Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_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=3.5200000256299973
cohesive_energy=4.427798539389678
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=[2.0950862754501e-19, 2.94308632429362e-19, 3.5815216694099394e-19, 4.0977109373520595e-19, 4.5295135619814e-19, 4.898046231334079e-19, 5.216558946173279e-19, 5.49412002624744e-19, 5.73718624339158e-19, 5.950660258105739e-19, 6.13830718547982e-19, 6.30309105228672e-19, 6.44746318877646e-19, 6.573426315741539e-19, 6.68264669688132e-19, 6.776518225867379e-19, 6.856306622240579e-19, 6.92302125728034e-19, 6.977591393434381e-19, 7.020818119019699e-19, 7.053438435287939e-19, 7.076061169360019e-19, 7.089263104824179e-19, 7.0935569382033e-19, 7.08894266949738e-19, 7.074042426801179e-19, 7.04706177228462e-19, 7.00582174572546e-19, 6.947774886275639e-19, 6.869845014797879e-19, 6.76836314680032e-19, 6.63881114417508e-19, 6.475757628132899e-19, 6.272537543876339e-19, 6.020899681740299e-19, 5.71059011126718e-19, 5.3287593758523e-19, 4.859161404426899e-19, 4.28099994428166e-19, 3.5673904714980596e-19, 2.68314918719346e-19, 1.58158065336993e-19, 1.9964562818610598e-20, -1.5491862440070838e-19, -3.7862638214687997e-19, -6.685706854252259e-19, -1.05045909919893e-18, -1.563456831286122e-18, -2.2693390061639397e-18, -3.2702828364890998e-18, -4.74696097474788e-18, -6.990376762973698e-18, -8.06833722409524e-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: -0.0225496501540919 eV

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

Energy: 0.02037629267643903
Energy: 0.02720511971975771
Energy: 0.16788957890214184
Energy: 0.16740653105920814
Energy: 0.026012281964803655
Energy: 0.02227611655667646
Energy: 0.16655626761238768
Energy: 0.16896243635395447
Energy: 0.16694116918818394
Energy: 0.02485903767031384
Energy: 0.021045246780522935
Energy: 0.16479830080938648
Energy: 0.1665288680522679
Energy: 0.1680873006611663
Energy: 0.16882934583932332
Energy: 1.1989641229819286
Energy: 0.16494964379174176
Energy: 0.16644661528214896
Energy: 0.16728625333425254
Energy: 0.16776667748178414
Energy: 0.16911980657974068
Energy: 0.026185438305206376
Energy: 0.02097094765462615
Energy: 0.16595580616290206
Energy: 0.16648123381794908
Energy: 0.16802536540506852
Energy: 0.024648429573048563
Energy: 0.020885633735068094
Energy: 0.16530788402364235
Energy: 0.1684890938944512
Energy: 0.16752155327385262
Energy: 0.021925924047669267
Energy: 0.02212995460492478
Energy: 0.16498907702663784
Energy: 0.1653413130520872
Energy: 0.1679812042151613
Energy: 0.022062640947274004
Energy: 0.02111335096111678
Energy: 0.164545621004439
Energy: 0.166424572345358
Energy: 0.16641826069434512
Energy: 0.16664422800836995
Energy: 0.16975632887098627
Energy: 0.022888787642406132
Energy: 0.021213704569782853
Energy: 0.1667121550586566
Energy: 0.16729751344872454
Energy: 0.16864297098913242
Energy: 0.02456656843750954
Energy: 0.16434880073503205
Energy: 0.16816282709197694
Energy: 0.1653433479630253
Energy: 0.16698855281985983
Energy: 0.022145824862331957
Energy: 0.021001206095461095
Energy: 0.16828708442472629
Energy: 0.16510531649143237
Energy: 0.16782152335868677
Energy: 0.021606541507423423
Energy: 0.02105610350344838
Energy: 0.020976725909190877
Energy: 0.1696678976991839
Energy: 0.16740434293116496
Energy: 0.16814842855662926
Energy: 1.3793704805529035
Energy: 0.021071495667150223
Energy: 0.1704913315058552
Energy: 0.1675855576039325
Energy: 0.1693704830294015
Energy: 1.2935463955210542

minimum gb energy = 0.02037629267643903 eV
minimum distance =  0.000343060832309686 Angstroms
sigma value = 3


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

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Energy: 1.4530803618438557
Energy: 1.3576099404760351
Energy: 1.3564028354325675
Energy: 1.4514304586564244
Energy: 1.527871909666821
Energy: 1.3548840635835937
Energy: 1.3573015975021872
Energy: 1.3579039834979376
Energy: 1.4556599735346467
Energy: 1.216775776555747
Energy: 1.5347296466897806
Energy: 1.36144427501854
Energy: 1.4094559345650592
Energy: 1.0876893251961464
Energy: 1.2160638756095312
Energy: 1.477224629469252
Energy: 1.3754768324086168
Energy: 1.4245725613398523
Energy: 1.2616612305807402
Energy: 1.331981176458782
Energy: 1.4500504858686694
Energy: 1.2197000645483362
Energy: 1.3392811276453227
Energy: 1.3385247934945257
Energy: 1.0836704722594888
Energy: 1.5761749818559596
Energy: 1.4575103608045987
Energy: 1.3272470238808214
Energy: 1.3317557127094062
Energy: 1.3278072394743548
Energy: 1.3734770659628492
Energy: 1.5763101050926531
Energy: 1.0842976149858323
Energy: 1.1195919394450382
Energy: 1.0847564602949213
Energy: 1.3765546221507268
Energy: 1.5744970581681286
Energy: 1.2944538712014355
Energy: 1.3301097253741103
Energy: 1.4982865159105183
Energy: 1.4659478395060626
Energy: 1.4321295018331202
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Energy: 1.4301360444966407
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Energy: 1.416687613795401
Energy: 1.418809511413154
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Energy: 1.430670116872413
Energy: 1.2140006681949147
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Energy: 1.4747243067160216
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Energy: 1.290670777236994
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Energy: 1.4470832833185427
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Energy: 1.562915160405568
Energy: 1.6268470141363438
Energy: 1.4426029268376077
Energy: 1.3853558827568517
Energy: 1.3845567956398352
Energy: 1.3867131516790365
Energy: 1.5302766411976332
Energy: 1.3909114378418799
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Energy: 1.3843655678079605
Energy: 1.4052853064790534
Energy: 1.1597135806136394
Energy: 1.4923549843525472
Energy: 1.388450949258631
Energy: 1.4501975883261518
Energy: 1.1512999638138681
Energy: 1.0466770376204737
Energy: 1.431123582902746
Energy: 1.396347807425513
Energy: 1.4449701847835854
Energy: 1.15244764161731
Energy: 1.2827850670263021
Energy: 1.5728919175187799
Energy: 1.2207565151484738
Energy: 1.3443643537293843
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Energy: 1.5729426022485815
Energy: 1.2207508372602585
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Energy: 1.277743045578135
Energy: 1.2799595847085465
Energy: 1.2705896553557525
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Energy: 1.141225074125915
Energy: 1.1506696927707116
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Energy: 1.1503707486052182
Energy: 1.5705210557048013
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Energy: 1.5350462689737585
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Energy: 1.202683401520901
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Energy: 1.5472026710839755
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Energy: 1.4151001027958865
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Energy: 1.488872978397076
Energy: 1.4940312207414357
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Energy: 1.4435909910653952
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Energy: 1.4608696813764679
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Energy: 1.3926695807384026
Energy: 1.447876421396443
Energy: 1.3887112131390353
Energy: 1.513287975815003
Energy: 1.5059624123760975
Energy: 1.391743286347353
Energy: 1.434254085105443
Energy: 1.4449817760215327
Energy: 1.0910519473310676
Energy: 1.4965324103838051
Energy: 1.3714048350399386
Energy: 1.4468217352785266
Energy: 1.2392930094522947
Energy: 1.2618596610298218
Energy: 1.5900705967283522
Energy: 1.391302102239629
Energy: 1.2867095041823184
Energy: 1.3352008849499961
Energy: 1.2150078449612112
Energy: 1.3404006707308196
Energy: 1.3737151675740786
Energy: 1.2904068952491476
Energy: 1.3344909144707464
Energy: 1.2173426275076065
Energy: 1.2565553991983318
Energy: 1.3732922391693074
Energy: 1.4317618758436792
Energy: 1.235576002586458
Energy: 1.3323824994083038
Energy: 1.2090111966063617
Energy: 1.3811966598430916
Energy: 1.2627708610260684
Energy: 1.2258170685893195
Energy: 1.302307292563251
Energy: 1.2057477081496273
Energy: 1.37444257034037
Energy: 1.5280379368222903
Energy: 1.335519230248374
Energy: 1.2930874038038767
Energy: 1.5026097485522032
Energy: 1.3704050051476027
Energy: 1.5412793557274365
Energy: 1.0925185513309787
Energy: 1.2774087148578732
Energy: 1.5476524799673292
Energy: 1.3613429699013646
Energy: 1.530274391044372
Energy: 1.3942479247212558
Energy: 1.4840519302005677
Energy: 1.4157888794568878
Energy: 1.4120522293856999
Energy: 1.2913624391045
Energy: 1.5474086166004597
Energy: 1.2840211886629158
Energy: 1.5421707604245005
Energy: 1.4287048748657338
Energy: 1.1902009332316996
Energy: 1.338867966906067
Energy: 1.4341240097564507
Energy: 1.366695927891514
Energy: 1.4621551698076305
Energy: 1.0924623781155758
Energy: 1.2606768479293655
Energy: 1.4115206453484193
Energy: 1.4125884900458783
Energy: 1.5692562107427246
Energy: 1.6263643490797102
Energy: 1.4149922870949863
Energy: 1.3611226826199132
Energy: 1.3612335067753385
Energy: 1.387832736788382
Energy: 1.533659967261924
Energy: 1.3548612376502291
Energy: 1.3558067962064027
Energy: 1.3567092103706802
Energy: 1.398268346855333

minimum gb energy = 1.0466770376204737 eV
minimum distance =  2.12927654842722 Angstroms
sigma value = 75


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

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Energy: 1.4131229393280886
Energy: 1.3428095121112968
Energy: 1.4622277906451913
Energy: 1.4072581596508695
Energy: 1.409208473086039
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Energy: 1.362407560365039
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Energy: 1.498714960036017
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Energy: 1.461599008335166
Energy: 1.5264683760995437
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Energy: 1.3530257249982947
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Energy: 1.3051843365649838
Energy: 1.4518700845304429
Energy: 1.435002558432053
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Energy: 1.504766059800962
Energy: 1.4779648676792825
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Energy: 1.3998708120107826
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Energy: 1.714043652785174
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Energy: 1.357186540463523
Energy: 1.4694502025564928
Energy: 1.5190161653270486
Energy: 1.4151527775703383
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minimum gb energy = 1.280869455690359 eV
minimum distance =  2.1394646607451 Angstroms
sigma value = 105


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

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Energy: 1.4131245352261235
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Energy: 1.3938004164775362
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Energy: 1.4211620215854617
Energy: 1.3858178893057576
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Energy: 1.3950560698490042
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Energy: 1.3779534795255426
Energy: 1.3855942617581862
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Energy: 1.3596225777336413
Energy: 1.370800563102721
Energy: 1.4201986744885258
Energy: 1.3658479557715177
Energy: 1.367925500424664
Energy: 1.299763294884583
Energy: 1.371328062876985
Energy: 1.4233782960740928
Energy: 1.3740216592134187
Energy: 1.3945336551567225
Energy: 1.4261707863894755
Energy: 1.4406745706782345
Energy: 1.4829905539910548
Energy: 1.4135693034326131
Energy: 1.4350134206785097
Energy: 1.389698594083757
Energy: 1.4408730389859365
Energy: 1.416446570001512
Energy: 1.4848667031851561
Energy: 1.3990658385916113
Energy: 1.3740099871677705
Energy: 1.3816166448984826
Energy: 1.4224368558762779
Energy: 1.419766909752115
Energy: 1.3944525128179568
Energy: 1.367594396568041
Energy: 1.374324995416118
Energy: 1.4837842146588713
Energy: 1.4774398400727724
Energy: 1.3220315774108053
Energy: 1.3707140146602927
Energy: 1.3660798404293986
Energy: 1.3062791669396312
Energy: 1.4700783873080912
Energy: 1.322099408295705
Energy: 1.3896537782545066
Energy: 1.441473331118006
Energy: 1.3928618815679294
Energy: 1.409640327804308
Energy: 1.4682951645791078
Energy: 1.3680855067244921
Energy: 1.4099829287702852
Energy: 1.4428445907552272
Energy: 1.4123604139212915
Energy: 1.4771559577635605
Energy: 1.4354657010309375
Energy: 1.4102253375899063
Energy: 1.434667071131125
Energy: 1.3734417224689865
Energy: 1.4562460225963272
Energy: 1.304903110270237
Energy: 1.3719152413768507
Energy: 1.364646359518371
Energy: 1.326780760221927
Energy: 1.4104728027518005
Energy: 1.3214270127800471
Energy: 1.401567578611997
Energy: 1.4425116054896263
Energy: 1.495196429914203
Energy: 1.3207790578293237
Energy: 1.3610804710913302
Energy: 1.3276572226755488
Energy: 1.3039680278070958
Energy: 1.4434556000633358
Energy: 1.3007606578050566
Energy: 1.353286230344816
Energy: 1.326221684333662
Energy: 1.477960417396579

minimum gb energy = 1.2763205383208285 eV
minimum distance =  2.20016943503192 Angstroms
sigma value = 165


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

Energy: 1.563421467416323
Energy: 1.295717279374523
Energy: 1.2471968716400812
Energy: 1.2827023976179908
Energy: 1.2898300529741042
Energy: 1.5643870105176079
Energy: 1.266145096553516
Energy: 1.2464582294911013
Energy: 1.2835591241816968
Energy: 1.2920946314379829
Energy: 1.368381227186719
Energy: 1.3225223151375294
Energy: 1.26792037550409
Energy: 1.2791311680355713
Energy: 1.31236428935856
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Energy: 1.3208377724483493
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Energy: 1.2794090147098027
Energy: 1.3094526862514202
Energy: 1.2914720357368443
Energy: 1.3430864584182716
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Energy: 1.3430027882449824
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Energy: 1.334419566616193
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Energy: 1.33529017953504
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Energy: 1.2663341209686063
Energy: 1.26632736815099
Energy: 1.2961859776067683
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Energy: 1.33557392129325
Energy: 1.2836440964872078
Energy: 1.3347822957362825
Energy: 1.3156559275375233
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Energy: 1.3343733955630446
Energy: 1.2872581855224488
Energy: 1.3354623981087312
Energy: 1.3171646912615746
Energy: 1.2911359062793226
Energy: 1.345424674846196
Energy: 1.334093128350396
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Energy: 1.5715210005459104
Energy: 1.3359131287699324
Energy: 1.3465951838872507
Energy: 1.3345844547855772
Energy: 1.3360779136708505
Energy: 1.5690505440451066
Energy: 1.335809837190781
Energy: 1.2676104792127938
Energy: 1.296481148738903
Energy: 1.2801445842235106
Energy: 1.2706578764302154
Energy: 1.3353537313277666
Energy: 1.26676239246155
Energy: 1.2992466927814692
Energy: 1.277700400128864
Energy: 1.2861734846528359
Energy: 1.3423098810556089
Energy: 1.2782977316365263
Energy: 1.2667682843400887
Energy: 1.2673855033262276
Energy: 1.2476149450043357
Energy: 1.3376997883540505
Energy: 1.2798252921614757
Energy: 1.2671899130256923
Energy: 1.2671133462770399
Energy: 1.2474583453596042
Energy: 1.2796632698200021
Energy: 1.3344694263431738
Energy: 1.3184398745103783
Energy: 1.2288437951390987
Energy: 1.2669012036272622
Energy: 1.2845508918641133
Energy: 1.3344698607825085
Energy: 1.3163213467199952
Energy: 1.2335302140512083
Energy: 1.2682027360552055
Energy: 1.368371765034485
Energy: 1.2832653673400989
Energy: 1.2807449212124766
Energy: 1.2487150709716726
Energy: 1.3206251005072562
Energy: 1.380014381875177
Energy: 1.2873510314905132
Energy: 1.2800365471142818
Energy: 1.2475669664369546
Energy: 1.318861714265993

minimum gb energy = 1.2288437951390987 eV
minimum distance =  2.17759953279867 Angstroms
sigma value = 41


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

Energy: 1.1547703092376964
Energy: 1.1609730241802312
Energy: 1.1355299758243191
Energy: 1.1210991493831237
Energy: 1.1461288268635124
Energy: 1.112868812378446
Energy: 1.1448171207710407
Energy: 1.168164732662926
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Energy: 1.1582334588516079
Energy: 1.1564857094615322
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Energy: 1.2204740162644736
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Energy: 1.1646712359185685
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Energy: 1.2601958012656675
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Energy: 1.356458364563395
Energy: 1.2103272565687566
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Energy: 1.240929765260186
Energy: 1.1504703049573881
Energy: 1.2023281049984138
Energy: 1.2884339108620306
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Energy: 1.1510834769007068
Energy: 1.19522844889397
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Energy: 1.1579677483240138
Energy: 1.1906363563120839
Energy: 1.232048110020356
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Energy: 1.1730463615579558
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Energy: 1.1857614257770113
Energy: 1.1780240863122926
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Energy: 1.2039171768307877
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Energy: 1.1801208700946062
Energy: 1.2072018435711194
Energy: 1.2859982537698404
Energy: 1.1790840210138842
Energy: 1.1874328048832297
Energy: 1.195005396094569
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Energy: 1.3325822091541288
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Energy: 1.1436602634751134
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Energy: 1.1655164120162684
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Energy: 1.189430194045696
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Energy: 1.136322639697023
Energy: 1.1660004061690339
Energy: 1.1889903749652342
Energy: 1.1913700118964312
Energy: 1.1377306193239778
Energy: 1.160101142477821
Energy: 1.153087695635527
Energy: 1.168346245286383
Energy: 1.189949419761743
Energy: 1.1816757153300654
Energy: 1.1593315240961626
Energy: 1.1446884476496841
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Energy: 1.1901999591200259
Energy: 1.1761973427331511
Energy: 1.1735783883387831
Energy: 1.1372305565214176
Energy: 1.1344018701423155
Energy: 1.138839204663569
Energy: 1.2348822269546806
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Energy: 1.1341905242751766
Energy: 1.141550305331183
Energy: 1.2341653900529324
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Energy: 1.1341389632076635
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Energy: 1.1710827455718356
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Energy: 1.143580532948533
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Energy: 1.1574286891880734
Energy: 1.169561940513068
Energy: 1.200084929140049
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Energy: 1.1494523867066675
Energy: 1.1981415129429078
Energy: 1.1448523396879282
Energy: 1.1913488787320594
Energy: 1.1774376648057665
Energy: 1.319717444037536
Energy: 1.1888169671830129
Energy: 1.4624625144262535
Energy: 1.1643090093138195
Energy: 1.1592844170945695
Energy: 1.1919318811607627
Energy: 1.1833788033166937
Energy: 1.202361779017213
Energy: 1.1625683728049108
Energy: 1.158031464870337
Energy: 1.14327395058152
Energy: 1.2078771532105699
Energy: 1.153232118265586
Energy: 1.199971575611493
Energy: 1.174497634042676
Energy: 1.1907274524939897
Energy: 1.2202294176095818
Energy: 1.1531737544164244
Energy: 1.1822695826258824
Energy: 1.1588094981034827
Energy: 1.180298915336218
Energy: 1.1638959715181325
Energy: 1.1911918158087833
Energy: 1.199501977505127
Energy: 1.3327149914789163
Energy: 1.1797385936679885
Energy: 1.164780565890708
Energy: 1.1848262136719967
Energy: 1.20202975141306
Energy: 1.331426728018335
Energy: 1.1594207927591624
Energy: 1.2564263234173447
Energy: 1.1361341279787762
Energy: 1.139312512811001
Energy: 1.137092770490977
Energy: 1.1612018193430362
Energy: 1.4626390668889169
Energy: 1.1372498158918478
Energy: 1.1387691390468666
Energy: 1.1817937893986965
Energy: 1.192541086896895
Energy: 1.2304479833995796
Energy: 1.1355071277467395
Energy: 1.154934275268999
Energy: 1.1748903658253822
Energy: 1.1918288018960927
Energy: 1.1363204899066675
Energy: 1.1361959840154627
Energy: 1.155084773025559
Energy: 1.139271606793002
Energy: 1.2115965602060896
Energy: 1.244692769215096
Energy: 1.1445183826198424
Energy: 1.180932841915587
Energy: 1.149249495693935
Energy: 1.1304709691360162
Energy: 1.2001388958616361
Energy: 1.1521132689779607
Energy: 1.1752120497194154
Energy: 1.1741999817434547
Energy: 1.1808656873604348
Energy: 1.13868013286462
Energy: 1.2379644437827533
Energy: 1.2376620437566532
Energy: 1.1507233065535623
Energy: 1.1127296836984204
Energy: 1.1159463226673711
Energy: 1.2177917390445638
Energy: 1.2194787294389324
Energy: 1.1709856724428764

minimum gb energy = 1.1108531876431504 eV
minimum distance =  2.26409417348281 Angstroms
sigma value = 185


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

Energy: 1.1725301093198688
Energy: 1.0372627539229586
Energy: 0.7160688406244373
Energy: 0.7071576652127338
Energy: 0.7779342065285311
Energy: 0.8195294281519172
Energy: 0.952561898159638
Energy: 0.9635396978668874
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Energy: 1.0373667758237544
Energy: 1.0422523920547224
Energy: 0.7190115738313728
Energy: 1.1029613564530287
Energy: 0.5796238279530491
Energy: 0.5815320643411909
Energy: 1.250126838641231
Energy: 0.6101031857658559
Energy: 1.0914357041471652
Energy: 0.7946247962540347
Energy: 0.6916687474411113
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Energy: 0.8354978874187552
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Energy: 0.6069350113775839
Energy: 0.7688358784435353
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Energy: 0.6101767148658791
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Energy: 0.9026021770045924
Energy: 0.7827778051307016
Energy: 0.6938883701665791
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Energy: 0.6058226990528992
Energy: 0.780012971794051
Energy: 0.7427015721174732
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Energy: 0.6970608677884225
Energy: 0.5962568503736104
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Energy: 0.810179065492037
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Energy: 0.6126052836013747
Energy: 0.7017621022232524
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Energy: 1.0364170993659816
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Energy: 0.6008395046120248
Energy: 0.6154841006147306
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Energy: 0.8155182492971339
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Energy: 0.6954047999185432
Energy: 0.6924891417337781
Energy: 0.7436508891357848
Energy: 0.6900448634506458
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Energy: 0.579976663967969
Energy: 0.7860248685542374
Energy: 0.7229308725006884
Energy: 0.6051836948512286
Energy: 0.5973609173972521
Energy: 0.6117602115438904
Energy: 0.8215335214263386
Energy: 0.5800504505576166
Energy: 0.7046874957150185
Energy: 0.5989304922256303
Energy: 0.7806984047844361
Energy: 0.8111328733151564
Energy: 0.5737473878880515
Energy: 0.700060888237954
Energy: 0.7059051209412855
Energy: 0.8224176785296073
Energy: 0.8196319174537287
Energy: 0.6150615481119952
Energy: 0.7149374262018987
Energy: 0.5940651461100311
Energy: 0.8146418022363839
Energy: 0.8110543247268955
Energy: 0.610870089498175
Energy: 1.2052568904163012
Energy: 0.686574396982621
Energy: 0.5814598012995488
Energy: 0.6941613092474229
Energy: 0.6149350891857439
Energy: 0.726688044296639
Energy: 0.5787917787272683
Energy: 0.5745952283641211
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Energy: 0.6113671577958703
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Energy: 0.7702780597518599
Energy: 0.7807670688097045
Energy: 0.6960417493406753
Energy: 0.7078411667539392
Energy: 0.609552423942846
Energy: 0.7847281913558787
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Energy: 0.5934875459288315
Energy: 0.5972250368128357
Energy: 0.7383101940103394
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Energy: 0.5935871127228496
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Energy: 0.5826553503432994
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Energy: 0.6289431029087732
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Energy: 0.5932605607373627
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Energy: 0.7313154572941636
Energy: 0.5976580418826015
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Energy: 0.5801151157024764
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Energy: 1.0069236535536088
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Energy: 0.579503150354165
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Energy: 0.6947098990988309
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Energy: 0.6111840123915272
Energy: 0.7839696123918432
Energy: 0.5817303393055535
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Energy: 0.6027545542226991
Energy: 0.7320682014459585
Energy: 0.7375766675052202
Energy: 0.7718273462656347
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Energy: 0.748698489810805
Energy: 0.6228773091840963
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Energy: 0.8150103682468248
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Energy: 0.7708300314604465
Energy: 0.8089190135547677
Energy: 0.6128966435712474
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Energy: 1.0249323189730954
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Energy: 0.8282271736662388
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Energy: 0.6886027065083955
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Energy: 0.6942765429158543
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Energy: 0.7748853414373817
Energy: 0.6109737168991551
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Energy: 0.5801923345940752
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Energy: 0.6099215760038483
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Energy: 0.7741067344730528
Energy: 0.7744318756446582
Energy: 0.6104300560171534
Energy: 0.7417349481428624
Energy: 0.5814921848842178
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Energy: 0.7012394792232391
Energy: 0.7223095263563533
Energy: 0.6282868231348584
Energy: 0.5818496924604757
Energy: 0.6140466961837292
Energy: 0.7057840199090027
Energy: 0.5968863953509143
Energy: 0.5986298123685372
Energy: 0.7802387884544365
Energy: 0.7836369670165416
Energy: 0.7199094913599026
Energy: 0.6215607490196543
Energy: 0.5891119593245155
Energy: 0.821510689935522
Energy: 0.8125437559620757
Energy: 0.5977749253180276
Energy: 1.1774680047032828
Energy: 0.6882613804514781
Energy: 0.8072577945521564
Energy: 0.7428210239516463
Energy: 0.7192879224680501
Energy: 0.8042232124290386
Energy: 0.5800137040295432
Energy: 1.0334869375705893
Energy: 0.5818314756805071
Energy: 0.599566310198921
Energy: 0.6897407301705228
Energy: 0.7186822427296521
Energy: 0.7704244096542074
Energy: 0.5812088414597703
Energy: 0.885656896108676
Energy: 0.957070544922854
Energy: 0.835235787744964
Energy: 0.8587166631082915
Energy: 0.715645500944382
Energy: 0.7053897126879245
Energy: 0.9514141905930962
Energy: 0.736675620490295
Energy: 0.7855295019730236
Energy: 0.7239529293681631
Energy: 0.8444228465863834
Energy: 0.7085290464794752
Energy: 0.8574231458704393
Energy: 0.8608885839768982
Energy: 0.795437646064583
Energy: 0.7137368242848883
Energy: 0.8489727657436035
Energy: 0.8813616849067512
Energy: 0.6908601733071055
Energy: 0.7192176053797296
Energy: 1.072903052632743
Energy: 0.5794134598480093
Energy: 0.5787502797387118
Energy: 0.7952609898353277
Energy: 0.8328008644403739
Energy: 0.9899517382022494
Energy: 0.6842647272000485
Energy: 1.0413372085975705
Energy: 0.5816420475305916
Energy: 0.5919584476735259
Energy: 0.8721825896262139
Energy: 0.6107995017605263
Energy: 0.7824578018431213
Energy: 0.5817818201650249
Energy: 0.9531590731109524
Energy: 0.959321666159361
Energy: 1.0383095390917452

minimum gb energy = 0.5737473878880515 eV
minimum distance =  2.29949582775758 Angstroms
sigma value = 33


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

Energy: 1.0915690183489644
Energy: 1.057349993978114
Energy: 1.029192873046262
Energy: 1.0393080949933378
Energy: 1.0094108947474338
Energy: 1.011250406081881
Energy: 1.0188369048230799
Energy: 1.0394603740603758
Energy: 1.0656623977916664
Energy: 1.053201660831095
Energy: 1.0357025048846162
Energy: 1.0408927565064618
Energy: 1.041435149904665
Energy: 1.0526890614994007
Energy: 1.0152202098917908
Energy: 1.033755419987314
Energy: 1.0149993306211895
Energy: 1.05778723369867
Energy: 1.0566384693172197
Energy: 1.0706133801330342
Energy: 1.0776686872116228
Energy: 1.0313187720898458
Energy: 1.0291531054303775
Energy: 1.0896233761073102
Energy: 1.0261201872282406
Energy: 1.0132138831893382
Energy: 1.0266001589744407
Energy: 1.025828611152757
Energy: 1.036584184383902
Energy: 1.025385333864799
Energy: 1.0905019245308123
Energy: 1.0739517326774215
Energy: 1.0651500616567715
Energy: 1.031579352342651
Energy: 1.0645777774848568
Energy: 1.12031632366268
Energy: 1.0825699437493002
Energy: 1.0631711164878808
Energy: 1.0869871367364539
Energy: 1.028131667219748
Energy: 1.0479015202988367
Energy: 1.049297331610384
Energy: 1.0760772825877767
Energy: 1.0395865349272768
Energy: 1.0811108993572687
Energy: 1.0549651795516661
Energy: 1.0729958934053319
Energy: 1.0682311205676012
Energy: 1.0399708056831691
Energy: 1.099634496196957
Energy: 1.0602184845477702
Energy: 1.053273015967725
Energy: 1.1515738976643208
Energy: 1.0750344246142407
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Energy: 1.058151048098346
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Energy: 1.150694976410654
Energy: 1.07399423472902
Energy: 1.053386082130317
Energy: 1.0779938524984647
Energy: 1.0517070552035463
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Energy: 1.0627605026859646
Energy: 1.0402496592490043
Energy: 1.1548495636582088
Energy: 1.0513495697261919
Energy: 1.071100981646416
Energy: 1.0630211687889641
Energy: 1.0426800014698945
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Energy: 1.0595230042154102
Energy: 1.039799252637354
Energy: 1.0416157486789137
Energy: 1.0395770403390194
Energy: 1.0404417767499174
Energy: 1.0567147342282486
Energy: 1.0392531592163126
Energy: 1.0437151217941862
Energy: 1.0401342697129348
Energy: 1.0403089763871853
Energy: 1.0797165444381989
Energy: 1.1003899738861564
Energy: 1.064566005969448
Energy: 1.0402224086069618
Energy: 1.0398177437283769
Energy: 1.0803019848586173
Energy: 1.0999387605007023
Energy: 1.057205884420434
Energy: 1.0416583055508448
Energy: 1.1443615139780123
Energy: 1.07886147192411
Energy: 1.0369598496492765
Energy: 1.040529988587962
Energy: 1.0823411745662934
Energy: 1.212300911637575
Energy: 1.0798755787301557
Energy: 1.1746596174771993
Energy: 1.0406499597356786
Energy: 1.0802479136227068
Energy: 1.0405146475973974
Energy: 1.0582050646667982
Energy: 1.0733797337509476
Energy: 1.0391495899731777
Energy: 1.0390885959017944
Energy: 1.0404228731488643
Energy: 1.0580860065010873
Energy: 1.0742451989992505
Energy: 1.0391452411931394
Energy: 1.039415840147863
Energy: 1.0862410219828995
Energy: 1.0665909217536589
Energy: 1.1361630541202237
Energy: 1.0745152682505483
Energy: 1.0269614912730998
Energy: 1.090680121468982
Energy: 1.066108412303181
Energy: 1.0639953122817303
Energy: 1.039683187318894
Energy: 1.0253155963147076
Energy: 1.1444415938907428
Energy: 1.099272151194012
Energy: 1.0396000827935556
Energy: 1.0758426050347825
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Energy: 1.0358314206315065
Energy: 1.054614676982274
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Energy: 1.0386018616495303
Energy: 1.0397143493729177
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Energy: 1.0371678087321876
Energy: 1.086273746707129
Energy: 1.0353759939324645
Energy: 1.0196550920921885
Energy: 1.0139967477963021
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Energy: 1.0951228427437043
Energy: 1.0399049468852013
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Energy: 1.0104617819158688
Energy: 1.0193668499072859
Energy: 1.03920890886821
Energy: 1.0288065147645196
Energy: 1.0564678084684131

minimum gb energy = 1.0091173431533276 eV
minimum distance =  2.2283683649364 Angstroms
sigma value = 219


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

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Energy: 1.3416859606392775
Energy: 1.276789251551055
Energy: 1.3219332348037642
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Energy: 1.2972114459847568
Energy: 1.2965717255049047
Energy: 1.3135247767929474
Energy: 1.2763580978602747
Energy: 1.2986860420088044
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Energy: 1.2963197174201146
Energy: 1.313880450552488
Energy: 1.2768498066191785
Energy: 1.3009096585797226
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Energy: 1.2665545841528276
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Energy: 1.267368130094701
Energy: 1.297765388287605
Energy: 1.2753466032409135
Energy: 1.2979825772935831
Energy: 1.2971062525166768

minimum gb energy = 1.235229477684983 eV
minimum distance =  2.2539013339709 Angstroms
sigma value = 15


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

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Energy: 1.5032444813067287
Energy: 1.4993411123948897
Energy: 1.4703575178686865
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Energy: 1.5202507555027882
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Energy: 1.476597310468733
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Energy: 1.5146398227055016
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Energy: 1.550970690608774
Energy: 1.570660851132668
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minimum gb energy = 1.4309164621039925 eV
minimum distance =  2.20783541459243 Angstroms
sigma value = 293


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

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Energy: 1.46961595713215
Energy: 1.489777605058837
Energy: 1.5234338589228162
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Energy: 1.4852183549288989
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Energy: 1.4994724674408701
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Energy: 1.4752649615430262
Energy: 1.5532225213327169
Energy: 1.5933595391394546
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Energy: 1.4537623919061586
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Energy: 1.583500069695052
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Energy: 1.5433953411056607
Energy: 1.483555723638217
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Energy: 1.5930372809352387
Energy: 1.6647196950014258
Energy: 1.516640753653317
Energy: 1.4813658500569997
Energy: 1.6071250993560307
Energy: 1.5350878871365052
Energy: 1.519302309612318
Energy: 1.592627307804445
Energy: 1.4474833963571614
Energy: 1.5757111923193667
Energy: 1.5609435340944149
Energy: 1.5607168262164792
Energy: 1.5800506799437308
Energy: 1.6168189473349044
Energy: 1.5528113238417987
Energy: 1.4720853939479879
Energy: 1.4773470827237107
Energy: 1.5648939127906105
Energy: 1.6879418308183862
Energy: 1.4481082909921232
Energy: 1.470531293014466
Energy: 1.4740639662296278
Energy: 1.5759211154272028
Energy: 1.417365583908533
Energy: 1.4783620035936607
Energy: 1.448661364845315
Energy: 1.4761190444696901
Energy: 1.580722203735164
Energy: 1.520950276344964
Energy: 1.4497204289467267
Energy: 1.4486371877980173
Energy: 1.4731338498750723
Energy: 1.5951619298063895
Energy: 1.53361289153243
Energy: 1.4921392431286755
Energy: 1.5422259349912812
Energy: 1.5440995768999783
Energy: 1.5970912225231741
Energy: 1.5547637601306712
Energy: 1.478554207631507
Energy: 1.5256958217430887
Energy: 1.512118315458423
Energy: 1.5931917364025119
Energy: 1.5449350903610384
Energy: 1.5149750199454215
Energy: 1.487518192141189
Energy: 1.5949443017002998
Energy: 1.5156439940974855
Energy: 1.568403861553046
Energy: 1.5190622722054994
Energy: 1.4875991401113349
Energy: 1.5942035287668206
Energy: 1.4752475356315673
Energy: 1.5802053284610826
Energy: 1.520327244359326
Energy: 1.5250427075426498
Energy: 1.5716982923669225
Energy: 1.591208344952982
Energy: 1.573555881039323
Energy: 1.4881924361886154
Energy: 1.5484839587962618
Energy: 1.5832987706582062
Energy: 1.5937092544002496
Energy: 1.5373700554191185
Energy: 1.636231710658336
Energy: 1.4988438568042322
Energy: 1.5914110791202054
Energy: 1.5757571831188852
Energy: 1.5739405789593317
Energy: 1.788332277915062
Energy: 1.4641140481682373
Energy: 1.5929925873561475
Energy: 1.5903468280510231
Energy: 1.5963459847842614

minimum gb energy = 1.400858065127599 eV
minimum distance =  2.2155272458109 Angstroms
sigma value = 293


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

Energy: 1.3750711069598323
Energy: 1.49095150378132
Energy: 1.5764166784239724
Energy: 1.508812007369961
Energy: 1.4912816796301487
Energy: 1.3766405477641674
Energy: 1.5088671202634074
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Energy: 1.5084586643618423
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Energy: 1.3798431154652049
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Energy: 1.4508287098516341
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Energy: 1.5078165964284584
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Energy: 1.5093589273885892
Energy: 1.447075667874468
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Energy: 1.507868140084367
Energy: 1.4514938844033227
Energy: 1.447458957054742
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Energy: 1.6147664754072073
Energy: 1.613656191517038
Energy: 1.378769309357826
Energy: 1.3815139013951867
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Energy: 1.5776386704633578
Energy: 1.4344318607802826
Energy: 1.507247582107112
Energy: 1.4483264821183135
Energy: 1.4152189525671377
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Energy: 1.3834183289253639
Energy: 1.5066940858030762
Energy: 1.4510940960491205
Energy: 1.4141086811351824
Energy: 1.5080021019739773
Energy: 1.5727501989127457
Energy: 1.57432989985102
Energy: 1.377634265506854
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Energy: 1.5064220429859647
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Energy: 1.5062332824992
Energy: 1.3815998151405016
Energy: 1.5726852673678386
Energy: 1.447932250277509
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Energy: 1.5749232704608154
Energy: 1.5750175805220097
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Energy: 1.499465742673143
Energy: 1.3753607203279574
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Energy: 1.5592417811479629
Energy: 1.5080580100653636
Energy: 1.4911255507658914
Energy: 1.3768433283375239
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Energy: 1.508899446959789
Energy: 1.4915167544003696
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Energy: 1.379084950354112
Energy: 1.3819358648494189
Energy: 1.506939523432113
Energy: 1.6152375100113054
Energy: 1.6147448967041524
Energy: 1.3780791081351018
Energy: 1.4498416217267687
Energy: 1.5081010712656966
Energy: 1.5722933380017527
Energy: 1.5081449299516156
Energy: 1.4937564595929216
Energy: 1.37789871683544
Energy: 1.4183158062037253
Energy: 1.447622267134988
Energy: 1.5072356971607028
Energy: 1.4495255543744296
Energy: 1.3788655034466863
Energy: 1.4523075307061397
Energy: 1.5093127331534877
Energy: 1.5082157789148
Energy: 1.6145226872717517
Energy: 1.5076369064216668
Energy: 1.4490071783271214
Energy: 1.4915156988937917
Energy: 1.5089693548308167
Energy: 1.6131234446759561
Energy: 1.5082498716656132
Energy: 1.4480464808960145
Energy: 1.4911502309630844
Energy: 1.5776455550405073
Energy: 1.4348936789277926
Energy: 1.5073052173796928
Energy: 1.4483792436990557
Energy: 1.4164685518113729
Energy: 1.5795170815602657
Energy: 1.3843697848528886
Energy: 1.506792089427506
Energy: 1.4484075576215578
Energy: 1.414738488399187
Energy: 1.5078577947041383
Energy: 1.5712047072026412
Energy: 1.5772183862530165
Energy: 1.3777927009198954
Energy: 1.4926059638692282
Energy: 1.5082418602226302
Energy: 1.574487442864773
Energy: 1.4476023313615773
Energy: 1.3767323366601547
Energy: 1.4919208677106153
Energy: 1.4480577610111594
Energy: 1.4915677840429993
Energy: 1.5066467794455034
Energy: 1.3838355341279054
Energy: 1.571219088803246
Energy: 1.4494523842172762
Energy: 1.5068906683622905
Energy: 1.5064441958770496
Energy: 1.3818619945701511
Energy: 1.4498405012917646
Energy: 1.4480545089424985
Energy: 1.446102565044473
Energy: 1.574511812879755
Energy: 1.5079915415512655
Energy: 1.5078805547328924
Energy: 1.4476128017768297
Energy: 1.4456458409332578
Energy: 1.5756779651110147
Energy: 1.5083254513352073
Energy: 1.508756081815853
Energy: 1.379580497698935
Energy: 1.5071643364631195
Energy: 1.5079024615748304
Energy: 1.5785133367912718
Energy: 1.5727454220159192
Energy: 1.381141864877956
Energy: 1.507376329543911
Energy: 1.4333680499485972
Energy: 1.5761126585485443
Energy: 1.572915544265455

minimum gb energy = 1.3750711069598323 eV
minimum distance =  2.23364821738466 Angstroms
sigma value = 15


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

Energy: 1.461883095802451
Energy: 1.575586945753238
Energy: 1.5541423011935676
Energy: 1.5177084118127324
Energy: 1.592681787980241
Energy: 1.3932622469692415
Energy: 1.6161409689505108
Energy: 1.5713143655062194
Energy: 1.5109486511830184
Energy: 1.485175348253363
Energy: 1.4049232233314815
Energy: 1.5073333444332568
Energy: 1.4422453180245178
Energy: 1.4654313334581734
Energy: 1.6101212111461143
Energy: 1.5477755073166128
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Energy: 1.5983026053566058
Energy: 1.560886807247117
Energy: 1.486168601421581
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Energy: 1.5758028816232041
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Energy: 1.5087807691599415
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Energy: 1.4330067180650714
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Energy: 1.554915678240121
Energy: 1.6164576881424746
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Energy: 1.4381994857014453
Energy: 1.5723097939769624
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Energy: 1.6161707333158888
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Energy: 1.5722602185048669
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Energy: 1.6067682408949815
Energy: 1.5755026522273243
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Energy: 1.5843057029241656
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Energy: 1.5472303634733011
Energy: 1.5854433197240234
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Energy: 1.4330043691970145
Energy: 1.401491343570376
Energy: 1.527079020577299
Energy: 1.614425148557675
Energy: 1.4728182354183947
Energy: 1.4327374710562326
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Energy: 1.4290255676984098
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Energy: 1.4287552333597255
Energy: 1.4284880732411498
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Energy: 1.6439288971231065
Energy: 1.4417015225167267
Energy: 1.465769510957794
Energy: 1.437136907284676
Energy: 1.4401979432718146
Energy: 1.5216445581183609
Energy: 1.429038359524109
Energy: 1.4417911871312104
Energy: 1.4365804669718563
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Energy: 1.551101017835188
Energy: 1.425716711843601
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Energy: 1.5743610463845068
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Energy: 1.5340019311293358
Energy: 1.579618445162204
Energy: 1.433644387940875
Energy: 1.3924036148822585
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Energy: 1.392057787025302
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Energy: 1.5279657793305308
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Energy: 1.5471952576793653
Energy: 1.5319732630112346
Energy: 1.5398035323936337
Energy: 1.5751922337101965
Energy: 1.5737795226713984
Energy: 1.5578296872677944
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Energy: 1.5891480556049125
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Energy: 1.571137163900621
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Energy: 1.5719345448882236
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Energy: 1.592531587623541
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Energy: 1.646460632387383
Energy: 1.4276080101355697
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Energy: 1.6233237664876974
Energy: 1.6743556549003311
Energy: 1.6481617485443707
Energy: 1.4115844673235853
Energy: 1.4288756242347644
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Energy: 1.4120499095174797
Energy: 1.4118966087149272
Energy: 1.427770493880082
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Energy: 1.4121500183382405
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Energy: 1.5918758027402269
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Energy: 1.6054064790045288
Energy: 1.6142480530578134
Energy: 1.5280060137858555
Energy: 1.6660900227073028
Energy: 1.5004608125382388
Energy: 1.4307016234838525
Energy: 1.428970840662221
Energy: 1.500413503207949
Energy: 1.6616973586320367
Energy: 1.456683818324428
Energy: 1.4185021454682434
Energy: 1.5478710594474039
Energy: 1.6349728699441386
Energy: 1.6338482711741622
Energy: 1.4218586115159253
Energy: 1.428097865200355
Energy: 1.4266850496395416
Energy: 1.6344832951892045
Energy: 1.6000327270669674
Energy: 1.4222768447758918
Energy: 1.4218453581904755
Energy: 1.4229701621445383
Energy: 1.5793033422678564
Energy: 1.4977150597385662
Energy: 1.4328865578886094
Energy: 1.4272593069362411
Energy: 1.5114696711900415
Energy: 1.58079355147466
Energy: 1.6111041988577437
Energy: 1.4225550666001416
Energy: 1.4115870288378176
Energy: 1.510142568704866
Energy: 1.6343304772744054
Energy: 1.3909971593216695
Energy: 1.3940492465148278
Energy: 1.4361443475856328
Energy: 1.510563659855597
Energy: 1.5967434978915214
Energy: 1.4074393936319947
Energy: 1.427928509147813
Energy: 1.4648912691454135
Energy: 1.5157576637625656
Energy: 1.4336534965774796
Energy: 1.5070245791344294
Energy: 1.5385877199628624
Energy: 1.434667548555726
Energy: 1.506267665834277
Energy: 1.433924304279697
Energy: 1.5591485060720192
Energy: 1.4585727930928045
Energy: 1.463470004615133
Energy: 1.491876031720924
Energy: 1.4853795536594083
Energy: 1.5111191436199916
Energy: 1.571235129600974
Energy: 1.6048532854370408
Energy: 1.57074034994833
Energy: 1.4852433798006186
Energy: 1.5117438863820023
Energy: 1.5684285829585212
Energy: 1.605278502332043
Energy: 1.5109905845454692
Energy: 1.6271458697380803
Energy: 1.5732228625146318
Energy: 1.5698953578055106
Energy: 1.5445309069929771
Energy: 1.5021202805795917
Energy: 1.6125104365293519
Energy: 1.570309921811992
Energy: 1.5676651063635407
Energy: 1.5428466881306184
Energy: 1.4972529368946175
Energy: 1.5882239375474831
Energy: 1.6237831426635827
Energy: 1.7326925536290783
Energy: 1.647963095860278
Energy: 1.5862571441592825
Energy: 1.5997429406012729
Energy: 1.6262989789158073
Energy: 1.615263695646099
Energy: 1.6901139561198324
Energy: 1.5876251517797761
Energy: 1.6317215648491603
Energy: 1.646019886952256
Energy: 1.652682914062955
Energy: 1.6482360029194805
Energy: 1.4331385782265416
Energy: 1.6268962063245325
Energy: 1.6467685901724682
Energy: 1.6534080118889063
Energy: 1.6506725972111116
Energy: 1.4551289516940094
Energy: 1.4276674857140996
Energy: 1.5959627593269359
Energy: 1.431120835925465
Energy: 1.4079796216493512
Energy: 1.431545637161569
Energy: 1.4297093864205475
Energy: 1.6192873139822643
Energy: 1.4274932707534023
Energy: 1.4077125808175124
Energy: 1.4351777466595548
Energy: 1.4339226829268643
Energy: 1.528407111953586
Energy: 1.6301122238830004
Energy: 1.4282105135221028
Energy: 1.4092932511813685
Energy: 1.5301943084837433
Energy: 1.5290519886635625
Energy: 1.6267686355474
Energy: 1.4092582024061602
Energy: 1.4113530896941149
Energy: 1.607975138684392
Energy: 1.519502846451829
Energy: 1.4353104684088072
Energy: 1.4341151333059547
Energy: 1.5445894355560044
Energy: 1.5950276481155476
Energy: 1.519492980230756
Energy: 1.4382490597033826
Energy: 1.429814631207555
Energy: 1.5655164887403992
Energy: 1.4055062273671728
Energy: 1.4233442986520266
Energy: 1.5897493504787448
Energy: 1.6436638034984592
Energy: 1.4836373007161143
Energy: 1.4205317656348113
Energy: 1.4248943991880068
Energy: 1.5933833419013708
Energy: 1.6436251055712263
Energy: 1.4575450156493366
Energy: 1.4402580407177392
Energy: 1.4110480590645949
Energy: 1.4287098462079373
Energy: 1.6154006151830977
Energy: 1.4250156024764813
Energy: 1.4362253142967305
Energy: 1.429404189411704
Energy: 1.4379291730413069
Energy: 1.612395729234692
Energy: 1.4267716620220434
Energy: 1.4374411928541453
Energy: 1.5819701204749919
Energy: 1.574612881102396
Energy: 1.5789721629831452
Energy: 1.6449438110538637
Energy: 1.4388730388003452
Energy: 1.6372001761519555
Energy: 1.5734547960309198
Energy: 1.5046876712896708
Energy: 1.6248406755913998
Energy: 1.441546043929955
Energy: 1.6329705159278114
Energy: 1.50302965190828
Energy: 1.4862960352506072
Energy: 1.3869016011746007
Energy: 1.3978077883612645
Energy: 1.617498496106268
Energy: 1.5724688932559048
Energy: 1.5459294819095868
Energy: 1.3871281996251887

minimum gb energy = 1.3869016011746007 eV
minimum distance =  2.19643320673706 Angstroms
sigma value = 437


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

Energy: 1.8084286892004349
Energy: 1.519608224052985
Energy: 1.4714085010218385
Energy: 1.576500676815678
Energy: 1.5196637975394935
Energy: 1.808604442927044
Energy: 1.5881792167726478
Energy: 1.4696887195079942
Energy: 1.6244103466444033
Energy: 1.5217621591829076
Energy: 1.5354539742059696
Energy: 1.596093770565799
Energy: 1.5466871649522125
Energy: 1.5328105075729455
Energy: 1.5889473126193558
Energy: 1.4364696808872555
Energy: 1.596749589324193
Energy: 1.5435614686972834
Energy: 1.60061198291425
Energy: 1.4802712409378682
Energy: 1.4402419858980728
Energy: 1.456235804973874
Energy: 1.4705313932628394
Energy: 1.3992010870704634
Energy: 1.4268980269756024
Energy: 1.4567830162745752
Energy: 1.5979603424143236
Energy: 1.4675915589828958
Energy: 1.3956088608019146
Energy: 1.4272042102879101
Energy: 1.3932517977959267
Energy: 1.398865280412216
Energy: 1.4662162202864497
Energy: 1.5248636371494342
Energy: 1.432018241759934
Energy: 1.3971638823596972
Energy: 1.3976333274662145
Energy: 1.4663603400897287
Energy: 1.5112494032924506
Energy: 1.4270416991358108
Energy: 1.52235566330254
Energy: 1.5970973967747357
Energy: 1.4761121574556173
Energy: 1.437692314278227
Energy: 1.5810639856225597
Energy: 1.5248965540587658
Energy: 1.5973988872508034
Energy: 1.4733356464721077
Energy: 1.4359596712222182
Energy: 1.651170358462752
Energy: 1.5370717442233595
Energy: 1.3884803681418858
Energy: 1.431401177218444
Energy: 1.5269036159920972
Energy: 1.8110923769000546
Energy: 1.491650417242474
Energy: 1.3854855070764454
Energy: 1.4376097525513452
Energy: 1.5240385890959351
Energy: 1.8121546741807812
Energy: 1.4350797901988077
Energy: 1.4339996978285565
Energy: 1.430900411827923
Energy: 1.536653363157308
Energy: 1.5965582790513
Energy: 1.4341216076774483
Energy: 1.4303371299459486
Energy: 1.432695288548622
Energy: 1.535720980123058
Energy: 1.597029754105793
Energy: 1.4526019010925624
Energy: 1.4371591412989038
Energy: 1.3833409406144777
Energy: 1.6141903571862224
Energy: 1.600090057057707
Energy: 1.4565793080717777
Energy: 1.435039560689894
Energy: 1.383773334980687
Energy: 1.6123665302741401
Energy: 1.5996958780425536
Energy: 1.3940569219753258
Energy: 1.4646588218587298
Energy: 1.5883184384711215
Energy: 1.4685214958067807
Energy: 1.3933861593190868
Energy: 1.3890070075942444
Energy: 1.6016566411158966
Energy: 1.5877690114119738
Energy: 1.4681857492238397
Energy: 1.3892278763037376
Energy: 1.468816100000236
Energy: 1.479571384828835
Energy: 1.332631558014016
Energy: 1.544979659543127
Energy: 1.6003551847507202
Energy: 1.5246436734066708
Energy: 1.474408023864643
Energy: 1.3347117892881282
Energy: 1.713221438737921
Energy: 1.599798090885684
Energy: 1.3245081133316237
Energy: 1.346874794985338
Energy: 1.5904861081903812
Energy: 1.6622507207675548
Energy: 1.3268685452405078
Energy: 1.3228769439089143
Energy: 1.3286476080348364
Energy: 1.589077622777816
Energy: 1.66491915943703
Energy: 1.3979868837684588
Energy: 1.3469578628891004
Energy: 1.3422478641765905
Energy: 1.3286204274199827
Energy: 1.651581211665501
Energy: 1.3256530113089098
Energy: 1.3467396777840916
Energy: 1.3249938363451896
Energy: 1.3486987988429642
Energy: 1.5868624808444203
Energy: 1.324245993908063
Energy: 1.3277508392441968
Energy: 1.3299079472344142
Energy: 1.6055742246243956
Energy: 1.6010793667892451
Energy: 1.5869227109541189
Energy: 1.3247799114157688
Energy: 1.381935991713574
Energy: 1.6095452711797755
Energy: 1.599010820099086
Energy: 1.5857264113790508
Energy: 1.4667978123292156
Energy: 1.591191043635583
Energy: 1.467572627383508
Energy: 1.328377309048501
Energy: 1.3214440860824466
Energy: 1.5322773512768486
Energy: 1.5908980910556851
Energy: 1.8024338713509023
Energy: 1.3271485312333118
Energy: 1.4970982828145118

minimum gb energy = 1.3214440860824466 eV
minimum distance =  2.14148571989 Angstroms
sigma value = 33