Model name: model_name=EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000
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=3.5181212425231942
cohesive_energy=4.385853711507128
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=[2.35995811658298e-19, 3.0629291365168197e-19, 3.64317342628626e-19, 4.1799827075079597e-19, 4.647433762243799e-19, 5.04419678388756e-19, 5.3805257028968395e-19, 5.65757408644812e-19, 5.8677315955299e-19, 6.040045692516599e-19, 6.19380658408158e-19, 6.330199880933999e-19, 6.451340456230739e-19, 6.5584940295126595e-19, 6.65294234208696e-19, 6.737425115997779e-19, 6.81434561619612e-19, 6.88258231903818e-19, 6.9372485857902595e-19, 6.973217451223559e-19, 6.994686618119159e-19, 7.010580210328439e-19, 7.022163947392259e-19, 7.02636165017334e-19, 7.02184351206546e-19, 7.00753607472384e-19, 6.982285770971999e-19, 6.944923011867119e-19, 6.89439036083076e-19, 6.82955027245278e-19, 6.748255830043619e-19, 6.64640546142024e-19, 6.516805393495979e-19, 6.34739123621682e-19, 6.118312021087499e-19, 5.79781260722214e-19, 5.33539238711706e-19, 4.6451907149562e-19, 3.5786858167677597e-19, 1.8800421276346198e-19, -9.016505356096439e-20, -5.57160128826768e-19, -1.3584086634901678e-18, -2.7622326258477e-18, -5.27785822419012e-18, -9.8780598192636e-18, -1.8342519194349e-17, -3.4577375026670996e-17, -6.75714791036232e-17, -1.398777105960432e-16]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.020206946023872855
Energy: 0.16356775630165507
Energy: 0.16368573113519752
Energy: 0.16334634692673958
Energy: 0.025373438610581472
Energy: 0.022096601801348308
Energy: 0.16272638797622072
Energy: 0.16485142069814054
Energy: 0.1636313700595566
Energy: 0.02417377569511744
Energy: 0.16293902876679525
Energy: 0.16315363352928278
Energy: 0.16312801728194495
Energy: 0.16367142214688202
Energy: 0.16362398698847866
Energy: 0.16318063459118834
Energy: 0.16347143391232152
Energy: 0.16267969223309056
Energy: 0.1639302876900969
Energy: 0.16413025486001726
Energy: 0.16313633510448558
Energy: 0.025219297643075577
Energy: 0.02077061447574474
Energy: 0.16437373289512225
Energy: 0.16331600939249713
Energy: 0.1628024858507481
Energy: 0.023948687007268477
Energy: 0.02074525745266814
Energy: 0.16314893902169533
Energy: 0.16432883317422445
Energy: 0.16359980075441966
Energy: 0.021779501064285
Energy: 0.021643745242706368
Energy: 0.1627877288129975
Energy: 0.16296832468097544
Energy: 0.16412488492138003
Energy: 0.022198950616303316
Energy: 0.02103661500834048
Energy: 0.16214425075140265
Energy: 0.16271912830909055
Energy: 0.1632227101266211
Energy: 0.16351076413417062
Energy: 0.16376322929173978
Energy: 0.022120049045809942
Energy: 0.021088212798046867
Energy: 0.16292099312198002
Energy: 0.16400228564676086
Energy: 0.1636571144324028
Energy: 0.023649771509443092
Energy: 0.16213420381834567
Energy: 0.16294829855645793
Energy: 0.16296307777555394
Energy: 0.16591150410814778
Energy: 0.021781430778694464
Energy: 0.020841710130714713
Energy: 0.16258657894876852
Energy: 0.16285399207297901
Energy: 0.16435712981274989
Energy: 0.021378527226448184
Energy: 0.020855360044795823
Energy: 0.02083545284217737
Energy: 0.16317727315340855
Energy: 0.16317727315340855
Energy: 0.16317727315340855
Energy: 0.16317727315340855
Energy: 0.16317727315340855
Energy: 0.16286397918505532
Energy: 0.16299531096348033
Energy: 0.16591956234488717
Energy: 0.16426193412279716

minimum gb energy = 0.020206946023872855 eV
minimum distance =  2.45430709199636 Angstroms
sigma value = 3


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

Energy: 1.853237461840826
Energy: 1.3267005120916084
Energy: 1.3435749658528195
Energy: 1.3438549575139542
Energy: 1.3267427564392642
Energy: 1.3286952688845244
Energy: 1.3262600331836298
Energy: 1.3454442022786517
Energy: 1.343966497491451
Energy: 1.3553179138660303
Energy: 1.3622015398661238
Energy: 1.4715248040728262
Energy: 1.352893399948522
Energy: 1.1888989811138277
Energy: 1.0653801523157997
Energy: 1.1329497042189198
Energy: 1.3304657106647841
Energy: 1.3434471259529221
Energy: 1.1893678721767782
Energy: 1.274360989306998
Energy: 1.3346357709189625
Energy: 1.4143892333942911
Energy: 1.1600701164096583
Energy: 1.0643880404285861
Energy: 1.0839703311018964
Energy: 1.0640930975471339
Energy: 1.4432946136733669
Energy: 1.1445767077316014
Energy: 1.3192799762991927
Energy: 1.2497855752145761
Energy: 1.3115830484874014
Energy: 1.3427929752407302
Energy: 1.3293644522020025
Energy: 1.0637730519643587
Energy: 1.080965226339073
Energy: 1.0647002231180904
Energy: 1.349344770808749
Energy: 1.3196384183161058
Energy: 1.2512606514105014
Energy: 1.243334043723138
Energy: 1.3804089072355035
Energy: 1.3225135860740505
Energy: 1.3827095233318085
Energy: 1.3772927888151392
Energy: 1.1947186313801137
Energy: 1.3639913536383421
Energy: 1.3233113496048554
Energy: 1.4808476241437358
Energy: 1.1830762801966692
Energy: 1.2133642580284278
Energy: 1.3379905951881041
Energy: 1.3268101126240026
Energy: 1.4583645588600935
Energy: 1.1895137702462506
Energy: 1.3913375370890566
Energy: 1.3372027563897722
Energy: 1.4103966311031249
Energy: 1.453187239029011
Energy: 1.1788594876798284
Energy: 1.3918142240744933
Energy: 1.3865062171610778
Energy: 1.3867855291967235
Energy: 1.280007560693199
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Energy: 1.3829515714889165
Energy: 1.388338205193657
Energy: 1.4212008583768088
Energy: 1.0966477077837269
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Energy: 1.3979685889561873
Energy: 1.48768527470816
Energy: 1.3778655086051204
Energy: 1.3671481134526275
Energy: 1.2383903988030736
Energy: 1.3736394224777893
Energy: 1.3816571641608342
Energy: 1.3845617868350377
Energy: 1.3715596219772501
Energy: 1.3663914128561703
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Energy: 1.3821734763680065
Energy: 1.2118133459324334
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Energy: 1.37342691565244
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Energy: 1.0978089477590842
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Energy: 1.400438354861729
Energy: 1.3624000809196457
Energy: 1.2816302225169238
Energy: 1.3741241431764797
Energy: 1.3993277315389783
Energy: 1.368788569699556
Energy: 1.0876925663122259
Energy: 1.1022582229819446
Energy: 1.3808153605737916
Energy: 1.3847012438162578
Energy: 1.3807534130154564
Energy: 1.7955895738145171
Energy: 1.3845023081237413
Energy: 1.3786819237568588
Energy: 1.3781480647266793
Energy: 1.3702326888011318
Energy: 1.374477368550151
Energy: 1.3698482209238316
Energy: 1.3770913737788912
Energy: 1.377210227796891
Energy: 1.3999336557192172
Energy: 1.2590122677227777
Energy: 1.3844135184278534
Energy: 1.3788496353200395
Energy: 1.385566889919729
Energy: 1.1036122597374003
Energy: 1.1304522681165514
Energy: 1.377162632301412
Energy: 1.385334517897479
Energy: 1.4703272735975872
Energy: 1.3030920959933718
Energy: 1.3070189355632338
Energy: 1.4173631019989321
Energy: 1.1385534275456841
Energy: 1.1817001772431652
Energy: 1.0880106566702283
Energy: 1.1628944470719427
Energy: 1.2328740890027472
Energy: 1.1536739480822482
Energy: 1.2000949737131765
Energy: 1.2659304344652662
Energy: 1.3469424204132543
Energy: 1.1618533087335856
Energy: 1.1488403732274992
Energy: 1.1590334560148343
Energy: 1.1950204962145345
Energy: 1.0831292764392326
Energy: 1.1583174662167475
Energy: 1.1337347492717893
Energy: 1.1691735563574694
Energy: 1.194833420304328
Energy: 1.3847063570088214
Energy: 1.380150799607521
Energy: 1.4382171207094931
Energy: 1.1848979522395173
Energy: 1.1764993844869447
Energy: 1.3760600480011302
Energy: 1.3854901859626076
Energy: 1.4416583655671016
Energy: 1.1801739322355769
Energy: 1.095935379717192
Energy: 1.4037276429252263
Energy: 1.346004177764104
Energy: 1.4355397586586176
Energy: 1.1839698265256187
Energy: 1.4347730140773156
Energy: 1.341395735641812
Energy: 1.3360258656627724
Energy: 1.4411005735451694
Energy: 1.3702406005949328
Energy: 1.4453375249932499
Energy: 1.389601620077325
Energy: 1.300493169514664
Energy: 1.2780061452106095
Energy: 1.096105895246766
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Energy: 1.39308764278733
Energy: 1.3780491179482242
Energy: 1.0656556131412236
Energy: 1.1977642814828109
Energy: 1.3793890848808463
Energy: 1.485211390683634
Energy: 1.3857574015684628
Energy: 1.420213157161024
Energy: 1.23770826967287
Energy: 1.386773706019987
Energy: 1.382329235708011
Energy: 1.3685334262866238
Energy: 1.2054286161607997
Energy: 1.2365643040186916
Energy: 1.3782865629924757
Energy: 1.4031825996658949
Energy: 1.2317062922247692
Energy: 1.1450547949185559
Energy: 1.1284613462293753
Energy: 1.377251899170871
Energy: 1.3779599854314286
Energy: 1.2233190407379382
Energy: 1.1443676226495065
Energy: 1.2173251185081684
Energy: 1.374292068368397
Energy: 1.2259553111186081
Energy: 1.2005571531067276
Energy: 1.1939963324877465
Energy: 1.2774446277926288
Energy: 1.1332714492326021
Energy: 1.2278463034653593
Energy: 1.1923900956494378
Energy: 1.202847360327832
Energy: 1.2573746821858653
Energy: 1.1322070677548943
Energy: 1.232006173854067
Energy: 1.2057529900006005
Energy: 1.2493354243009636
Energy: 1.2715960052894448
Energy: 1.1330143554526426
Energy: 1.2080263985793958
Energy: 1.2009544019570042
Energy: 1.1868109595641108
Energy: 1.1784746301259563
Energy: 1.1320547682184514
Energy: 1.2282442192061185
Energy: 1.190439495391742
Energy: 1.2074214772269678
Energy: 1.3297683601329267
Energy: 1.337352322963514
Energy: 1.0653654578020744
Energy: 1.0713024277366376
Energy: 1.1829965935273796
Energy: 1.3817436151621607
Energy: 1.350530747989716
Energy: 1.600089525528986
Energy: 1.379327972104272
Energy: 1.4872409832546052
Energy: 1.3440248661800276
Energy: 1.3370839639392011
Energy: 1.0652435303537202
Energy: 1.0652554879018126
Energy: 1.270491139568451
Energy: 1.3461790355521623
Energy: 1.4038842294306073
Energy: 1.359985147093076
Energy: 1.2535259036606266
Energy: 1.3442669287619227
Energy: 1.3441744262405007
Energy: 1.327253243307036
Energy: 1.0709388349620284
Energy: 1.0663985676221321
Energy: 1.3526640457306873
Energy: 1.3551512134351242
Energy: 1.3889930854326178
Energy: 1.3221981039823059
Energy: 1.3427553297085446
Energy: 1.3469820823265477
Energy: 1.34941197535143
Energy: 1.3275657754763808
Energy: 1.3288661529628365
Energy: 1.3276176781718103
Energy: 1.342432663774112
Energy: 1.3442737598592653
Energy: 1.3666211671569348

minimum gb energy = 1.0637730519643587 eV
minimum distance =  2.10494782772802 Angstroms
sigma value = 75


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

Energy: 2.405682189118846
Energy: 1.4321152279709288
Energy: 1.2957719580049376
Energy: 1.4635583402019705
Energy: 1.4192698664956138
Energy: 1.4306420854196196
Energy: 1.4200575086893683
Energy: 1.3075846344626516
Energy: 1.4778843520338725
Energy: 1.4408372417535806
Energy: 1.3272867311957868
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Energy: 1.309329339688831
Energy: 1.2917394837397373
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Energy: 1.435549746840839
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Energy: 1.2964555832231541
Energy: 1.4364251180787062
Energy: 1.569377152143088
Energy: 1.5162189270603743
Energy: 1.3329027440569337
Energy: 1.3620083501732165
Energy: 1.2488961930676181
Energy: 1.5689469133131375
Energy: 1.5293208830513931
Energy: 1.3673145530102317
Energy: 1.2768648435364431
Energy: 1.3536711932301766
Energy: 1.2560873841561602
Energy: 1.279883989419994
Energy: 1.2516989405243537
Energy: 1.3909969527997796
Energy: 1.2643453370255513
Energy: 1.331989412394184
Energy: 1.2518761371396006
Energy: 1.4198169941974161
Energy: 1.3922832906709042
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Energy: 1.25594232667053
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Energy: 1.5355270788300976
Energy: 1.4157123147005783
Energy: 1.4719844033366065
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Energy: 1.5066433312028824
Energy: 1.5432749640578958
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Energy: 1.4531075571697203
Energy: 1.4828551070428364
Energy: 1.4523107659277275
Energy: 1.3350929900161357
Energy: 1.5081365566441585
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Energy: 1.3289624773422992
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Energy: 1.3160150042221297
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Energy: 1.5637201943182966
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Energy: 1.2683772659864039
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Energy: 1.565596365231731
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Energy: 1.4676999338931742
Energy: 1.4501476738211518
Energy: 1.5164410890321198
Energy: 1.5787217207506392
Energy: 1.4670352232798964
Energy: 1.2677106828028943
Energy: 1.4593666055684476
Energy: 1.3009663000189324
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Energy: 1.4515895322074337
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Energy: 1.4145632707531057
Energy: 1.322713556033612
Energy: 1.3566816512617832
Energy: 1.3864411657394713
Energy: 1.5292913288107937
Energy: 1.3253275156070643
Energy: 1.2865577010036944
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Energy: 1.3012123700206146
Energy: 1.3909217551279025
Energy: 1.3273666717607733
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Energy: 1.4167743383837517
Energy: 1.520447924207686
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Energy: 1.3638813959695097
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Energy: 1.4839312874480686
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Energy: 1.2764474219792132
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Energy: 1.2856807006134867
Energy: 1.277929246971622
Energy: 1.5297391220186873
Energy: 1.2905858684106573
Energy: 1.5012451951474106
Energy: 1.5329112922633765
Energy: 1.474173936703363
Energy: 1.4632601648209886
Energy: 1.464525632976721
Energy: 1.4772344420760122
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minimum gb energy = 1.228315147755219 eV
minimum distance =  2.14571972117089 Angstroms
sigma value = 105


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

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Energy: 1.3938057514343463
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Energy: 1.4357662251639363
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Energy: 1.2759656500893128
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Energy: 1.3860747240262532
Energy: 1.3885902214551888
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Energy: 1.399447545019782
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Energy: 1.3963055384528296
Energy: 1.3806582175698812
Energy: 1.3978173719446205
Energy: 1.3367343387503252
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Energy: 1.4236668777248738
Energy: 1.2814020566324584
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Energy: 1.2966087100192505
Energy: 1.3999001283078323
Energy: 1.2179439813119426
Energy: 1.3888641005217799
Energy: 1.389863344768821
Energy: 1.416169797179153
Energy: 1.4234234903408614
Energy: 1.3062965666974358
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Energy: 1.4291304519947572
Energy: 1.2396420326860278
Energy: 1.4180654563735535
Energy: 1.3068414611141619
Energy: 1.4261808747063662
Energy: 1.478349281036802
Energy: 1.3471543941056645
Energy: 1.4519968332783089
Energy: 1.3471348143165798
Energy: 1.4295003025722006
Energy: 1.4516375582464516
Energy: 1.467069037046848
Energy: 1.4822827358644686
Energy: 1.45171921183869
Energy: 1.4348788699900963
Energy: 1.4525162199601642
Energy: 1.4531044102736206
Energy: 1.394341662410424
Energy: 1.3133052203314657
Energy: 1.2888326123274778
Energy: 1.2893786243427332
Energy: 1.428884047560123
Energy: 1.2267482949472215
Energy: 1.304035281715192
Energy: 1.2950706636493998
Energy: 1.2490953353893957
Energy: 1.4795471938971605
Energy: 1.3808099795473756
Energy: 1.2957926751786402
Energy: 1.2971638745639045
Energy: 1.2955265582445652
Energy: 1.3090604772547343
Energy: 1.3085223951157443
Energy: 1.2944439994272485
Energy: 1.2863546291054244
Energy: 1.3070873548702369
Energy: 1.4232802624872598

minimum gb energy = 1.1930168219271113 eV
minimum distance =  2.15896336435255 Angstroms
sigma value = 165


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

Energy: 1.62111033224718
Energy: 1.1915553535830885
Energy: 1.1932772973107733
Energy: 1.2982717343142312
Energy: 1.1726383511626974
Energy: 1.6190315153879815
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Energy: 1.296419580951679
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Energy: 1.4420105258836866
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Energy: 1.3907893683389363
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Energy: 1.6190485538349584
Energy: 1.2966888297311219
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Energy: 1.2965138590120917
Energy: 1.3122501507384867
Energy: 1.175304228321725
Energy: 1.2957769658184706
Energy: 1.2800946515262626
Energy: 1.2968444791506872
Energy: 1.313930032543878
Energy: 1.2995107377966144
Energy: 1.4347410501634275
Energy: 1.184236282463016
Energy: 1.194714077176867
Energy: 1.2799920083543006
Energy: 1.1921648048717113
Energy: 1.189386304311292
Energy: 1.2950804099010191
Energy: 1.1944591087443366
Energy: 1.2799126995952361
Energy: 1.1926905830237107
Energy: 1.2805959186340035
Energy: 1.2810989135519657
Energy: 1.1963145234342913
Energy: 1.173033180409532
Energy: 1.2814911729142597
Energy: 1.4106824400712785
Energy: 1.2806374670931693
Energy: 1.1955422009901306
Energy: 1.1768520731140386
Energy: 1.2819187871515894
Energy: 1.1750889372668192
Energy: 1.3087759684321207
Energy: 1.295060868900803
Energy: 1.1969386386807253
Energy: 1.2827929285988315
Energy: 1.2826853721178302
Energy: 1.2812987723570408
Energy: 1.2921388343167461
Energy: 1.1944123142595255
Energy: 1.28199704084317

minimum gb energy = 1.1714047205964064 eV
minimum distance =  2.17762635960602 Angstroms
sigma value = 41


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

Energy: 1.1769909413214104
Energy: 1.144344422849096
Energy: 1.1631169192442363
Energy: 1.1311673430591564
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Energy: 1.2229722969929706
Energy: 1.2623689835046084
Energy: 1.2201863746113262
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Energy: 1.2177559926021595
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Energy: 1.1469438659644775
Energy: 1.1715160947091847
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Energy: 1.1201484034471452
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Energy: 1.1855028531696525
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Energy: 1.2458528560316744
Energy: 1.259087547010005
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Energy: 1.1366369333802022
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Energy: 1.27222912037032
Energy: 1.1208531851389874
Energy: 1.2329690578558872
Energy: 1.2342405609349003
Energy: 1.2249415097095941
Energy: 1.2229720323598297
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Energy: 1.2767409875192273
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Energy: 1.2238971232371278
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Energy: 1.2592261381652032
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Energy: 1.2152808182607329
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Energy: 1.1105237737155391
Energy: 1.2607014246465622
Energy: 1.2795013983680077
Energy: 1.2239814224919003
Energy: 1.1988768984187537
Energy: 1.2449718212822944
Energy: 1.2225158148640252
Energy: 1.2365339931947716
Energy: 1.187534531991294
Energy: 1.1976290528324984
Energy: 1.2188996920377468
Energy: 1.2262143611261496
Energy: 1.2577125591586362
Energy: 1.19215068462079
Energy: 1.1536593257023233
Energy: 1.2201225151382729
Energy: 1.2583074073361178
Energy: 1.1102131949252767
Energy: 1.113255701196351
Energy: 1.112393342590471
Energy: 1.2165530922410792
Energy: 1.3059036995592181
Energy: 1.1476741996643065
Energy: 1.1533300417004309
Energy: 1.1097918128882458
Energy: 1.1416533175439507
Energy: 1.1346122847441107
Energy: 1.1710244690119238
Energy: 1.131032736731327
Energy: 1.1600412420229451
Energy: 1.1408553131748376
Energy: 1.162295036224529
Energy: 1.1352313125578855
Energy: 1.1635203687427111
Energy: 1.1559397811827585
Energy: 1.1476998398679896
Energy: 1.2222097972627528
Energy: 1.148136871829764
Energy: 1.1577998985296194
Energy: 1.1108077562870489
Energy: 1.18009414970961
Energy: 1.2654075582162128
Energy: 1.1686736728040492
Energy: 1.149813072720165
Energy: 1.1462150478678408
Energy: 1.177826322285592
Energy: 1.1559317101509508
Energy: 1.1512805001788338
Energy: 1.1515527773779022
Energy: 1.1464630041517756
Energy: 1.1558526595519132
Energy: 1.131887944881966
Energy: 1.1443627192529762
Energy: 1.1714359531364709
Energy: 1.1808063549004815

minimum gb energy = 1.08825881018977 eV
minimum distance =  2.18449234172447 Angstroms
sigma value = 185


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

Energy: 0.8948165634393774
Energy: 0.8389841330335177
Energy: 1.1351467727337419
Energy: 0.8245995852512514
Energy: 0.6818137441525656
Energy: 0.6788944419448723
Energy: 0.8205482482943588
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Energy: 0.9756238007275218
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Energy: 0.958551134797742
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Energy: 0.8669956888585456
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Energy: 1.2042960688947006
Energy: 0.9903506818213945
Energy: 0.6551358177901909
Energy: 0.85754962303788
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Energy: 0.6835638778253911
Energy: 0.9638188754827259
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Energy: 0.6725297988408095
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Energy: 0.9536934015464537
Energy: 1.035350454908685
Energy: 0.647934455751074
Energy: 0.6500473391592351
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Energy: 0.982185830316748
Energy: 0.681147914823679
Energy: 0.6772966318359805
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Energy: 1.1193546513237715
Energy: 1.05864223259942
Energy: 0.6224150669959168
Energy: 0.6209029757954035
Energy: 0.9713319526104164
Energy: 1.142598172162435
Energy: 1.0459647491409716
Energy: 0.9547876296157012
Energy: 1.0026912235050947
Energy: 0.9359471837205765
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Energy: 1.0725548026957095
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Energy: 1.0878720963081405
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Energy: 0.5688576483082782
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Energy: 1.1579773929532444
Energy: 0.6139866915106078
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Energy: 1.0389983385131303
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Energy: 1.1132106375015014
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Energy: 1.123016444698741
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Energy: 1.201965073431159
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Energy: 1.0094032114649687
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Energy: 1.0776482003160643
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Energy: 1.1082139293060813
Energy: 1.1866676181070575
Energy: 1.1829551704999817
Energy: 1.0888614665134804
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Energy: 0.6219033699146036
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Energy: 0.5705667271564537
Energy: 0.5660837958178686
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Energy: 0.8217679202554019
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Energy: 0.8956268232702053
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Energy: 0.9092836921337019
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Energy: 0.8239052070748385
Energy: 0.8681576015295885
Energy: 0.8704267206012983
Energy: 0.9067776037115916
Energy: 0.8465645588270505
Energy: 0.6765599624501767
Energy: 0.676985096674552
Energy: 0.834367409831925
Energy: 1.122901999133392
Energy: 0.8459848930141328
Energy: 0.6210552882915615
Energy: 0.6214841334927602
Energy: 0.8312498319860664
Energy: 0.8525307789892531
Energy: 0.9460054060460823
Energy: 0.903213157102111
Energy: 0.6595418098427982
Energy: 0.9807864241227962
Energy: 1.0803857742908274
Energy: 0.8969572336823964
Energy: 0.8454456281617837
Energy: 0.824086793310161
Energy: 0.828019671009472
Energy: 0.9165213578644076
Energy: 0.9979180465084049
Energy: 0.6634083255388856
Energy: 0.9019622483464073
Energy: 0.9159325006689084
Energy: 0.8637973460419571
Energy: 0.8237772994310811
Energy: 0.7404575320931417
Energy: 0.8215813403935956
Energy: 0.8537248648960243
Energy: 0.8510379318508089
Energy: 0.6567743252470419
Energy: 0.6212727821637118
Energy: 0.8696023086359109
Energy: 0.9408856715551811
Energy: 0.8229227470808527
Energy: 0.7410026763029917
Energy: 0.7319071138282659
Energy: 0.8707457755260009
Energy: 0.9448792892006839
Energy: 0.8561248173749436
Energy: 0.9276635582545448
Energy: 0.9864211928089472
Energy: 0.8492984619952259
Energy: 0.8209741153893041
Energy: 0.8193801914006662
Energy: 0.8202207886260121
Energy: 0.8098789978384284
Energy: 0.8901510665113012
Energy: 0.9408302140514985
Energy: 0.941511816904774
Energy: 0.8841437267710138
Energy: 0.9152989657319142
Energy: 0.8624589048892222
Energy: 0.8224839723920331
Energy: 0.8200431229831171
Energy: 0.687609900880363
Energy: 0.825668382743998
Energy: 0.8104162892463294
Energy: 0.8696810604570879
Energy: 0.8739937630908385

minimum gb energy = 0.5660837958178686 eV
minimum distance =  2.32615453209334 Angstroms
sigma value = 33


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

Energy: 1.1018641849782638
Energy: 1.0690810553300505
Energy: 1.058262591637414
Energy: 1.0837794395419706
Energy: 1.0702555179029103
Energy: 1.0738115732323932
Energy: 1.069569302282849
Energy: 1.1021248668728607
Energy: 1.0872994134353027
Energy: 1.0701313498132254
Energy: 1.0737354389816647
Energy: 1.0634914491401133
Energy: 1.0631031950451109
Energy: 1.0815590207226908
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Energy: 1.1144126774994838
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Energy: 1.1507080594865629
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Energy: 1.0703546556590477
Energy: 1.1000499364672678
Energy: 1.123696953920382
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Energy: 1.0594601332824933
Energy: 1.0697899221269078
Energy: 1.072866992701563
Energy: 1.0688635448622754
Energy: 1.0716307798084959
Energy: 1.1042108022567587
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Energy: 1.0692307314876028
Energy: 1.0915523268352412
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Energy: 1.072856979848375
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Energy: 1.0733067915719738
Energy: 1.1027503451824303
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Energy: 1.073145868623344
Energy: 1.104020700877494
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Energy: 1.1030629804804155
Energy: 1.0708798432961175
Energy: 1.0697882434082677
Energy: 1.075096455890004
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Energy: 1.0754766427664575
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Energy: 1.0752368831273957
Energy: 1.0733013550776185
Energy: 1.0730438683597092
Energy: 1.072951053144182
Energy: 1.1064701613935912
Energy: 1.0732322920551545
Energy: 1.073149913699914
Energy: 1.0733106993010828
Energy: 1.0731282557945534
Energy: 1.1061091279783906
Energy: 1.0734829160088721
Energy: 1.073719780209505
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Energy: 1.0699326552534383
Energy: 1.0697069313982122
Energy: 1.0728437024308972
Energy: 1.0718553660246264
Energy: 1.1064145297119743
Energy: 1.0699260011437721
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Energy: 1.0724455618016038
Energy: 1.0708384014543137
Energy: 1.071877591170379
Energy: 1.099131332137675
Energy: 1.0735152639971497
Energy: 1.10719675219114
Energy: 1.071443867699885
Energy: 1.0732715917688405
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Energy: 1.0753081467539043
Energy: 1.0695541583497175
Energy: 1.125776814873676
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Energy: 1.0702126847081157
Energy: 1.0723885862903584
Energy: 1.0719191870842695
Energy: 1.208214247219731
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Energy: 1.0737380987882514
Energy: 1.1176090796795053
Energy: 1.0612629343252515
Energy: 1.069574755755615
Energy: 1.074412136405439
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Energy: 1.0716614765708794
Energy: 1.0700395163240692
Energy: 1.0600288528150787
Energy: 1.0714716766263082
Energy: 1.0702188847093188

minimum gb energy = 1.0531175130063835 eV
minimum distance =  2.26717809996516 Angstroms
sigma value = 219


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

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Energy: 1.3638740979008954
Energy: 1.3562377266039713
Energy: 1.3504441772275502
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Energy: 1.3186227864580569
Energy: 1.3168770256477367
Energy: 1.4085639373671075
Energy: 1.3147560826344225
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Energy: 1.3168761844585706
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Energy: 1.3645813052307454
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Energy: 1.3810225470681265
Energy: 1.3637472699274678
Energy: 1.363768141058805
Energy: 1.383544149422855
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Energy: 1.363296406219919
Energy: 1.382445557541149
Energy: 1.4099943661031225
Energy: 1.3109442566965912
Energy: 1.3947952112538469
Energy: 1.362975738597284

minimum gb energy = 1.289441010560726 eV
minimum distance =  2.22489557308226 Angstroms
sigma value = 15


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

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Energy: 1.5249924335882268
Energy: 1.5166820506165155
Energy: 1.4919469430102277
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Energy: 1.4901149676188201
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Energy: 1.5503459589262858
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Energy: 1.4722105184569192
Energy: 1.4956870924963337
Energy: 1.5405962682470224
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Energy: 1.501154870852691
Energy: 1.4842271133519866
Energy: 1.5167769752320632
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minimum gb energy = 1.445431372241538 eV
minimum distance =  2.22511391070889 Angstroms
sigma value = 293


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

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Energy: 1.539226429306948
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Energy: 1.434589183923819
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Energy: 1.5607313214752512
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Energy: 1.479292536949274
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Energy: 1.4737017163003319
Energy: 1.4636625232383775
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Energy: 1.5321215200867304
Energy: 1.5323170570514928
Energy: 1.4766403149982739
Energy: 1.4772064188031746
Energy: 1.4783816200195972
Energy: 1.5334557099171449
Energy: 1.5357857557484893
Energy: 1.4772399838419057
Energy: 1.4785725866241592
Energy: 1.4815045715909678
Energy: 1.4834917529216478
Energy: 1.4807077661894745
Energy: 1.4826726128307737
Energy: 1.5779701976016847
Energy: 1.505557544083571
Energy: 1.4875583192745503
Energy: 1.5847682150708802
Energy: 1.4842004651035627
Energy: 1.5780566631210173
Energy: 1.4794880880577697
Energy: 1.5331384782961048
Energy: 1.4659423330349004
Energy: 1.4795719975837989
Energy: 1.5269516209399827
Energy: 1.4792725144072036
Energy: 1.5324405915152708
Energy: 1.475020712411784
Energy: 1.4799122173888346
Energy: 1.5276028524762015
Energy: 1.4899243260720785
Energy: 1.480901761190509
Energy: 1.4787388933108911
Energy: 1.4641711048886634
Energy: 1.5810632426792572
Energy: 1.4304766835029883
Energy: 1.4802789640197325
Energy: 1.4784177273216048
Energy: 1.465007744376296
Energy: 1.541346610182719

minimum gb energy = 1.4294998485060841 eV
minimum distance =  2.17216889196775 Angstroms
sigma value = 293


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

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Energy: 1.4388349499747406
Energy: 1.5432206588086013
Energy: 1.4375488630400863
Energy: 1.4161553668689317
Energy: 1.4082356090391734
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Energy: 1.4304168540270512
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Energy: 1.4088313668461212
Energy: 1.4145868572871088
Energy: 1.4323190359095057
Energy: 1.5350617524533343
Energy: 1.431554471337397
Energy: 1.4182240311371321
Energy: 1.408066362549595
Energy: 1.43126462744657
Energy: 1.4321512170504238
Energy: 1.4306969500819806
Energy: 1.4172125603407826
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Energy: 1.4313764537838505
Energy: 1.4307530234632826
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Energy: 1.5373686751140474
Energy: 1.4415988394385624
Energy: 1.431609614318775
Energy: 1.4157090859691777
Energy: 1.4316547498153607
Energy: 1.5448948448251552
Energy: 1.4394554297431905
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Energy: 1.4166985282466387
Energy: 1.5439815542289668
Energy: 1.4073894131014446
Energy: 1.4313335382438896
Energy: 1.4303138230497963
Energy: 1.5339587276559048
Energy: 1.4314633584665544
Energy: 1.4079338255991987
Energy: 1.430515101528345
Energy: 1.4300633605094082
Energy: 1.4305043948313514
Energy: 1.4314866808641158
Energy: 1.5323260729933934
Energy: 1.4302744934999667
Energy: 1.4077358752041
Energy: 1.4182746003458102
Energy: 1.4328665838354229
Energy: 1.5314605168871656
Energy: 1.4337615706038074
Energy: 1.406728336826507
Energy: 1.416263603120859
Energy: 1.4306859368715377
Energy: 1.4148588361974748
Energy: 1.4292051033061077
Energy: 1.4146680757215515
Energy: 1.5363289101916784
Energy: 1.429317335255053
Energy: 1.4290081621773372
Energy: 1.4292079062995666
Energy: 1.4150210248083313
Energy: 1.4296265505086825
Energy: 1.433237552173113
Energy: 1.431163551051754
Energy: 1.532285398679879
Energy: 1.5448423752448246
Energy: 1.4376588088205313
Energy: 1.43661125326566
Energy: 1.4324103319886796
Energy: 1.5323383852434274
Energy: 1.4329868383967235
Energy: 1.4331077605699245
Energy: 1.4135462123958031
Energy: 1.4305094322009062
Energy: 1.431106245552338
Energy: 1.4350022635425668
Energy: 1.536854745624925
Energy: 1.415445045923376
Energy: 1.430603637628438
Energy: 1.408064702851187
Energy: 1.4358317223700914
Energy: 1.5363986705882149

minimum gb energy = 1.406728336826507 eV
minimum distance =  2.183431878871 Angstroms
sigma value = 15


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

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Energy: 1.41370868315903
Energy: 1.605338089229211
Energy: 1.514345395716263
Energy: 1.433429768486168
Energy: 1.3862122470198348
Energy: 1.4124705738863774
Energy: 1.6047024304045674
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Energy: 1.5805413875118426
Energy: 1.4260336989975124
Energy: 1.3696747259038369
Energy: 1.3999343677132836
Energy: 1.6680693507057716
Energy: 1.6608035782727204
Energy: 1.5679229077020502
Energy: 1.3689858086546758
Energy: 1.4109046313784286
Energy: 1.665959236007724
Energy: 1.4141597341109673
Energy: 1.5681403074481444
Energy: 1.3904201378794565
Energy: 1.5317572553020495
Energy: 1.5670870861719928
Energy: 1.5584701468584223
Energy: 1.3715443206271145
Energy: 1.3891003210411252
Energy: 1.3900871179653056
Energy: 1.554536917776787
Energy: 1.5569605422014345
Energy: 1.3889392509520997
Energy: 1.5336785604932661
Energy: 1.3925963360287559
Energy: 1.393708232948427
Energy: 1.393132931836531
Energy: 1.6222415027195192
Energy: 1.53302296978626
Energy: 1.3933665608507684
Energy: 1.5094927935776574
Energy: 1.4146784948273796
Energy: 1.6237072549867337
Energy: 1.6349711189915437
Energy: 1.4482546583167655
Energy: 1.3922197203249902
Energy: 1.3918585207173026
Energy: 1.5529838566663803
Energy: 1.6324109875349284
Energy: 1.451159497724062
Energy: 1.393480862890337
Energy: 1.4770428556612258
Energy: 1.3696052991702028
Energy: 1.3716691815545925
Energy: 1.6477130319214213
Energy: 1.5408810675063287
Energy: 1.6388124604573746
Energy: 1.668198641397361
Energy: 1.369871603453735
Energy: 1.6485782505388957
Energy: 1.5438263072387373
Energy: 1.6401633148036454
Energy: 1.6792716995593129
Energy: 1.40828164286289
Energy: 1.597760790843087
Energy: 1.5058210947007769
Energy: 1.4025132705913246
Energy: 1.642852689754656
Energy: 1.4497950662717896
Energy: 1.5302780135711445
Energy: 1.5024239015160838
Energy: 1.4051877379455855
Energy: 1.6426378677540636
Energy: 1.6613055829609897
Energy: 1.3965372428614962
Energy: 1.3972588254060145
Energy: 1.6928528962743954
Energy: 1.6703885270498693
Energy: 1.6456123931829998
Energy: 1.3983859867682562
Energy: 1.3966212201739017
Energy: 1.7102090694853838
Energy: 1.6686860659724005
Energy: 1.406257396344544
Energy: 1.3953347734867076
Energy: 1.4052312782625296
Energy: 1.4271890325501742
Energy: 1.5672135986835178
Energy: 1.4058362027911804
Energy: 1.3967025244206355
Energy: 1.4023920139686934
Energy: 1.4262046448400638
Energy: 1.6422268030536031
Energy: 1.4114598708748576
Energy: 1.3953883321863565
Energy: 1.411668099554907
Energy: 1.457306149055322
Energy: 1.6133117709190277
Energy: 1.4097016085022804
Energy: 1.396484249574668
Energy: 1.4104763736486596
Energy: 1.5120913312829203
Energy: 1.6111186425210515
Energy: 1.5418390078367616
Energy: 1.4300437930023142
Energy: 1.463498919250943
Energy: 1.387764617343337
Energy: 1.4702287653803945
Energy: 1.4873328251738753
Energy: 1.4549010018749837
Energy: 1.4913291805223599
Energy: 1.4730296733994477
Energy: 1.4654384002492769
Energy: 1.4985103281199335
Energy: 1.6850090868291203
Energy: 1.4736413711579188
Energy: 1.4121060810189001
Energy: 1.3880935070157971
Energy: 1.4963991947415545
Energy: 1.6649239909222704
Energy: 1.3851329643385544
Energy: 1.4233234404608959
Energy: 1.4550937708768226
Energy: 1.5754006737792974
Energy: 1.4008328175418434
Energy: 1.4296058469190822
Energy: 1.4368469346393953
Energy: 1.3862590191617636
Energy: 1.5478109612346456
Energy: 1.430309098540979
Energy: 1.4296983078770005
Energy: 1.435262862568692
Energy: 1.3861447246425749
Energy: 1.66834716021403
Energy: 1.5096066053213288
Energy: 1.4104950966785312
Energy: 1.3868755863244329
Energy: 1.5022157316957219
Energy: 1.6616959573586463
Energy: 1.6079359892428167
Energy: 1.3851657911219761
Energy: 1.3834416421565103
Energy: 1.5010428037869845
Energy: 1.5216408582035763
Energy: 1.4490413673388494
Energy: 1.3909945338605967
Energy: 1.4058332567781773
Energy: 1.411101115605197
Energy: 1.5545152988055102
Energy: 1.4014314456683359
Energy: 1.3893918835847616
Energy: 1.4608617427853912
Energy: 1.410347347608956
Energy: 1.4937166169682679
Energy: 1.5045212876755942
Energy: 1.6162351252978313
Energy: 1.443205177237799
Energy: 1.405285064117497
Energy: 1.482126869684781
Energy: 1.5130657749740626
Energy: 1.5009853026271749
Energy: 1.4342922992512304
Energy: 1.4035998028396712
Energy: 1.4672529372832634
Energy: 1.4615309539609591
Energy: 1.3842802914109393
Energy: 1.4467207146046344
Energy: 1.5051577990148663
Energy: 1.4977919781654407
Energy: 1.3895169249319825
Energy: 1.3851241758431763
Energy: 1.446673718962465
Energy: 1.507690850509769
Energy: 1.6685325449816928
Energy: 1.6172605716126864
Energy: 1.6426650171070425
Energy: 1.6158744548877502
Energy: 1.4425129671755497
Energy: 1.6444731719531762
Energy: 1.618059488887141
Energy: 1.6471466899572338
Energy: 1.6004556789326378
Energy: 1.3768428828482369
Energy: 1.3863837628490265
Energy: 1.5690250347751953
Energy: 1.6265122067309896
Energy: 1.3921109952917996
Energy: 1.4916589638674589
Energy: 1.3856766564033132
Energy: 1.6607851764604922
Energy: 1.5106809990278656
Energy: 1.5591254334416218
Energy: 1.487103633407972
Energy: 1.6877231214965898
Energy: 1.6614529086696712
Energy: 1.666839783123914
Energy: 1.479319672951095
Energy: 1.411314867201263
Energy: 1.620199380295518
Energy: 1.6623417745087978
Energy: 1.664953031232562
Energy: 1.433829000512154
Energy: 1.3979323698773058
Energy: 1.3911774665455476
Energy: 1.4483479736284262
Energy: 1.5458993851918523
Energy: 1.3911704875403539
Energy: 1.4054323651657006
Energy: 1.3918916980917277
Energy: 1.3907863746074145
Energy: 1.4063525437971869
Energy: 1.390734205472523
Energy: 1.4130346543852814
Energy: 1.4880466272104709
Energy: 1.4719860253951909
Energy: 1.447860537845431
Energy: 1.3923616780497463
Energy: 1.39951897999446
Energy: 1.4638725719028414
Energy: 1.4493048663632457
Energy: 1.5354648049520045
Energy: 1.3907978781373793
Energy: 1.4018781818483097
Energy: 1.538629706702758
Energy: 1.522353598578189
Energy: 1.4040817014334377
Energy: 1.4849923821892541
Energy: 1.534738791440303
Energy: 1.5375955787307958
Energy: 1.5129870793704252
Energy: 1.4050225561260992
Energy: 1.5130682153162378
Energy: 1.535536296245581
Energy: 1.3981789289583264
Energy: 1.390873957678854
Energy: 1.5457942197260777
Energy: 1.6639850114110732
Energy: 1.4007330304313492
Energy: 1.3947361701584429
Energy: 1.3925393197996103
Energy: 1.5423829304197507
Energy: 1.6728508368419799
Energy: 1.4023266522462532
Energy: 1.4070221200288178
Energy: 1.3924188720782502
Energy: 1.4045447253191625
Energy: 1.3905379965301747
Energy: 1.3911726921228138
Energy: 1.4035651155481592
Energy: 1.3940752310195998
Energy: 1.4103911814678893
Energy: 1.3920275858282707
Energy: 1.3904696425715302
Energy: 1.4086981946225083
Energy: 1.413871378061427
Energy: 1.6845537337220557
Energy: 1.6607414281842694
Energy: 1.6587363541120055
Energy: 1.4051997279866553
Energy: 1.4796534687462335
Energy: 1.6707616063365431
Energy: 1.586532242333789
Energy: 1.6055612624234572
Energy: 1.525908325747507
Energy: 1.640342552448735
Energy: 1.6180302286689179
Energy: 1.4755954224073597
Energy: 1.3768762959033394
Energy: 1.6576467131966721
Energy: 1.5461217764851793
Energy: 1.3920339661901757
Energy: 1.4762286695165239
Energy: 1.3767517426619842

minimum gb energy = 1.3689858086546758 eV
minimum distance =  2.15161241830724 Angstroms
sigma value = 437


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

Energy: 1.8990357393814457
Energy: 1.3954853858643947
Energy: 1.5335895732552962
Energy: 1.285279912633101
Energy: 1.2909741262244459
Energy: 1.8992859064437932
Energy: 1.3929569487767013
Energy: 1.5377762448730647
Energy: 1.2850704084169946
Energy: 1.5618116560293531
Energy: 1.2831216115456783
Energy: 1.513287805871661
Energy: 1.5793699351183261
Energy: 1.5645382399351406
Energy: 1.4616161470003384
Energy: 1.2825354326758986
Energy: 1.5111075594724204
Energy: 1.5749144968413458
Energy: 1.5141359282814757
Energy: 1.3386482956324117
Energy: 1.4290942603388095
Energy: 1.4491887018732628
Energy: 1.3651493026756811
Energy: 1.3476481020149849
Energy: 1.4339020376455944
Energy: 1.4285413575934165
Energy: 1.4465981981355622
Energy: 1.3738643522540979
Energy: 1.3445649658168144
Energy: 1.4407072393204825
Energy: 1.344164193908839
Energy: 1.3431378427676717
Energy: 1.3649580408745963
Energy: 1.31821068131072
Energy: 1.283548528632546
Energy: 1.3461086889945215
Energy: 1.3466058402279764
Energy: 1.3643423938746742
Energy: 1.3139829587701137
Energy: 1.4538816237864334
Energy: 1.3140961133102265
Energy: 1.4068075650348288
Energy: 1.3542340088979197
Energy: 1.3423205150826225
Energy: 1.2812743162054485
Energy: 1.3087669080786686
Energy: 1.5148858773740972
Energy: 1.3440194972727113
Energy: 1.3606639519952188
Energy: 1.4553679031572533
Energy: 1.3858275976872063
Energy: 1.340770421170129
Energy: 1.280178595720237
Energy: 1.4554938239442587
Energy: 1.8890495824099278
Energy: 1.3860772725945625
Energy: 1.3407575662140356
Energy: 1.2802109710808285
Energy: 1.4577812208240049
Energy: 1.8972238414732403
Energy: 1.44109303177736
Energy: 1.4356045984157677
Energy: 1.4236256140894186
Energy: 1.3416731360118472
Energy: 1.366391625753994
Energy: 1.4395307392968637
Energy: 1.4278705753109597
Energy: 1.4287408488009417
Energy: 1.3401479277599018
Energy: 1.366535484989265
Energy: 1.440449007505414
Energy: 1.2813989419889078
Energy: 1.340404327401955
Energy: 1.4984210902425856
Energy: 1.5117480901714455
Energy: 1.442028214616036
Energy: 1.280241611845845
Energy: 1.3406348834008244
Energy: 1.6259220088136546
Energy: 1.5109437189491963
Energy: 1.343250976671309
Energy: 1.3733980740600373
Energy: 1.3950840309655774
Energy: 1.3744269498837687
Energy: 1.3442516008168777
Energy: 1.3418401582139403
Energy: 1.3716875425501438
Energy: 1.405780636447688
Energy: 1.2830277252076354
Energy: 1.3429612172621672
Energy: 1.2845535122813916
Energy: 1.468232132304574
Energy: 1.2911400787605065
Energy: 1.6705763988451245
Energy: 1.413573907507789
Energy: 1.3063915217151552
Energy: 1.3397039460572773
Energy: 1.3421718178849995
Energy: 1.6468279526342486
Energy: 1.3968404792296294
Energy: 1.283775904622492
Energy: 1.2833251347097043
Energy: 1.2869803657614094
Energy: 1.453019388049123
Energy: 1.288670210864832
Energy: 1.2835713839131124
Energy: 1.2825241771104376
Energy: 1.3986346132957208
Energy: 1.4545152624971676
Energy: 1.3442780400011818
Energy: 1.2873865779255325
Energy: 1.2848575302432976
Energy: 1.2905909052289686
Energy: 1.5535055512381257
Energy: 1.2872202163380206
Energy: 1.286578202879355
Energy: 1.283136502545309
Energy: 1.2844070985432865
Energy: 1.5840533515559407
Energy: 1.2863948761167177
Energy: 1.2829541122157857
Energy: 1.289029176971755
Energy: 1.7430582502063747
Energy: 1.511342206208251
Energy: 1.2870520037462434
Energy: 1.2841351568377453
Energy: 1.3387908565387372
Energy: 1.5163976159407215
Energy: 1.5099316739765951
Energy: 1.285559979345552
Energy: 1.5665867477703517
Energy: 1.28806362249051
Energy: 1.3664007987676403
Energy: 1.2861511469116642
Energy: 1.2902221308054456
Energy: 1.2921724231715215
Energy: 1.285831983235643
Energy: 1.5416314625983392
Energy: 1.2848905275678568
Energy: 1.3829270106381566

minimum gb energy = 1.280178595720237 eV
minimum distance =  2.22911598172341 Angstroms
sigma value = 33