Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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=3.518474650382997
cohesive_energy=4.34606645024629
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=[3.9172417612983e-19, 4.404928306921559e-19, 4.73504078059092e-19, 5.0180973265197e-19, 5.24025513859014e-19, 5.40324456756696e-19, 5.5284706932804e-19, 5.636409333112979e-19, 5.7416402944341e-19, 5.849675064864719e-19, 5.96096225386236e-19, 6.07582229675382e-19, 6.19555295661264e-19, 6.317991294982919e-19, 6.43487008043322e-19, 6.533243725760819e-19, 6.606238893205859e-19, 6.661578074144219e-19, 6.719496759463319e-19, 6.79894869874338e-19, 6.883046950262039e-19, 6.93696019399614e-19, 6.9579326861352e-19, 6.962611041906479e-19, 6.958156990863959e-19, 6.943529118195539e-19, 6.916676637809699e-19, 6.87535650241884e-19, 6.81714942530562e-19, 6.7393317061922395e-19, 6.638907274773119e-19, 6.512383385986139e-19, 6.35537007585414e-19, 6.16208348672838e-19, 5.92443262660716e-19, 5.631955282070459e-19, 5.27279534602668e-19, 4.82865596131554e-19, 4.2673173558273e-19, 3.5353629605843995e-19, 2.5374472440975e-19, 1.077627208381668e-19, -1.0862405099660518e-19, -4.3334231637461397e-19, -9.29129467059378e-19]
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: 0.020017514874439805
Energy: 0.0254696661512195
Energy: 0.16069872535092256
Energy: 0.16041796748234874
Energy: 0.024494729843634457
Energy: 0.021858151388120795
Energy: 0.15954983363570868
Energy: 0.16127817353058213
Energy: 0.16051499964665147
Energy: 0.02360487788342979
Energy: 0.020596665462813045
Energy: 0.16023050243741346
Energy: 0.16011902842863757
Energy: 0.15983969743232115
Energy: 0.1606208241007461
Energy: 0.16008820377236976
Energy: 0.16013189753209722
Energy: 0.1599623221270519
Energy: 0.1604569911904699
Energy: 0.1604822031996353
Energy: 0.1597641345062381
Energy: 0.024301658182376652
Energy: 0.020568064329420523
Energy: 0.16015070301185624
Energy: 0.15938676326113035
Energy: 0.15971289047691736
Energy: 0.023239715427210223
Energy: 0.020653041352266806
Energy: 0.1599458708307637
Energy: 0.16059948726186235
Energy: 0.16048689883240294
Energy: 0.021698377713231395
Energy: 0.021338278582296262
Energy: 0.15961946733882212
Energy: 0.15932598791477456
Energy: 0.16069170403061192
Energy: 0.02152229483584604
Energy: 0.020877259468018994
Energy: 0.1590377403649303
Energy: 0.16017520188608692
Energy: 0.16073329111711307
Energy: 0.16195420404524755
Energy: 0.16032842725658894
Energy: 0.022089826635114104
Energy: 0.020818305661691384
Energy: 0.1596403564379353
Energy: 0.16092654543263304
Energy: 0.16032789043711068
Energy: 0.02311117594281995
Energy: 0.15904003805374942
Energy: 0.15999128667163776
Energy: 0.16018469422883594
Energy: 0.16102964912722104
Energy: 0.02148032334179634
Energy: 0.02052839230419923
Energy: 0.15988945819388226
Energy: 0.9443516677442174
Energy: 0.16165882584634444
Energy: 0.021171647747947293
Energy: 0.020662571897503264
Energy: 0.020629260182518015
Energy: 0.16054904074793458
Energy: 0.16002736406727033
Energy: 0.1615565716821787
Energy: 0.16128281624387172
Energy: 0.0204589807527785
Energy: 0.1602596574561714
Energy: 0.15992710521448034
Energy: 0.1626371831906328
Energy: 0.16091830145804367

minimum gb energy = 0.020017514874439805 eV
minimum distance =  2.45642191225875 Angstroms
sigma value = 3


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

Energy: 1.332823112188377
Energy: 1.3090756967373425
Energy: 1.30311847101648
Energy: 1.3182816885718
Energy: 1.3396559464722404
Energy: 1.3349470775760022
Energy: 1.298526871618853
Energy: 1.3037464788861144
Energy: 1.318517617355206
Energy: 1.309031813960721
Energy: 1.2040077298780496
Energy: 1.448489391674027
Energy: 1.3095081138834317
Energy: 1.3028211121456035
Energy: 1.147064028681356
Energy: 1.031984345226109
Energy: 1.411736955418127
Energy: 1.3035011197182715
Energy: 1.1763012323808575
Energy: 1.2333374146457803
Energy: 1.1360316658755851
Energy: 1.1596179500676027
Energy: 1.1491093136543378
Energy: 1.1261605513066344
Energy: 1.2558311617446485
Energy: 1.1258220580079634
Energy: 1.2010224583841695
Energy: 1.167004227304653
Energy: 1.2077184690941105
Energy: 1.2565929057979897
Energy: 1.2245449593389603
Energy: 1.2989736691375562
Energy: 1.386551815133958
Energy: 1.125094318357925
Energy: 1.257473464964258
Energy: 1.1265085955481016
Energy: 1.3120763717285766
Energy: 1.3422062725280095
Energy: 1.2503039271641496
Energy: 1.218695282907722
Energy: 1.4482930320959095
Energy: 1.3021432952208578
Energy: 1.3973867675156941
Energy: 1.3615623263847283
Energy: 1.1067488879359995
Energy: 1.3999201929869236
Energy: 1.3125679855008743
Energy: 1.3496779296142487
Energy: 1.41473416454663
Energy: 1.112010886902786
Energy: 1.314414219389138
Energy: 1.3726854570543436
Energy: 1.273283129142225
Energy: 1.1808787398214429
Energy: 1.1069559424556101
Energy: 1.313315680109662
Energy: 1.319867013218091
Energy: 1.359568778465092
Energy: 1.1086193333199323
Energy: 1.3797922486220915
Energy: 1.3528808852215595
Energy: 1.4224337814052117
Energy: 1.454745553969886
Energy: 1.1862982318435553
Energy: 1.363690645413009
Energy: 1.3516648992182865
Energy: 1.3574664534731435
Energy: 1.408411821172356
Energy: 1.1157936605660275
Energy: 1.3634477373581921
Energy: 1.3494799364178227
Energy: 1.3544434792343414
Energy: 1.3823574226780586
Energy: 1.2143511350564384
Energy: 1.351169904383972
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Energy: 1.3495087974559965
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Energy: 1.2003228874165353
Energy: 1.3433793120612787
Energy: 1.3585070177462395
Energy: 1.225498373254276
Energy: 1.1946559677122879
Energy: 1.4800524648697955
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Energy: 1.0754551453612402
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Energy: 1.189044407771554
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Energy: 1.2432896555773043
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Energy: 1.428119526227179
Energy: 1.3664812129554187
Energy: 1.343115728357646
Energy: 1.4580819217339325
Energy: 1.3526306795868406
Energy: 1.3513226253657427
Energy: 1.3522489808237466
Energy: 1.3658919608760918
Energy: 1.3587221935936447
Energy: 1.3473199057121663
Energy: 1.3508485875639746
Energy: 1.3531387983222463
Energy: 1.35417802639972
Energy: 1.3444075622333633
Energy: 1.1250989251229728
Energy: 1.366111226666208
Energy: 1.3579511567241003
Energy: 1.3526949651031406
Energy: 1.207315239866868
Energy: 1.3034324900153245
Energy: 1.3574443909903169
Energy: 1.3590245624600792
Energy: 1.3515506173710088
Energy: 1.2021042227817669
Energy: 1.1942864345266306
Energy: 1.2020740856251444
Energy: 1.1508806316150124
Energy: 1.251760569389832
Energy: 1.2418224836291354
Energy: 1.185935518590863
Energy: 1.17613201909979
Energy: 1.1503380289715257
Energy: 1.243123995969823
Energy: 1.1792148414456722
Energy: 1.1814497735294702
Energy: 1.1539660848651403
Energy: 1.3820571781975635
Energy: 1.1043374885680817
Energy: 1.1574398249564315
Energy: 1.184077269043852
Energy: 1.1497977580743532
Energy: 1.3345291599728397
Energy: 1.1847106977656894
Energy: 1.1585515650683549
Energy: 1.4156469844639508
Energy: 1.35512163933383
Energy: 1.3555791526486374
Energy: 1.3074486111251604
Energy: 1.114523389522483
Energy: 1.4538398707347195
Energy: 1.3583522565003416
Energy: 1.3729119985592118
Energy: 1.3778301989682518
Energy: 1.0399874064012486
Energy: 1.320225491490754
Energy: 1.3228517414795073
Energy: 1.3553345801046062
Energy: 1.111590729643766
Energy: 1.427806357985339
Energy: 1.3103850174109193
Energy: 1.3730554956182408
Energy: 1.353944770220608
Energy: 1.305556365627422
Energy: 1.3597978491892042
Energy: 1.3556063196604402
Energy: 1.3515348262505658
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Energy: 1.1180965078647769
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Energy: 1.3578599456128875
Energy: 1.401345597905561
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Energy: 1.3810067991406068
Energy: 1.3637955325064806
Energy: 1.3461515625261313
Energy: 1.133826552028499
Energy: 1.1682897963262782
Energy: 1.3518731208963484
Energy: 1.3726639475613542
Energy: 1.347741067048936
Energy: 1.1775154514566648
Energy: 1.2401471770343477
Energy: 1.3512899869567907
Energy: 1.3502337870460874
Energy: 1.3616402506822096
Energy: 1.0751890653795482
Energy: 1.3685668347264128
Energy: 1.3470968893324518
Energy: 1.3525819802081271
Energy: 1.218802144376428
Energy: 1.1084722221821086
Energy: 1.3797277696398824
Energy: 1.3489091593647529
Energy: 1.2579936205330373
Energy: 1.2607464460304214
Energy: 1.108511607536421
Energy: 1.232530473020171
Energy: 1.3805989270189405
Energy: 1.2114736064724927
Energy: 1.2323744875664586
Energy: 1.1843744922066473
Energy: 1.2220690560731755
Energy: 1.3804631545649428
Energy: 1.3665137467178172
Energy: 1.1105645360177145
Energy: 1.224224765296958
Energy: 1.2491048806886031
Energy: 1.1406617942350175
Energy: 1.3900548192996405
Energy: 1.1790493201464898
Energy: 1.1238378145793453
Energy: 1.110102659386089
Energy: 1.3907677094668363
Energy: 1.335349697179405
Energy: 1.1793694215159733
Energy: 1.2478672424947568
Energy: 1.3784070166158
Energy: 1.2973584312308837
Energy: 1.4397290793880495
Energy: 1.0363618697697752
Energy: 1.1756372454188548
Energy: 1.4707057735773812
Energy: 1.3087222209804155
Energy: 1.1381247754549966
Energy: 1.3325302803503611
Energy: 1.3028998787413968
Energy: 1.3280486382099328
Energy: 1.3104955251602193
Energy: 1.12675956020343
Energy: 1.259400330103507
Energy: 1.3027804115695463
Energy: 1.378899440336055
Energy: 1.3107388689870687
Energy: 1.2948694242848406
Energy: 1.3785996470741555
Energy: 1.3124029788484821
Energy: 1.324405049191444
Energy: 1.420480652169846
Energy: 1.1295079722463914
Energy: 1.3281802399732614
Energy: 1.3049089057472285
Energy: 1.333834349420324
Energy: 1.4390021255249172
Energy: 1.3755793663081897
Energy: 1.3051757711310477
Energy: 1.3056951203347635
Energy: 1.3077824482759912
Energy: 1.321363287881196
Energy: 1.3392087432551243
Energy: 1.299155039372434
Energy: 1.3042250561067412
Energy: 1.304386490967274
Energy: 1.366728193073207

minimum gb energy = 1.0318322762136931 eV
minimum distance =  2.20838764528344 Angstroms
sigma value = 75


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

Energy: 2.3809957931616577
Energy: 1.2987362571587362
Energy: 1.2692492866697385
Energy: 1.339089581017919
Energy: 1.302602917505226
Energy: 1.3090165911425578
Energy: 1.342290810068625
Energy: 1.282098715348028
Energy: 1.3525610112378779
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Energy: 1.2557542494212368
Energy: 1.3334285683295448
Energy: 1.3608189699571203
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Energy: 1.3089397662668367
Energy: 1.340051680307251
Energy: 1.338125831181044
Energy: 1.2549433712357405
Energy: 1.3236639292421184
Energy: 1.24809160618336
Energy: 1.2905709188987209
Energy: 1.3358255976975921
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Energy: 1.247296603086768
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Energy: 1.2484331776349995
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Energy: 1.3303551066171366
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Energy: 1.360865006455101
Energy: 1.2159786007774434
Energy: 1.4094675712573712
Energy: 1.386916214104525
Energy: 1.2766074768899962
Energy: 1.371284243577112
Energy: 1.2526044496419273
Energy: 1.3755968386674342
Energy: 1.384296893049978
Energy: 1.286715114557194
Energy: 1.3096268712770056
Energy: 1.282763517066035
Energy: 1.3449682561927798
Energy: 1.2955832645897858
Energy: 1.3600073394455365
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Energy: 1.2498086360732819
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Energy: 1.298783143330024
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Energy: 1.3127685948014847
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Energy: 1.3733465466219
Energy: 1.3541140516011854
Energy: 1.2558379472939145
Energy: 1.3146435905060991
Energy: 1.279644651824486
Energy: 1.3703234998740048
Energy: 1.3546579416054123
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Energy: 1.3100953882693738
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Energy: 1.334704625061353
Energy: 1.2988408438935524
Energy: 1.3132472752686228
Energy: 1.2836179245756612
Energy: 1.3320022549850872
Energy: 1.3076119274938776
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Energy: 1.221434530836042
Energy: 1.2449410615362264
Energy: 1.3310908275540878
Energy: 1.3527045719585393
Energy: 1.2470154116107495
Energy: 1.2577392774009737
Energy: 1.3629580252068834
Energy: 1.330923040696881
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Energy: 1.2467693531127404
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Energy: 1.347619869497546
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Energy: 1.2727060922622775
Energy: 1.3978911288793963
Energy: 1.2721734797778752
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Energy: 1.250393850198711
Energy: 1.18851251445363
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Energy: 1.2079753115531193
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Energy: 1.387221762045261
Energy: 1.401648206102975
Energy: 1.3056548170869458
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Energy: 1.3593671301884325
Energy: 1.3620921030820183
Energy: 1.3609818113521666
Energy: 1.2852297239796506
Energy: 1.247445351845028
Energy: 1.2590927569302774
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minimum gb energy = 1.1685483818955305 eV
minimum distance =  2.15492489687814 Angstroms
sigma value = 105


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

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Energy: 1.254943789442335
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Energy: 1.2966522314435893
Energy: 1.2714078955675938
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Energy: 1.2695213595401917
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Energy: 1.2600141328342538
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Energy: 1.3167437001931412
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Energy: 1.3312003201949565
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Energy: 1.2777545166571027
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Energy: 1.32486207220568
Energy: 1.2777881768247226
Energy: 1.2614142640561168
Energy: 1.2638515671308543
Energy: 1.308757650629072
Energy: 1.3050452317202303
Energy: 1.2624443443883324
Energy: 1.315230720476014
Energy: 1.2693941594798561
Energy: 1.3187188478544054
Energy: 1.3021647773904999
Energy: 1.2954791228949532
Energy: 1.3582200742741488
Energy: 1.2757879560707102
Energy: 1.3155590860584183
Energy: 1.268423217478372
Energy: 1.2626753002400404
Energy: 1.257950366461947
Energy: 1.2742211120533184
Energy: 1.2551125109195853
Energy: 1.2485709318753242
Energy: 1.2720708982939173
Energy: 1.2701908693008304
Energy: 1.2864480562109915
Energy: 1.2862467578886188
Energy: 1.2273977907955227
Energy: 1.2650524235959544
Energy: 1.2643297616041966
Energy: 1.267349014003579
Energy: 1.2447264889239582
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Energy: 1.2662199343430456
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Energy: 1.252951835405421
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Energy: 1.2674134830992734
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Energy: 1.2677973883961529
Energy: 1.2958951026366603
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Energy: 1.277198672085411
Energy: 1.2599801652363674
Energy: 1.2674128286301745
Energy: 1.2874236302063071
Energy: 1.3205720877325284
Energy: 1.2766252199262333
Energy: 1.2631549651520981
Energy: 1.29293100379779
Energy: 1.2914466354465863
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Energy: 1.3498167111061032
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Energy: 1.270177143876834
Energy: 1.2542709811028632
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Energy: 1.268712964807232
Energy: 1.256503191883025
Energy: 1.274652614321601
Energy: 1.3490933753745016
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Energy: 1.26805648246894
Energy: 1.2560565047796077
Energy: 1.2735469239896695
Energy: 1.3446875239985914
Energy: 1.3328121743986896
Energy: 1.2740172944120092
Energy: 1.2552348897232581
Energy: 1.2670097430375005
Energy: 1.2390490107285914
Energy: 1.244135957087161
Energy: 1.2831748419324682
Energy: 1.2554021930946184
Energy: 1.2765933226511552
Energy: 1.24029610256913
Energy: 1.2990995826346179
Energy: 1.2795806221069541
Energy: 1.2828448607403073
Energy: 1.2548418538146437
Energy: 1.2705568513042054
Energy: 1.2416478769848662
Energy: 1.2568430641626982
Energy: 1.270868487099345
Energy: 1.254839469432857
Energy: 1.273449348540205
Energy: 1.263532529655597
Energy: 1.2591950634093019
Energy: 1.329659782103311
Energy: 1.2504311923925817
Energy: 1.256443738803367
Energy: 1.2297946269189202
Energy: 1.2582405080764572
Energy: 1.3210595149228197
Energy: 1.292755678569364
Energy: 1.238488387264781
Energy: 1.296596522824492
Energy: 1.3049601267813964
Energy: 1.2566436139081039
Energy: 1.2583132841821905
Energy: 1.2864932661589539
Energy: 1.327823451267909
Energy: 1.3049283840967278
Energy: 1.255382039653783
Energy: 1.260054865175884
Energy: 1.2708960762317267
Energy: 1.3153999760213029
Energy: 1.240537268607884
Energy: 1.2297655578698707
Energy: 1.2331000590959043
Energy: 1.306406630360067
Energy: 1.3049385065749608
Energy: 1.2405636006546645
Energy: 1.2654737324325032
Energy: 1.2575352628893206
Energy: 1.3653605047877133
Energy: 1.2766902189047484
Energy: 1.2951370095992882
Energy: 1.277463213654772
Energy: 1.274805230692558
Energy: 1.360031080372283
Energy: 1.2733901902750422
Energy: 1.2376520136965607
Energy: 1.2992351746087456
Energy: 1.2764811568255585
Energy: 1.3454207151598359
Energy: 1.2548337644591692
Energy: 1.2479699858455722
Energy: 1.2387966375352468
Energy: 1.3066072004072704
Energy: 1.233895172263325
Energy: 1.23866067110751
Energy: 1.2901508639744124
Energy: 1.245209545035527
Energy: 1.3192601940674853
Energy: 1.2732137966340435
Energy: 1.2558085105728491
Energy: 1.2210885440472083
Energy: 1.2459053228922174
Energy: 1.2394428799600172
Energy: 1.2362918300821104
Energy: 1.269543916618782
Energy: 1.2200915031708932
Energy: 1.2447744054387984
Energy: 1.2846256789861974
Energy: 1.3578990795191654

minimum gb energy = 1.2200915031708932 eV
minimum distance =  2.20647613246423 Angstroms
sigma value = 165


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

Energy: 1.5534060482418974
Energy: 1.1935455658217309
Energy: 1.2014454662939438
Energy: 1.1866751487103744
Energy: 1.192681111058741
Energy: 1.120406284844636
Energy: 1.2040329866872175
Energy: 1.2016478618333453
Energy: 1.1864397542631948
Energy: 1.191766603953976
Energy: 1.1590041549820607
Energy: 1.1866280909562879
Energy: 1.188555737469394
Energy: 1.1654917153537447
Energy: 1.1764005726965125
Energy: 1.187991257000602
Energy: 1.1930899029507642
Energy: 1.189754736626873
Energy: 1.1669547566160352
Energy: 1.1455537898918062
Energy: 1.1714650603226269
Energy: 1.1889779520835206
Energy: 1.1843355655998926
Energy: 1.1681523580903954
Energy: 1.1669264180317622
Energy: 1.168183162117489
Energy: 1.1681539868319277
Energy: 1.1937016900476587
Energy: 1.168206413134452
Energy: 1.1657744042155604
Energy: 1.1250024313000861
Energy: 1.172338213274998
Energy: 1.1697633189382146
Energy: 1.1726874143112749
Energy: 1.1561547237712602
Energy: 1.1890619003245693
Energy: 1.1672540697690927
Energy: 1.170147212568018
Energy: 1.1728310298809688
Energy: 1.163394689139677
Energy: 1.1889244413216116
Energy: 1.1863313192500557
Energy: 1.1681689620458098
Energy: 1.1756251562500981
Energy: 1.1863545707167773
Energy: 1.1800441367971228
Energy: 1.1896585237598434
Energy: 1.1675093263558451
Energy: 1.1777021914518413
Energy: 1.1866720961408612
Energy: 1.1841104701143021
Energy: 1.1640859971464117
Energy: 1.2023904847542985
Energy: 1.1924920304052915
Energy: 1.185497663723502
Energy: 1.1845513558861016
Energy: 1.1638812498132927
Energy: 1.2029971942098372
Energy: 1.190578948519243
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Energy: 1.185967261155187
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Energy: 1.1855804730733743
Energy: 1.1258734153103778
Energy: 1.1663993210778136
Energy: 1.1759501708654547
Energy: 1.1875327294314708
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Energy: 1.1658653521164146
Energy: 1.176248044279788
Energy: 1.166520396316304
Energy: 1.1933675757878457
Energy: 1.2385436601805622
Energy: 1.1887770599434764
Energy: 1.2013478096686203
Energy: 1.1688315430287013
Energy: 1.1672917312600837
Energy: 1.238472827440974
Energy: 1.2061985770444026
Energy: 1.1803020580052517
Energy: 1.1673265239539712
Energy: 1.1201233034635694
Energy: 1.1637191786635124
Energy: 1.189589518872276
Energy: 1.17280224979535
Energy: 1.1691337162183375
Energy: 1.1886657857058651
Energy: 1.143083726525442
Energy: 1.188679410210486
Energy: 1.172489095739617
Energy: 1.1694652533424565
Energy: 1.1891426994486023
Energy: 1.1262624393394496
Energy: 1.1966562503481462
Energy: 1.1683225677265576
Energy: 1.1685028835279665
Energy: 1.1676795808142941
Energy: 1.1674692738502148
Energy: 1.1994637875258585
Energy: 1.1688133889069074
Energy: 1.1685769291596328
Energy: 1.163103839451068
Energy: 1.1707583179594692
Energy: 1.186609528137823
Energy: 1.169511248099565
Energy: 1.1686325059496385
Energy: 1.1662255207032732
Energy: 1.1681567618422382
Energy: 1.1872210207310459
Energy: 1.169092907735445
Energy: 1.1698934278027655
Energy: 1.1722860347751345
Energy: 1.1633065362047468
Energy: 1.1715601968611737
Energy: 1.1682291366633457
Energy: 1.1832564177881186
Energy: 1.2008790751652803
Energy: 1.163688162118139
Energy: 1.171777276049305
Energy: 1.1683567743855914
Energy: 1.1835858834984088
Energy: 1.201537548223204
Energy: 1.1698283204456519
Energy: 1.1865639501101033
Energy: 1.1860153162984433
Energy: 1.19398437870052
Energy: 1.166022110045597
Energy: 1.1713505305089928
Energy: 1.1849492390680438
Energy: 1.2065859209514942
Energy: 1.1947086871347972
Energy: 1.1666272433712996
Energy: 1.1905724718645658
Energy: 1.1715122410331922
Energy: 1.1879108865748311
Energy: 1.2032149390246831
Energy: 1.18654962195108
Energy: 1.1585158698599785
Energy: 1.1702403370189545
Energy: 1.1886682570098628
Energy: 1.2016314088122104
Energy: 1.187157161746756

minimum gb energy = 1.1201233034635694 eV
minimum distance =  2.23435532267892 Angstroms
sigma value = 41


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

Energy: 1.331020892815984
Energy: 1.1108327412180359
Energy: 1.1059539066317794
Energy: 1.0694126844629284
Energy: 1.102531467992502
Energy: 1.0322949316292747
Energy: 1.108703190936423
Energy: 1.1170468055943048
Energy: 1.0766107209698264
Energy: 1.093813374679087
Energy: 1.0675606692428343
Energy: 1.0533047874657533
Energy: 1.0614784913463275
Energy: 1.0720395045715196
Energy: 1.0556731638184662
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Energy: 1.032170699856076
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Energy: 1.0860471853449116
Energy: 1.0507579758123577
Energy: 1.0471717036186647
Energy: 1.0746709056654435
Energy: 1.1661336312255133
Energy: 1.0745138040732025
Energy: 1.0404946165082978
Energy: 1.0261774644308939
Energy: 1.070632508087759
Energy: 1.0704715486952112
Energy: 1.0682652835319626
Energy: 1.0414275702595988
Energy: 1.067310477744117
Energy: 1.0678544150179923
Energy: 1.0569493950192554
Energy: 1.0298512977190226
Energy: 1.2116318623129168
Energy: 1.0263081861100136
Energy: 1.110304957559603
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Energy: 1.0386386744649803
Energy: 1.209327902636039
Energy: 1.067233178405103
Energy: 1.0583916183879047
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Energy: 1.0602018947205971
Energy: 1.046882606427085
Energy: 1.0866170369528432
Energy: 1.0468807155429407
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Energy: 1.0490811003333367
Energy: 1.1070490258208996
Energy: 1.066735651371247
Energy: 1.0499297073957317
Energy: 1.0498116084439058
Energy: 1.0270038811384405
Energy: 1.0710073439710008
Energy: 1.0670679066417905
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Energy: 1.0489412488432859
Energy: 1.0269288851650418
Energy: 1.0626152956639692
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Energy: 1.0504741551450973
Energy: 1.0372643241674275
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Energy: 1.0770833056734017
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Energy: 1.0503743019874792
Energy: 1.0825473694477636
Energy: 1.071991250450817
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Energy: 1.049808271737632
Energy: 1.0615900179696458
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Energy: 1.1457412446684103
Energy: 1.0493544223317623
Energy: 1.0577580006155975
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Energy: 1.0569852893615315
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Energy: 1.0705489830460966
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Energy: 1.0486172467804977
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Energy: 1.0945708236401872
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Energy: 1.0577592013655996
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Energy: 1.0489032530225368
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Energy: 1.0991894470900474
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Energy: 1.130434503662898
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Energy: 1.0720396725540002
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Energy: 1.1451828940593023
Energy: 1.0888956153737142
Energy: 1.0696525428180559
Energy: 1.082355667705006
Energy: 1.2052213394564786
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Energy: 1.0141521906238002
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Energy: 1.0425018098787155
Energy: 1.0168803865359453
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Energy: 1.053651284890251
Energy: 1.0567102076732044
Energy: 1.0305273456560098
Energy: 1.122197032719424
Energy: 1.0743484748482375
Energy: 1.1171667151360012
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Energy: 1.0299823318045183
Energy: 1.092145868238835
Energy: 1.086456009730045
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Energy: 1.1209826345847067
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Energy: 1.0809515931139342
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Energy: 1.07057604451573
Energy: 1.0617303447537476
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Energy: 1.1515220502708818
Energy: 1.0490777010920318
Energy: 1.0439070162764506
Energy: 1.026654541877443
Energy: 1.049466560509578
Energy: 1.0498965215965002
Energy: 1.069064653226776
Energy: 1.043820818945412
Energy: 1.0261146460705028
Energy: 1.0707622556153573
Energy: 1.061168475317395
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Energy: 1.039937581006385
Energy: 1.0418058848960483
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Energy: 1.05017684019638
Energy: 1.0397967354732207
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Energy: 1.0493969525321718
Energy: 1.0660064731130854
Energy: 1.1096048290049951
Energy: 1.0844065008084622
Energy: 1.046111697209975
Energy: 1.0496309026057058
Energy: 1.0600841868150355
Energy: 1.073645734016074
Energy: 1.0844483466219508
Energy: 1.1406221327375394
Energy: 1.1050557330843949
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Energy: 1.0281617473230042
Energy: 1.0824076256799737
Energy: 1.1384472644582881
Energy: 1.0864281726599545
Energy: 1.0281033875277612
Energy: 1.0281950268784164
Energy: 1.1086259626127544
Energy: 1.1410180830055332
Energy: 1.0549873992443808
Energy: 1.049885388425291
Energy: 1.111087112108835
Energy: 1.1116531290762113
Energy: 1.0560896232521215
Energy: 1.05348558209339
Energy: 1.049144090784691
Energy: 1.10768747562252
Energy: 1.0634407267967074
Energy: 1.054784462237578
Energy: 1.0502987928642968
Energy: 1.0606908403118185
Energy: 1.100387308791135
Energy: 1.075854881854541
Energy: 1.033551083035991
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Energy: 1.0910960919805324
Energy: 1.0722030071373347
Energy: 1.0506914692185658
Energy: 1.0493742786273403
Energy: 1.3056516144086465
Energy: 1.0503345806028321
Energy: 1.0488413010418765
Energy: 1.0598048585628717
Energy: 1.0496779861974297
Energy: 1.2625107458806493
Energy: 1.0501703059781833
Energy: 1.0884055334820661
Energy: 1.0602186194415837
Energy: 1.0859634749557756
Energy: 1.071969425072246
Energy: 1.0683193435001412
Energy: 1.0435213434003399
Energy: 1.088071212000644
Energy: 1.0842625518726965
Energy: 1.0711034039652967
Energy: 1.0671234537148468
Energy: 1.070527020407402
Energy: 1.0886192506147492
Energy: 1.09289557642457
Energy: 1.1406318109673932
Energy: 1.0365779002326818
Energy: 1.0375285233677105
Energy: 1.097815344764044
Energy: 1.0931708912456544
Energy: 1.1438829882154424
Energy: 1.037136458891182
Energy: 1.0753213015767853
Energy: 1.0986995198023877
Energy: 1.099570705967465
Energy: 1.0887296480056403
Energy: 1.0432138885099123
Energy: 1.049744592261537
Energy: 1.1246083069547586
Energy: 1.099116823935357
Energy: 1.0893221417167414
Energy: 1.268837969795163
Energy: 1.0500389094690696
Energy: 1.1228865201975486
Energy: 1.075959454797593
Energy: 1.0198843295573272
Energy: 1.0140744486914188
Energy: 1.0681376891065288
Energy: 1.2040277420745835
Energy: 1.0767027025234839
Energy: 1.0140454340837972
Energy: 1.0137888208204937
Energy: 1.0671671150132953
Energy: 1.2036384269195746
Energy: 1.0760636176140124
Energy: 1.0146882608196184
Energy: 1.0292459340070879
Energy: 1.083891907995646
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Energy: 1.0582325040739886
Energy: 1.0144388846264585
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Energy: 1.0843667089993472
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Energy: 1.0891444515052857
Energy: 1.092958201601667
Energy: 1.085983888094532
Energy: 1.0510363816503523
Energy: 1.151744944052025
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Energy: 1.1501250410566284
Energy: 1.0697693504558192
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Energy: 1.0262390008109636
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Energy: 1.0533742161933082
Energy: 1.0593948918235399
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Energy: 1.085647418759325
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Energy: 1.06121164921091
Energy: 1.062569702434221
Energy: 1.0521773149560083
Energy: 1.0493980896867734
Energy: 1.0499787481023273
Energy: 1.0701606171014573
Energy: 1.200613722000182
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Energy: 1.0493201668406378
Energy: 1.0860037545368182
Energy: 1.0798959394961116
Energy: 1.1273319182044108
Energy: 1.0541969922042884
Energy: 1.07310487109681
Energy: 1.0782525209678042
Energy: 1.030365945135477
Energy: 1.1426992719267008
Energy: 1.067728278276274
Energy: 1.1526468098903673
Energy: 1.0507300624856188
Energy: 1.048928915776748
Energy: 1.1052487304351626
Energy: 1.0636534444647407
Energy: 1.1048238252084608
Energy: 1.0541753908948088
Energy: 1.0478023209048362
Energy: 1.0906550220455196
Energy: 1.035528126644088
Energy: 1.056985091415047
Energy: 1.0489844054594082
Energy: 1.0530889542677917
Energy: 1.0881115511937753
Energy: 1.0369973080095598
Energy: 1.0566245868003326
Energy: 1.048386184269548
Energy: 1.050304530010405
Energy: 1.0526909239792535
Energy: 1.05088239339734
Energy: 1.0666749242172007
Energy: 1.0700480610473928
Energy: 1.3127330385012888
Energy: 1.0493323037908242
Energy: 1.0508069489459222
Energy: 1.0625073932989018
Energy: 1.1051175485744469
Energy: 1.0750965674832904
Energy: 1.0489274578793146
Energy: 1.093128118306877
Energy: 1.0839326934944842
Energy: 1.0790584850572211
Energy: 1.0830927780119657
Energy: 1.049265741902261
Energy: 1.1884558522053197
Energy: 1.088764301695838
Energy: 1.084116356796478
Energy: 1.089589549557294
Energy: 1.1145890131845169
Energy: 1.0729029898338083
Energy: 1.1008352160315293
Energy: 1.0865974849662166
Energy: 1.1465385359920315
Energy: 1.0750598226813741
Energy: 1.0738361190190266
Energy: 1.1013659912820513
Energy: 1.0973231481603847
Energy: 1.1289936356230754
Energy: 1.0696751544264393
Energy: 1.067216163778947
Energy: 1.0860511344521848
Energy: 1.118376087979481
Energy: 1.0822999110788558
Energy: 1.0445437512587332
Energy: 1.0505799160997182
Energy: 1.0771613974968122
Energy: 1.1216447252444264
Energy: 1.0753212089607012
Energy: 1.073432747750265
Energy: 1.0506174260274566
Energy: 1.2100212346691221
Energy: 1.2098108647841692
Energy: 1.0281066949260353
Energy: 1.183446659568037
Energy: 1.051392717962913
Energy: 1.19162955953681
Energy: 1.0623465377569714
Energy: 1.0282458327524082

minimum gb energy = 1.0137888208204937 eV
minimum distance =  2.24651078617234 Angstroms
sigma value = 185


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

Energy: 1.0584671225649607
Energy: 0.9157648749111619
Energy: 0.6988371772853904
Energy: 0.780970409310417
Energy: 0.6526615999432707
Energy: 0.6729202484798407
Energy: 0.6736196162783822
Energy: 0.7717693274544181
Energy: 0.6988102690362055
Energy: 0.9048053864812375
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Energy: 0.6547008533523359
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Energy: 0.7657880377173786
Energy: 0.719367494564613
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Energy: 0.7004414853617991
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Energy: 0.703006377155312
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Energy: 0.6965357295620577
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Energy: 0.7932109565093605
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Energy: 0.6274058152135578
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Energy: 0.8170550122906104
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Energy: 0.8177721260473093
Energy: 0.7157741734779572
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Energy: 0.6361502227121364
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Energy: 0.6664903597053656
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Energy: 0.6618039935914969
Energy: 0.7516100186103257
Energy: 0.7112798897750877
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Energy: 0.6423183077496912
Energy: 0.8555272773039484
Energy: 0.6633333343747893
Energy: 0.7393699510279929
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Energy: 0.6766206335312865
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Energy: 0.6684133797436917
Energy: 0.6348444660561162
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Energy: 0.7790518395057038
Energy: 0.6806467396517653
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Energy: 0.6220499711032103
Energy: 0.6593517065181471
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Energy: 0.7501749819332695
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Energy: 0.6946292933024593
Energy: 0.641666667407298
Energy: 0.6627677264143743
Energy: 0.6767251025665436
Energy: 0.6684650233890465
Energy: 0.7679073512883551
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Energy: 0.6726521075714323
Energy: 0.5682428690264236
Energy: 0.5806170620486593
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Energy: 0.7521705819343657
Energy: 0.7020444594741703
Energy: 0.6978113951956273
Energy: 0.7356818875064594
Energy: 0.6596535929082816
Energy: 0.8388464815114184
Energy: 0.7118905381230378
Energy: 0.6171776250622916
Energy: 0.6155802400475556
Energy: 0.6586583957923552
Energy: 0.8464503419043129
Energy: 0.6555417858648376
Energy: 0.6924314421908235
Energy: 0.6873873112665417
Energy: 0.8117865184171795
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Energy: 0.704326947522842
Energy: 0.642019897151231
Energy: 0.6617914031146984
Energy: 0.6328787299012177
Energy: 0.6676843100500434
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Energy: 0.690597427657527
Energy: 0.6676379487193461
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Energy: 0.6970053297031179
Energy: 0.6139180443641771
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Energy: 0.6886000687282299
Energy: 0.6667928958834602
Energy: 0.6832149921969882
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Energy: 0.6914548658789861
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Energy: 0.8884424396483648
Energy: 0.7050804972816398
Energy: 0.5635923942904347
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Energy: 0.677193997412242
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Energy: 0.7111836178825734
Energy: 0.6603998271784967
Energy: 0.7000962612059886
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Energy: 0.7556944072934672
Energy: 0.6723558482902859
Energy: 0.6866075989474825
Energy: 0.6674779174956518
Energy: 0.7686337719224957
Energy: 0.8478923189670825
Energy: 0.6419993162449272
Energy: 0.75602677687353
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Energy: 0.717459709224889
Energy: 0.6615229982846137
Energy: 0.5496753610080573
Energy: 0.5501121407286893
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Energy: 0.66575652607404
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Energy: 0.8126409340013268
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Energy: 0.7500930898725937
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Energy: 0.6718270417970502
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Energy: 0.674336649702822
Energy: 0.8840270639073573
Energy: 0.6947600293232308
Energy: 0.6540150669165972
Energy: 0.640989339210677
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Energy: 0.6612420976457114
Energy: 0.734477539064491
Energy: 0.563414619176705
Energy: 0.6773719512030965
Energy: 0.6715845714509474
Energy: 0.84354407142299
Energy: 0.6762807865869661
Energy: 0.6178642905284722
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Energy: 0.6689713609476721
Energy: 0.7201168939497365
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Energy: 0.6111944525724785
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Energy: 0.682376152283202
Energy: 0.6908931466380857
Energy: 0.6588882383705176
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Energy: 0.7041574832984443
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Energy: 0.6462698281343755
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Energy: 0.6974158068940307
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Energy: 0.6741302614505315
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Energy: 0.6795179336322856
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Energy: 0.6499194669276497
Energy: 0.7689192294968896
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Energy: 0.6848431334037475
Energy: 0.6116868634096203
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Energy: 0.6569945137452153
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Energy: 0.6461638168158608
Energy: 0.7753018073490205
Energy: 0.7407141178505976
Energy: 0.688632733019883
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Energy: 0.6660342872824001
Energy: 0.7846211567623322
Energy: 0.6178698098387624
Energy: 0.6787998227962182
Energy: 0.7304605262151073
Energy: 0.6474420625909806
Energy: 0.6311984815426566
Energy: 0.6741454816974777
Energy: 0.6744626974602875
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Energy: 0.8605563903397182
Energy: 0.626774788863634
Energy: 0.6173837256095627
Energy: 0.6178520482720335
Energy: 0.6430095460876853
Energy: 0.6345759079651461
Energy: 0.681977192724612
Energy: 0.749387263262875
Energy: 0.6127785561423764
Energy: 0.7375502364114014
Energy: 0.6926272039973354
Energy: 0.7652719051543706
Energy: 0.6924886352447883
Energy: 0.6252230300749202
Energy: 0.7745922721315373
Energy: 0.7648700605232408
Energy: 0.7847068367127639
Energy: 0.6720989713273144
Energy: 0.7649746485415218
Energy: 0.7336053776697065
Energy: 0.8167534092438309
Energy: 0.7308867827901795
Energy: 0.6232212904392729
Energy: 0.6927751025740491
Energy: 0.6412501073824926
Energy: 0.7227571724947845
Energy: 0.7024522274257343
Energy: 0.7452170799482012
Energy: 0.7023909126640379
Energy: 0.8644650099587398
Energy: 0.7009978172316577
Energy: 0.6505563762417107
Energy: 0.6722955406551244
Energy: 0.7554485258121243
Energy: 0.8170457403831449
Energy: 0.7688518488361339
Energy: 0.8073780738846384
Energy: 0.71552639274376
Energy: 0.8015310963566477
Energy: 0.6936633748172707
Energy: 0.7419229113605468
Energy: 0.6104189449965077
Energy: 0.6117133691344512
Energy: 0.7312816801059915
Energy: 0.7923479999141337
Energy: 0.8103252654154339
Energy: 0.9194145619742983
Energy: 0.7395423162271817
Energy: 0.6874997087811026
Energy: 0.629134270823038
Energy: 0.6102423854156611
Energy: 0.6595195528374412
Energy: 0.6545827617262847
Energy: 0.6197883694217573
Energy: 0.6281514692946467
Energy: 0.9165844831609591

minimum gb energy = 0.5496753610080573 eV
minimum distance =  2.22423358329284 Angstroms
sigma value = 33


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

Energy: 1.1213834330163839
Energy: 0.9485791824116885
Energy: 0.9971488406776692
Energy: 0.9500096944403968
Energy: 0.9165298504828772
Energy: 0.9186117683338557
Energy: 0.9469789799762414
Energy: 1.029010106340202
Energy: 0.9666301371301718
Energy: 0.9385960267119557
Energy: 0.9321401177619377
Energy: 0.9682214307042265
Energy: 1.0032692571022546
Energy: 0.9944834587473841
Energy: 0.9684667141206146
Energy: 0.9259471575838705
Energy: 0.9498974053638976
Energy: 1.0134055808471112
Energy: 0.9953387076677179
Energy: 0.9703188934777247
Energy: 0.938035055802441
Energy: 1.0076364486308356
Energy: 1.007241465177955
Energy: 1.0382956890332755
Energy: 0.9242114347924749
Energy: 0.9233161771680323
Energy: 0.9899470182197045
Energy: 0.9900960881213833
Energy: 1.0449511179243354
Energy: 0.9242917715789276
Energy: 0.9233935198306427
Energy: 0.9910094604467021
Energy: 1.0258519658089815
Energy: 0.959097580724403
Energy: 1.0361655277801094
Energy: 0.9234925996182964
Energy: 1.034833319436931
Energy: 1.0076682174342504
Energy: 0.9864713790570818
Energy: 0.9280297246134667
Energy: 0.9689790759276986
Energy: 0.9719310202943301
Energy: 1.0354883453304047
Energy: 0.9365808182491576
Energy: 0.9230092896839386
Energy: 0.9725087048549418
Energy: 0.9822733984592793
Energy: 0.990325293085741
Energy: 0.9368463493716279
Energy: 0.9366309782042017
Energy: 0.9704821158595783
Energy: 0.9690543623277299
Energy: 0.9412612386403568
Energy: 0.959956678138331
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Energy: 0.9602146952956075
Energy: 0.94264868473793
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Energy: 1.0185603814871462
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Energy: 1.0368362594443137
Energy: 1.0231602207030408
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Energy: 0.9719833177472345
Energy: 0.9314133637679539
Energy: 0.9359015346183575
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Energy: 0.9362715732706661
Energy: 1.0031969123584976
Energy: 0.9312265477389777
Energy: 0.9361753247634528
Energy: 0.9360665033181018
Energy: 0.9361059968486559
Energy: 0.9321475116870727
Energy: 0.9460924950705163
Energy: 0.9492588744646352
Energy: 0.962142345588476
Energy: 0.9358995086370615
Energy: 0.9318892780660161
Energy: 0.9460645911530885
Energy: 0.9457229712190198
Energy: 0.9667808537508406
Energy: 1.0284635977973289
Energy: 0.9361596105178374
Energy: 0.9223688831034862
Energy: 0.9322433574233179
Energy: 0.9544535940109076
Energy: 0.9505625849861244
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Energy: 1.0126594554838326
Energy: 0.9325497907919417
Energy: 0.954643757853566
Energy: 0.9361018778376015
Energy: 0.9653350840827607
Energy: 1.033647451775278
Energy: 0.9316846434455405
Energy: 0.9324133655397012
Energy: 0.9360574611589774
Energy: 0.9636284558873262
Energy: 0.9550782785499727
Energy: 0.9316942273299338
Energy: 0.9330672469644273
Energy: 0.9716744668513569
Energy: 0.9525232043506113
Energy: 0.9363874118558518
Energy: 0.9499641948771513
Energy: 0.9255685654335686
Energy: 0.9764091545658966
Energy: 0.950944023092384
Energy: 0.9529739833975256
Energy: 0.9497560233474287
Energy: 0.9238728221025015
Energy: 0.9478931135057034
Energy: 0.9492112600029194
Energy: 0.9321380549839455
Energy: 0.9325078708405589
Energy: 0.9492238397266672
Energy: 0.9480031522664427
Energy: 0.9583289970998974
Energy: 0.9324889925464023
Energy: 0.9750811384156839
Energy: 0.9495290995125526
Energy: 0.943289988401205
Energy: 0.9754783209592527
Energy: 0.9319672269158904
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Energy: 0.9596453695810628
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Energy: 0.9358719583650527
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Energy: 0.9385602256769842
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Energy: 0.9476769794203753
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Energy: 1.065012823072284
Energy: 0.9477798047025793
Energy: 0.9414144044427909
Energy: 0.9246794226621918
Energy: 0.9843193525610245
Energy: 1.066112570314171
Energy: 0.9405922234735007
Energy: 0.9315210783712302
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Energy: 0.9517093441247131
Energy: 0.947479486052491
Energy: 0.9396231877980764
Energy: 0.929598534052946
Energy: 1.0557495937717707
Energy: 0.9665580599357999
Energy: 0.966763309235277
Energy: 0.9364465174828175
Energy: 0.9368075905803644
Energy: 1.0304053933141173
Energy: 0.9661894386535439
Energy: 0.9477325905887611
Energy: 0.9264537294668028
Energy: 0.939079558469027
Energy: 1.0418800567563262
Energy: 0.9507634510692916
Energy: 0.9665597034843839
Energy: 1.0737352787258545
Energy: 0.9472899355981816
Energy: 1.0087035908942252
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Energy: 0.9887291852560453
Energy: 0.9478420158683473
Energy: 0.99394585669732
Energy: 0.9492323839268133
Energy: 0.9305186703643255

minimum gb energy = 0.9165298504828772 eV
minimum distance =  2.19607417047047 Angstroms
sigma value = 219


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

Energy: 1.46205280943145
Energy: 1.1003062456782873
Energy: 1.2007384946799302
Energy: 1.201413283928803
Energy: 1.100080380594491
Energy: 1.1010692564662616
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Energy: 1.2025042074499883
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Energy: 1.153510004418736
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Energy: 1.2870756820908034
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Energy: 1.224576005267847
Energy: 1.284420734047595
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Energy: 1.1004015680117065
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Energy: 1.130454624986919
Energy: 1.2333656453545545
Energy: 1.1552683230735337
Energy: 1.3281411703254746
Energy: 1.100333782739186
Energy: 1.1303305362719687
Energy: 1.2362344649343031
Energy: 1.155668964953219
Energy: 1.155023359115488
Energy: 1.196198233479571
Energy: 1.2000520556864236
Energy: 1.1816967138150833
Energy: 1.153245782333554
Energy: 1.1549720040901634
Energy: 1.1963906080776565
Energy: 1.2416846724080726
Energy: 1.18027062447746
Energy: 1.1547591241142199
Energy: 1.1010386924976885
Energy: 1.1301209503586727
Energy: 1.2399920725476354
Energy: 1.2447988811019721
Energy: 1.1562355765409211
Energy: 1.1021897009402875
Energy: 1.1301574046011622
Energy: 1.2404014203685214
Energy: 1.24366212511963
Energy: 1.1550708056321601

minimum gb energy = 1.0999217194412625 eV
minimum distance =  2.22241990730906 Angstroms
sigma value = 15


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

Energy: 2.1407541141588364
Energy: 1.3769777994799335
Energy: 1.398473515366667
Energy: 1.3813802243840447
Energy: 1.389100060567679
Energy: 1.3546024110177386
Energy: 1.394946834306593
Energy: 1.4125663134164999
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Energy: 1.3696285766041392
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Energy: 1.4026014363530444
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Energy: 1.3870301889031214
Energy: 1.3711211788737325
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Energy: 1.4886005755002893
Energy: 1.3836308248693374
Energy: 1.3882007651193413
Energy: 1.3469856257160375
Energy: 1.3630347762965214
Energy: 1.4252330065192627
Energy: 1.4538663505702463
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Energy: 1.350930352640718
Energy: 1.382049736854089
Energy: 1.355244241763815
Energy: 1.3979024806944405
Energy: 1.344129599311956
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Energy: 1.3859136199475106
Energy: 1.3726143395638706
Energy: 1.3442416942989208
Energy: 1.347689036261618
Energy: 1.4262177215962417
Energy: 1.3928257826251953
Energy: 1.387250667218088
Energy: 1.3603027638936072
Energy: 1.3894724630084434
Energy: 1.4312501694149813
Energy: 1.3675224485022155
Energy: 1.3872956878181324
Energy: 1.3714417108028594
Energy: 1.3929896809910278
Energy: 1.427718822104879
Energy: 1.3672004428014761
Energy: 1.4240568154021407
Energy: 1.363658611644992
Energy: 1.3911091388391308
Energy: 1.38145920563559
Energy: 1.422097263776567
Energy: 1.430045967329727
Energy: 1.3635550593881032
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minimum gb energy = 1.3420753190941208 eV
minimum distance =  2.23711170713753 Angstroms
sigma value = 293


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

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Energy: 1.3644089891129534
Energy: 1.3265678921309951
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Energy: 1.4439381699173317
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Energy: 1.3547039717728535
Energy: 1.3722523038386987
Energy: 1.4092617290093756
Energy: 1.4450560736285982
Energy: 1.4131015557044764
Energy: 1.3626512502044947
Energy: 1.3618689125613361
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Energy: 1.3732024037528787
Energy: 1.3195749022911323
Energy: 1.4327052848928334
Energy: 1.3634066511533571
Energy: 1.3848784945105141
Energy: 1.354160437719469
Energy: 1.3224536240878855
Energy: 1.36801192498332
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Energy: 1.379925140966941
Energy: 1.4551362762591418
Energy: 1.3959527342302496
Energy: 1.367590809419169
Energy: 1.3696874639127503
Energy: 1.3756856024783564
Energy: 1.442119430179377
Energy: 1.4093498517582008
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Energy: 1.407489010435074
Energy: 1.3779819843171617
Energy: 1.3492966694402397
Energy: 1.3576810014608869
Energy: 1.3720216431140386
Energy: 1.4084267593203472
Energy: 1.3775156880388666
Energy: 1.3538042705157733
Energy: 1.358812674643051
Energy: 1.3690361600412382
Energy: 1.4652750345654117
Energy: 1.3785225967211592
Energy: 1.3661595225747127
Energy: 1.4100714139806894
Energy: 1.402623661507435
Energy: 1.4676177229561849
Energy: 1.3650499977263932
Energy: 1.4404866291152212
Energy: 1.4097093493626518
Energy: 1.3811609998026666
Energy: 1.3741310524147117
Energy: 1.5038328040905444
Energy: 1.369780804314738
Energy: 1.4557321319919403
Energy: 1.3727504616548087
Energy: 1.3719252436883727
Energy: 1.4463382062938748
Energy: 1.367233033687398
Energy: 1.4552310061727722
Energy: 1.436155476342775
Energy: 1.3784756048989297
Energy: 1.3673964540416836
Energy: 1.3661187934248353
Energy: 1.4129834622602822
Energy: 1.3186579329833268
Energy: 1.3773298663485911
Energy: 1.3672309194902115
Energy: 1.3665714726894624
Energy: 1.3791816030806028

minimum gb energy = 1.3179664801373343 eV
minimum distance =  2.19679239032712 Angstroms
sigma value = 293


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

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Energy: 1.2861248402027212
Energy: 1.3985863967707504
Energy: 1.304580559494699
Energy: 1.284502738341266
Energy: 1.3165957144618874
Energy: 1.301721258615699
Energy: 1.3981463988707796
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Energy: 1.2964316358509043
Energy: 1.2975698335813968
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Energy: 1.3063279045781429
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Energy: 1.2967750957477746
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Energy: 1.4009122213882534
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Energy: 1.3043824975236602
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Energy: 1.284974656138965
Energy: 1.284313602668783
Energy: 1.296846978406211
Energy: 1.3986060984815794
Energy: 1.2973510717144332
Energy: 1.2854793243666436
Energy: 1.2853682430299058
Energy: 1.300612220943903
Energy: 1.2975870390773023
Energy: 1.2963273472612633
Energy: 1.2865827385928326
Energy: 1.2877787808890482
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Energy: 1.2969558793219615
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Energy: 1.3988305230082556
Energy: 1.2984167630315684
Energy: 1.2963748039558098
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Energy: 1.2966831359373796
Energy: 1.3978881351269343
Energy: 1.3024291235988352
Energy: 1.2979490528646223
Energy: 1.2848382917017673
Energy: 1.3036340066395327
Energy: 1.2896374670817414
Energy: 1.2957831641282063
Energy: 1.2962531639884014
Energy: 1.3008158228442217
Energy: 1.3042597517995684
Energy: 1.2895958186037164
Energy: 1.2956323861875654
Energy: 1.29628685631271
Energy: 1.3003121387448597
Energy: 1.296818061013318
Energy: 1.399724316864222
Energy: 1.2986088812432006
Energy: 1.2855329417058567
Energy: 1.2851126263637493
Energy: 1.2983783470353467
Energy: 1.401903951407261
Energy: 1.30615483046055
Energy: 1.2902198168194647
Energy: 1.2880485150851988
Energy: 1.2969720325728102
Energy: 1.2842942103157906
Energy: 1.2952365784508504
Energy: 1.2847625263420916
Energy: 1.3977884275110684
Energy: 1.295978004380391
Energy: 1.2950426830810284
Energy: 1.2952126004503781
Energy: 1.2854075081412069
Energy: 1.2966002033521788
Energy: 1.2983107648134964
Energy: 1.2983945763043196
Energy: 1.401699939968116
Energy: 1.3029901254275689
Energy: 1.3041612960537772
Energy: 1.2996515332062475
Energy: 1.3122247299369252
Energy: 1.3967602072692331
Energy: 1.2991556148976302
Energy: 1.2999863247450196
Energy: 1.2877559601667343
Energy: 1.2963517617386642
Energy: 1.2990493172894086
Energy: 1.4003954480615628
Energy: 1.3997017165693717
Energy: 1.2856724768371814
Energy: 1.2962120152031538
Energy: 1.2878552018886544
Energy: 1.3003216477113353
Energy: 1.4002509134783192

minimum gb energy = 1.2840377578644604 eV
minimum distance =  2.22639077578793 Angstroms
sigma value = 15


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

Energy: 2.3200713571052867
Energy: 1.3660645273292364
Energy: 1.4797939665669209
Energy: 1.3953250437167042
Energy: 1.3487352619715876
Energy: 1.3474190131818211
Energy: 1.4330069671308656
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Energy: 1.364471089207622
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Energy: 1.3316180137742666
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Energy: 1.5285173337770865
Energy: 1.368196993279373
Energy: 1.3455669909980965
Energy: 1.3327031531448872
Energy: 1.3338228173041697
Energy: 1.4201614685976198
Energy: 1.3330235263350256
Energy: 1.3361714578178094
Energy: 1.3315307412413817
Energy: 1.3202656390445637
Energy: 1.4441089273356653
Energy: 1.341670483099714
Energy: 1.3267979501190064
Energy: 1.4750357591319383
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Energy: 1.4438829402335012
Energy: 1.3465482305182717
Energy: 1.4761451909398413
Energy: 1.487793645552362
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Energy: 1.4467931123898692
Energy: 1.3491791818734988
Energy: 1.4450459321100697
Energy: 1.475935327115484
Energy: 1.4739368928822036
Energy: 1.281123390034997
Energy: 1.347387839576993
Energy: 1.4765385514306164
Energy: 1.3531074904496214
Energy: 1.452064059849269
Energy: 1.4052339756606185
Energy: 1.4276699614300088
Energy: 1.4337253783885742
Energy: 1.3644602155637708
Energy: 1.4425348000796303
Energy: 1.4475698821130214
Energy: 1.346977556641442
Energy: 1.4340042427086377
Energy: 1.364961299433051
Energy: 1.4427127353555618
Energy: 1.448130598772753
Energy: 1.4507561339467447
Energy: 1.3959443064419612
Energy: 1.4432844780414287
Energy: 1.4403816399623717
Energy: 1.4635702408607287
Energy: 1.4518527075947758
Energy: 1.404337447493879
Energy: 1.446417721795182
Energy: 1.4265739808089417
Energy: 1.4679989758473018
Energy: 1.4665683407804442
Energy: 1.4516706188547626
Energy: 1.4309805014087924
Energy: 1.4639961416547278
Energy: 1.4668876642759898
Energy: 1.4658535941859165
Energy: 1.456595245435632
Energy: 1.4315958593546316
Energy: 1.4621437588534563
Energy: 1.4646604835808055
Energy: 1.4663805368727438
Energy: 1.4349747324354636
Energy: 1.4584537186827013
Energy: 1.3303214081285681
Energy: 1.5346144300044877
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Energy: 1.456447503813819
Energy: 1.4586928029787658
Energy: 1.330693296777229
Energy: 1.5219181485683424
Energy: 1.5264218967412018
Energy: 1.3308204175068605
Energy: 1.331250245759375
Energy: 1.466942631980305
Energy: 1.5755790485476906
Energy: 1.4897785770579988
Energy: 1.3313074189806784
Energy: 1.3312350726139512
Energy: 1.4659979839891735
Energy: 1.5326028677426304
Energy: 1.3303093046148968
Energy: 1.3316448939162482
Energy: 1.3287983294461543
Energy: 1.4335203426889258
Energy: 1.532975340819444
Energy: 1.3299827431476405
Energy: 1.3298206840784217
Energy: 1.329052126305975
Energy: 1.4885321070674482
Energy: 1.5292341189553595
Energy: 1.3312373945499063
Energy: 1.3317128360944506
Energy: 1.337492415299582
Energy: 1.4299657274263793
Energy: 1.422484140873309
Energy: 1.331366899867632
Energy: 1.330516055828161
Energy: 1.3378989365240923
Energy: 1.4363733668480203
Energy: 1.4223919643842293
Energy: 1.4158919715953748
Energy: 1.3595461388190175
Energy: 1.4189244192942996
Energy: 1.4561864624022178
Energy: 1.3325698161484543
Energy: 1.4052216982792087
Energy: 1.3733281091089977
Energy: 1.402743523280266
Energy: 1.4590155221031922
Energy: 1.331430229565573
Energy: 1.3512619577494018
Energy: 1.5505768055596254
Energy: 1.3863516933923563
Energy: 1.3324297869968929
Energy: 1.3326266583951933
Energy: 1.3835819071868232
Energy: 1.5507357749001105
Energy: 1.3101072792176816
Energy: 1.3348918978266215
Energy: 1.3326899181976102
Energy: 1.483512740758067
Energy: 1.4162180737774903
Energy: 1.3261786231521016
Energy: 1.3350368397344228
Energy: 1.331079669259906
Energy: 1.5195297042475246
Energy: 1.3680626207345716
Energy: 1.3264414040319046
Energy: 1.3334099511765298
Energy: 1.331446225794413
Energy: 1.4823374085071648
Energy: 1.4452340433688293
Energy: 1.3269474345306136
Energy: 1.3122371357722944
Energy: 1.439499118700274
Energy: 1.4812128678741894
Energy: 1.4442504324574064
Energy: 1.3305005209199467
Energy: 1.3113162327182994
Energy: 1.4381265708729394
Energy: 1.4763757315344135
Energy: 1.3105625541185315
Energy: 1.3438181386515122
Energy: 1.3479291881652458
Energy: 1.44095747061133
Energy: 1.4775856172699686
Energy: 1.310857617351188
Energy: 1.3443723848982678
Energy: 1.3505522367358689
Energy: 1.4402996442595248
Energy: 1.3661484599336642
Energy: 1.440863839311653
Energy: 1.3464732753599211
Energy: 1.34696440115152
Energy: 1.41780055112031
Energy: 1.3650496116055162
Energy: 1.4424348346883322
Energy: 1.3447606723162573
Energy: 1.346317625936139
Energy: 1.4164310005717249
Energy: 1.4286797089946366
Energy: 1.4177492451953668
Energy: 1.4647887248669538
Energy: 1.3780155997677423
Energy: 1.4410832478266569
Energy: 1.380637520789886
Energy: 1.4205630033704655
Energy: 1.463653816888393
Energy: 1.3835269296510002
Energy: 1.4430554035915335
Energy: 1.4973538622263005
Energy: 1.4629839084054477
Energy: 1.4649578185835619
Energy: 1.4493981563122285
Energy: 1.3404658849227467
Energy: 1.4942536252168048
Energy: 1.464385271586298
Energy: 1.4669158428802669
Energy: 1.4487973952043223
Energy: 1.3809887439631197
Energy: 1.4330832420953068
Energy: 1.4744627684273022
Energy: 1.4079730916144555
Energy: 1.5027827604784212
Energy: 1.4610608655318265
Energy: 1.4025920571229047
Energy: 1.5198393301715887
Energy: 1.5151970232393517
Energy: 1.498408394080602
Energy: 1.4589233255490663
Energy: 1.4942304391641235
Energy: 1.5277023379990406
Energy: 1.569080257214791
Energy: 1.4913672074732627
Energy: 1.328519529009097
Energy: 1.4926043030791454
Energy: 1.5704637372671062
Energy: 1.5319932245928318
Energy: 1.51632372715116
Energy: 1.3277504063834629
Energy: 1.3355392766395913
Energy: 1.4622244200978807
Energy: 1.3389080102672302
Energy: 1.3286619004297058
Energy: 1.3288255778706652
Energy: 1.3398868665723147
Energy: 1.4740369383574654
Energy: 1.3309831422573009
Energy: 1.3298363482569708
Energy: 1.335486074977684
Energy: 1.335518292170651
Energy: 1.457208974681501
Energy: 1.398852109284085
Energy: 1.328217600672011
Energy: 1.328607566302253
Energy: 1.42395030218806
Energy: 1.457306157382497
Energy: 1.4092814294719131
Energy: 1.328195497249187
Energy: 1.3290473453737517
Energy: 1.420970402374395
Energy: 1.4364229146036118
Energy: 1.335564089864098
Energy: 1.3430479056663909
Energy: 1.4248384465373993
Energy: 1.4222319283961518
Energy: 1.4584637626281494
Energy: 1.3352859132768298
Energy: 1.344008672009514
Energy: 1.4224625879983301
Energy: 1.3286273377253601
Energy: 1.3303171557385498
Energy: 1.4359524309415268
Energy: 1.5707359236009737
Energy: 1.344240097712197
Energy: 1.3092770760769763
Energy: 1.3292342751204644
Energy: 1.398977543453957
Energy: 1.5714443679372099
Energy: 1.3446001726570949
Energy: 1.328610332135758
Energy: 1.3317536645668637
Energy: 1.330824842610028
Energy: 1.4370035943835902
Energy: 1.3308004743303625
Energy: 1.3312560176476138
Energy: 1.3323948650746495
Energy: 1.3310807035669476
Energy: 1.364686409204749
Energy: 1.33079859094196
Energy: 1.3290785175290198
Energy: 1.3171855411700513
Energy: 1.4640317416003914
Energy: 1.4820060467846596
Energy: 1.427694534562697
Energy: 1.338019294129532
Energy: 1.4122338112246557
Energy: 1.4634856620752386
Energy: 1.4281335633279257
Energy: 1.3437575738714225
Energy: 1.3791076898765156
Energy: 1.4521501649480466
Energy: 1.4351557437184042
Energy: 1.4176874625000215
Energy: 1.2830229569315323
Energy: 1.3491440655690754
Energy: 1.4323817205328735
Energy: 1.4350517549117683
Energy: 1.3342477821245775
Energy: 1.2917952976182723

minimum gb energy = 1.281123390034997 eV
minimum distance =  2.19173730268242 Angstroms
sigma value = 437


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

Energy: 1.315545368275618
Energy: 1.2790742576768641
Energy: 1.4343289151690186
Energy: 1.4299379762879574
Energy: 1.2754730446849578
Energy: 1.2872500299326772
Energy: 1.2791091926326532
Energy: 1.4288422124894495
Energy: 1.414519692681573
Energy: 1.401559228403912
Energy: 1.3622937034366451
Energy: 1.483338789702833
Energy: 1.4498404141482037
Energy: 1.4483778956182496
Energy: 1.3515705891457748
Energy: 1.3616673561751278
Energy: 1.4832742213429786
Energy: 1.449679125924435
Energy: 1.4925612312919772
Energy: 1.383833593825384
Energy: 1.3664728097276653
Energy: 1.3792757772684845
Energy: 1.3698164727408961
Energy: 1.3202008474754976
Energy: 1.3718148629630937
Energy: 1.3643224165839916
Energy: 1.3788226948635298
Energy: 1.3707523966917181
Energy: 1.3172688831599326
Energy: 1.3716831578907123
Energy: 1.3157435461276465
Energy: 1.3159974778243282
Energy: 1.3507099822240312
Energy: 1.402581206170168
Energy: 1.3685371974160638
Energy: 1.317636056869339
Energy: 1.3205531771180579
Energy: 1.3493148541466995
Energy: 1.3543547694747966
Energy: 1.3748110578098922
Energy: 1.4026625704531626
Energy: 1.4669287250154457
Energy: 1.3144410768894075
Energy: 1.31311866277976
Energy: 1.332492390878722
Energy: 1.4038981743735015
Energy: 1.3525408178531355
Energy: 1.3145876158238523
Energy: 1.3620187987196521
Energy: 1.3117170488442478
Energy: 1.468049455904512
Energy: 1.313571769205599
Energy: 1.365708359012666
Energy: 1.352825393804605
Energy: 1.2870020463382388
Energy: 1.4018832777958739
Energy: 1.3127596558495673
Energy: 1.3662109598479277
Energy: 1.3570644670033591
Energy: 1.2872438665267958
Energy: 1.3631608808805147
Energy: 1.3704391342142588
Energy: 1.3684970130896077
Energy: 1.3535775383418382
Energy: 1.3792147126691487
Energy: 1.3628162439565628
Energy: 1.3698768665156373
Energy: 1.3686144323837275
Energy: 1.3682430800762615
Energy: 1.3687091931775486
Energy: 1.3807044439506084
Energy: 1.36633129095468
Energy: 1.3128608406262392
Energy: 1.4896635302136518
Energy: 1.4876052246969635
Energy: 1.3788486221726728
Energy: 1.365714583769094
Energy: 1.3137036983274575
Energy: 1.489110095138985
Energy: 1.4870869869442709
Energy: 1.3168263494759493
Energy: 1.3531192604263012
Energy: 1.355755635248218
Energy: 1.369818176944612
Energy: 1.315084024995623
Energy: 1.3142408335667501
Energy: 1.3523558165763891
Energy: 1.3580435783466225
Energy: 1.3698176017414363
Energy: 1.3129333079975747
Energy: 1.2784164542809682
Energy: 1.3106258814805543
Energy: 1.2820417683710736
Energy: 1.2980656279707652
Energy: 1.4621386620085657
Energy: 1.3555774375042888
Energy: 1.3110342985507524
Energy: 1.283366988887036
Energy: 1.3010096414933014
Energy: 1.4606764105892072
Energy: 1.283070602938801
Energy: 1.2765239828941022
Energy: 1.356137251180968
Energy: 1.2865028183348257
Energy: 1.2786384395854853
Energy: 1.2778179100411915
Energy: 1.2766368404590145
Energy: 1.460893123678659
Energy: 1.2872194803321122
Energy: 1.3137405164871032
Energy: 1.2929843275157724
Energy: 1.2911874862084494
Energy: 1.2854825524819626
Energy: 1.3404624661766895
Energy: 1.2860323295606335
Energy: 1.2796548803202998
Energy: 1.2765242544898328
Energy: 1.2863898875564925
Energy: 1.3492982992634037
Energy: 1.2830831890878045
Energy: 1.2774564585147075
Energy: 1.2916121391294222
Energy: 1.369070494864947
Energy: 1.3687624023342073
Energy: 1.3562237250920959
Energy: 1.283226876290008
Energy: 1.3135807915742554
Energy: 1.3709659206778624
Energy: 1.4913199220738955
Energy: 1.3548277166452993
Energy: 1.4039824406800276
Energy: 1.2788882127990442
Energy: 1.3494841856301192
Energy: 1.2899318038533996
Energy: 1.2774644332652867
Energy: 1.40307333338866
Energy: 1.282252835721145
Energy: 1.4587059930587933
Energy: 1.2886814216437963
Energy: 1.3339670698828057

minimum gb energy = 1.2754730446849578 eV
minimum distance =  2.24852154722254 Angstroms
sigma value = 33