
Energy: 1.319603205545762

minimum gb energy = 1.3082330198324528 eV
minimum distance =  2.23954785310765 Angstroms
sigma value = 437


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

Energy: 1.8150206628212047
Energy: 1.3243839964459387
Energy: 1.4061314409114498
Energy: 1.4521162480293144
Energy: 1.2739864673858932
Energy: 1.8122534948855746
Energy: 1.324304147044014
Energy: 1.4041858319358924
Energy: 1.24575845189435
Energy: 1.4169648810271458
Energy: 1.2416729135756202
Energy: 1.4227481666929027
Energy: 1.306730003802784
Energy: 1.501280502235439
Energy: 1.2780598612349674
Energy: 1.240636324699891
Energy: 1.3324492653684727
Energy: 1.302685079221308
Energy: 1.4202953265953582
Energy: 1.2784499799745928
Energy: 1.376812238716622
Energy: 1.398545541176477
Energy: 1.4180846087128736
Energy: 1.2797408937077066
Energy: 1.2508721846666928
Energy: 1.3817538111620273
Energy: 1.3969549797801046
Energy: 1.4169266997222933
Energy: 1.2788932758400287
Energy: 1.368057674570052
Energy: 1.2765463960685441
Energy: 1.277699748648542
Energy: 1.4123016819010226
Energy: 1.3792513330316618
Energy: 1.3691893833929536
Energy: 1.2782836923469236
Energy: 1.2797523565518611
Energy: 1.4118201711855192
Energy: 1.3784609428015722
Energy: 1.2508734211584105
Energy: 1.2894229112101723
Energy: 1.424313528123424
Energy: 1.2755732551798835
Energy: 1.2799171801293023
Energy: 1.3391909152053403
Energy: 1.286645162496608
Energy: 1.4104850186113667
Energy: 1.2762087557186743
Energy: 1.2918729265646443
Energy: 1.2428841691762897
Energy: 1.2990142949027408
Energy: 1.2773343267943302
Energy: 1.240041783003292
Energy: 1.2937236314882272
Energy: 1.3325928168589187
Energy: 1.2999684215192757
Energy: 1.2771150305337284
Energy: 1.23947906972208
Energy: 1.2894108820084662
Energy: 1.816011847219644
Energy: 1.3903956134339475
Energy: 1.3690002203774263
Energy: 1.3678537563348248
Energy: 1.2799360759367044
Energy: 1.2881768047689772
Energy: 1.3798861438629006
Energy: 1.3634072383897953
Energy: 1.369782592510968
Energy: 1.2805643076564812
Energy: 1.2873069826780215
Energy: 1.3957322749449155
Energy: 1.376334130308043
Energy: 1.2779290828303724
Energy: 1.2877480184143535
Energy: 1.4208149977099402
Energy: 1.3959140620146653
Energy: 1.3741641231362731
Energy: 1.2780396459921928
Energy: 1.2909914890782588
Energy: 1.4206989849838674
Energy: 1.2764240644722438
Energy: 1.4154354699708258
Energy: 1.3221570937749152
Energy: 1.4128999698354654
Energy: 1.2763741757419713
Energy: 1.2748157506910969
Energy: 1.4130512919720148
Energy: 1.310921021064757
Energy: 1.3012861066230867
Energy: 1.2744965109667565
Energy: 1.247361010262664
Energy: 1.2712346795128704
Energy: 1.2507969575180784
Energy: 1.2482874046291867
Energy: 1.324500017282363
Energy: 1.3743478118086725
Energy: 1.2738197614291549
Energy: 1.2546298902788484
Energy: 1.2484931479710262
Energy: 1.3354579888088258
Energy: 1.2411892367941109
Energy: 1.2407437575031246
Energy: 1.3225353109825255
Energy: 1.3328035579732407
Energy: 1.2447103826819585
Energy: 1.2403766714181754
Energy: 1.2406281723385935
Energy: 1.3257672968174483
Energy: 1.3332116220027126
Energy: 1.2774008392858214
Energy: 1.2408682744162156
Energy: 1.2482347703507455
Energy: 1.2475939933055704
Energy: 1.3876388658977794
Energy: 1.2440143514165756
Energy: 1.2440083544339557
Energy: 1.2514202847865663
Energy: 1.249818684114183
Energy: 1.428464798081031
Energy: 1.242315925572856
Energy: 1.2416827634669922
Energy: 1.249564960503244
Energy: 1.290323930624966
Energy: 1.4131872137481105
Energy: 1.2440905213558677
Energy: 1.243457333022497
Energy: 1.2780744126640888
Energy: 1.6432449869426737
Energy: 1.4132737716047798
Energy: 1.2412227921664596
Energy: 1.4974349756432874
Energy: 1.2469621648575633
Energy: 1.4739097117658
Energy: 1.2801223174887417
Energy: 1.2541609918135654
Energy: 1.495298816797646
Energy: 1.3243228113991754
Energy: 1.5424282608984468
Energy: 1.2518392317412839
Energy: 1.2947240942667497

minimum gb energy = 1.23947906972208 eV
minimum distance =  2.31771887918736 Angstroms
sigma value = 33