Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.548374074697496
cohesive_energy=4.048047252937728
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.8186612868971796e-19, 3.6026864227450795e-19, 4.1916305316371397e-19, 4.64570341147908e-19, 4.9507418208263395e-19, 5.13965446774128e-19, 5.285148127874819e-19, 5.428719176047559e-19, 5.579435932007939e-19, 5.72701242176568e-19, 5.854561703598419e-19, 5.953303849551839e-19, 6.0292310002371e-19, 6.09583348291248e-19, 6.15878300286234e-19, 6.21739062413406e-19, 6.270566866616519e-19, 6.318872492131619e-19, 6.363044501930999e-19, 6.4026983736225e-19, 6.43655236589892e-19, 6.462731932098479e-19, 6.47941059085842e-19, 6.485178426740819e-19, 6.478673589606779e-19, 6.457572923336999e-19, 6.42065877368964e-19, 6.369292990803599e-19, 6.30943567175736e-19, 6.25212581355918e-19, 6.20801789082516e-19, 6.16860434562876e-19, 6.07023070030116e-19, 5.724336786786899e-19, 4.67917288136334e-19, 1.95044176893258e-19, -4.497726377562839e-19, -1.87677368730126e-18, -4.9032693271609194e-18, -1.1149242782445539e-17, -2.38402280962566e-17, -4.9473772498949396e-17, -1.0136458866795119e-16, -2.0742099139090796e-16, -4.27872485346138e-16, -8.98309997327754e-16, -1.93937072839164e-15, -4.35726355206006e-15]
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: 0.019844952947522414
Energy: 0.020177943552956497
Energy: 0.5410892128439084
Energy: 1.3602317484182596
Energy: 1.1863123216601077
Energy: 0.47582468935851313
Energy: 0.020281408472642738
Energy: 0.020467323061012583
Energy: 0.7639279447965788
Energy: 0.32415262758546765
Energy: 0.5462581770804782
Energy: 0.7713655089896843
Energy: 0.020401090278947306
Energy: 0.16265433477049046
Energy: 0.020775809008435404
Energy: 0.761096973995355
Energy: 0.7607112666229306
Energy: 0.5466048097418602
Energy: 0.7666952755142468
Energy: 0.16246543375024577
Energy: 0.1625827498804946
Energy: 0.019894287045549037
Energy: 0.7695087243659833
Energy: 0.5433185547464628
Energy: 1.392082030251404
Energy: 1.2029792342807737
Energy: 0.16302007369515437
Energy: 0.020281636111437476
Energy: 0.1631850433903172
Energy: 1.1279425954146267
Energy: 0.3265991519868052
Energy: 0.5476088409393786
Energy: 0.7674701489735155
Energy: 0.020267782072532957
Energy: 0.1625754158190849
Energy: 0.020087701685748593
Energy: 0.7617032071420802
Energy: 0.532509252296587
Energy: 0.5468726873602153
Energy: 0.7659427386011342
Energy: 0.16250749636798784
Energy: 0.1625887716884974

minimum gb energy = 0.019844952947522414 eV
minimum distance =  2.48935666138121 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.3331731064361403
Energy: 1.277236126720769
Energy: 1.4213839533688812
Energy: 1.2487626303135848
Energy: 1.3998216180548941
Energy: 1.4450939348124694
Energy: 1.2617439788091083
Energy: 1.2286753825016734
Energy: 1.2104313918559606
Energy: 1.2409175896214422
Energy: 1.3272528826242522
Energy: 1.304456870285121
Energy: 1.2659622312183338
Energy: 1.2953931425162688
Energy: 1.2940893005465552
Energy: 1.2695092696387649
Energy: 1.3123071970324725
Energy: 1.2351484294943742
Energy: 1.2635952680282205
Energy: 1.357108484325394
Energy: 1.2177370386665374
Energy: 1.2274087474130373
Energy: 1.3087964570958022
Energy: 1.2268994720225879
Energy: 1.256576220765786
Energy: 1.283232255155203
Energy: 1.2171223163835827
Energy: 1.2319560306909496
Energy: 1.3059428100583748
Energy: 1.294979274981347
Energy: 1.290026498298659
Energy: 1.250330475534628
Energy: 1.3342569019047412
Energy: 1.2896749579288693
Energy: 1.2817988187137266
Energy: 1.2567805139292065
Energy: 1.2426419412810794
Energy: 1.3154031646298536
Energy: 1.2191748388367185
Energy: 1.2246474778760106
Energy: 1.367176900108708
Energy: 1.3753451827227956
Energy: 1.2431491615526444
Energy: 1.2917307771529543
Energy: 1.322665573331186
Energy: 1.2236313858293333
Energy: 1.247411068693649
Energy: 1.3005979130332195
Energy: 1.2641010715932854
Energy: 1.2700179613171563
Energy: 1.2884653235868222
Energy: 1.33201137748155
Energy: 1.3064482720388626
Energy: 1.2652688095581823
Energy: 1.243506138055867
Energy: 1.36789358997452
Energy: 1.2275059871529972
Energy: 1.240786337021058
Energy: 1.2699731252543538
Energy: 1.2278270379996958
Energy: 1.283129094889643
Energy: 1.2505175759808023
Energy: 1.254433750550517
Energy: 1.221847201989502
Energy: 1.266515442496274
Energy: 1.362824810613839
Energy: 1.27705307243225
Energy: 1.3128973845259364
Energy: 1.3375975584106992
Energy: 1.2560906744907352
Energy: 1.2361435646402401
Energy: 1.2195445131535039
Energy: 1.27407759946373
Energy: 1.3015328107295945
Energy: 1.2470673915705464
Energy: 1.2718818902500968
Energy: 1.3328941672575474
Energy: 1.3400040016581034
Energy: 1.2861212585390243
Energy: 1.2365811867704517
Energy: 1.2851126624466804
Energy: 1.2830020359670247
Energy: 1.2429778702551133
Energy: 1.2406130854351651
Energy: 1.2025372495141584
Energy: 1.3475742868639562
Energy: 1.2334997634713256
Energy: 1.2857173998051454
Energy: 1.3126028583883889
Energy: 1.2101768305977252
Energy: 1.2865963703069376
Energy: 1.3597706451778802
Energy: 1.3522307305682948
Energy: 1.2844013934262282
Energy: 1.355628166641804
Energy: 1.3623573547198147
Energy: 1.2282184151486573
Energy: 1.368642518466233
Energy: 1.2188011729139705
Energy: 1.2486581625581603
Energy: 1.3355520969137507
Energy: 1.292834093199468
Energy: 1.2442195226740567
Energy: 1.256084046368704
Energy: 1.2568022685050266
Energy: 1.229119942622284
Energy: 1.3424179840546588
Energy: 1.2431056425233666
Energy: 1.2756515827630985
Energy: 1.2407004364997285
Energy: 1.2402355770001767
Energy: 1.3324979994655546
Energy: 1.2854081569399778
Energy: 1.3021935421185094
Energy: 1.3462894714229627
Energy: 1.2570650576611273
Energy: 1.2741648686399736
Energy: 1.2849819363415322
Energy: 1.275467394438583
Energy: 1.2062676073120802
Energy: 1.2480813493819916
Energy: 1.242182918253087
Energy: 1.2998241170391596
Energy: 1.3058328541640474
Energy: 1.291588524292638
Energy: 1.270552381280059
Energy: 1.2471881794857538
Energy: 1.311967133993179
Energy: 1.2278157492434014
Energy: 1.2177849312427047
Energy: 1.3062726680684582
Energy: 1.2598078480322452
Energy: 1.2478133112235577
Energy: 1.3162780814639845
Energy: 1.2408565312145767
Energy: 1.3625664997596587
Energy: 1.3325309697136507
Energy: 1.3187437119151935
Energy: 1.3014478765450803
Energy: 1.3103566128640656
Energy: 1.1937060382678184
Energy: 1.3083957367501011
Energy: 1.2471768367336273
Energy: 1.2651141707431484
Energy: 1.2440831870509887
Energy: 1.271558737520527
Energy: 1.3850880371303285
Energy: 1.3005230126719058
Energy: 1.2251776594288517
Energy: 1.3264915730639124
Energy: 1.3265566327013256
Energy: 1.2330536277862783
Energy: 1.335842167727203
Energy: 1.2293298778251098
Energy: 1.235417678999153
Energy: 1.248005918663509
Energy: 1.2104879721061335
Energy: 1.3018883509875547
Energy: 1.2465759753782673
Energy: 1.2311259678891018
Energy: 1.2532066642089466
Energy: 1.214452851593896
Energy: 1.2341188199706508
Energy: 1.3952042317226208
Energy: 1.2277996982045716
Energy: 1.3591290830450997
Energy: 1.295829038307983
Energy: 1.247280570274283
Energy: 1.2490095819692628
Energy: 1.253676302822991
Energy: 1.2311028927391614
Energy: 1.243663596992597
Energy: 1.2842693686061943
Energy: 1.2335381390680442
Energy: 1.2517797630144767
Energy: 1.2596735418799696
Energy: 1.2247671895651349
Energy: 1.2216240215095198
Energy: 1.2275059362558431
Energy: 1.2895354840088815
Energy: 1.3554427886523959
Energy: 1.215167739685088
Energy: 1.2441244039828474
Energy: 1.3598418397696015
Energy: 1.2525687216988994
Energy: 1.2670128916159336
Energy: 1.273437785939488
Energy: 1.328956998203337
Energy: 1.290388626972882
Energy: 1.266757924768622
Energy: 1.2734332154337893
Energy: 1.2126601871688658
Energy: 1.228026398543169
Energy: 1.2508281579163396
Energy: 1.2754370900355654
Energy: 1.2754417802036357
Energy: 1.29945968025643
Energy: 1.3328724136535894
Energy: 1.3060754465876043
Energy: 1.2709200196294668
Energy: 1.2167119952368954
Energy: 1.2469401655956929
Energy: 1.377409651062973
Energy: 1.2622281788715282
Energy: 1.3457301880100705
Energy: 1.2994722297782573
Energy: 1.2275689807006953
Energy: 1.2433959166834656
Energy: 1.3400602128064603
Energy: 1.2770483491501228
Energy: 1.2587542254456987
Energy: 1.227695790550345
Energy: 1.3440828796314503
Energy: 1.240899126567123
Energy: 1.219041085242675
Energy: 1.3132663355012346
Energy: 1.2295523972139966
Energy: 1.2094233386584163
Energy: 1.1957310082758184
Energy: 1.2328288302185477
Energy: 1.2437248635370164
Energy: 1.2833329733328653
Energy: 1.2042468303432117
Energy: 1.2867985149782528
Energy: 1.2963921618808956
Energy: 1.2866779965592474
Energy: 1.3510086402250627
Energy: 1.2720380649198741
Energy: 1.314962447787798
Energy: 1.3311821754530933
Energy: 1.2715199977565117
Energy: 1.2318821608105217
Energy: 1.3100724157535817
Energy: 1.2384505536091144
Energy: 1.3077689338644725
Energy: 1.293650127588457
Energy: 1.2027950223953014
Energy: 1.3730095282589831
Energy: 1.2674046172553626
Energy: 1.2917545189797839
Energy: 1.208344507673509
Energy: 1.322612802014363
Energy: 1.3078512519309262
Energy: 1.3009179830197275
Energy: 1.2696568417691294
Energy: 1.2199682182461131
Energy: 1.318877903341291
Energy: 1.2494761076235323
Energy: 1.2370826700134114
Energy: 1.2608852626295652
Energy: 1.2568829771003505
Energy: 1.2742591389908304
Energy: 1.3646524393707897
Energy: 1.2211400406602495
Energy: 1.308640184468194
Energy: 1.353451135255335
Energy: 1.344023209949821
Energy: 1.2298557319167018
Energy: 1.2036202603317445
Energy: 1.2366038498173564
Energy: 1.3560696698135388
Energy: 1.2422407306703673
Energy: 1.2919888280323701
Energy: 1.2843030324009534
Energy: 1.256630373903571
Energy: 1.2703484097499733
Energy: 1.2306400815804
Energy: 1.3336880029318092
Energy: 1.2476574056096803
Energy: 1.2479067831743051
Energy: 1.2582119481996341
Energy: 1.2538873035112055
Energy: 1.2427857636322326
Energy: 1.2818395224343804
Energy: 1.2984237201670883
Energy: 1.2920384461909948
Energy: 1.2590581307563502
Energy: 1.2697816512581155
Energy: 1.3499810265114494
Energy: 1.2327141402807342
Energy: 1.2635962446123823
Energy: 1.2520200479610033
Energy: 1.269845286120218
Energy: 1.250570038611284
Energy: 1.222513722667853
Energy: 1.2731730710973805
Energy: 1.3674657192210813
Energy: 1.282469480430646
Energy: 1.3444733668048257
Energy: 1.2251201946714805
Energy: 1.2562491066256678
Energy: 1.2868837095270378
Energy: 1.2254942071688524
Energy: 1.2584021427309096
Energy: 1.3359613311855545
Energy: 1.231933566509231
Energy: 1.3668097295185342
Energy: 1.3776024653393717
Energy: 1.3393073239362636
Energy: 1.3732534089620794
Energy: 1.2135760475775863
Energy: 1.1965200694891742
Energy: 1.375628640696749
Energy: 1.2067764932139031
Energy: 1.2623660053504853
Energy: 1.250391997980906
Energy: 1.2207463881694116
Energy: 1.2773095385058
Energy: 1.2574249884939002
Energy: 1.229860303839297
Energy: 1.2805946755981776
Energy: 1.271099172032438
Energy: 1.2904784799775109
Energy: 1.244369575475572
Energy: 1.2236185510725393
Energy: 1.2403780714897779
Energy: 1.3106836831168196
Energy: 1.2429264548699401
Energy: 1.348571341991071
Energy: 1.2669264683120902
Energy: 1.2463089951504231
Energy: 1.220945944151764
Energy: 1.2122048771750398
Energy: 1.2243709633409876
Energy: 1.402481279649646
Energy: 1.2481404187592084
Energy: 1.2889619669023427
Energy: 1.3151377396843433
Energy: 1.2523193790269707

minimum gb energy = 1.1937060382678184 eV
minimum distance =  2.23262433316061 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4486556900816236
Energy: 1.2433496626494582
Energy: 1.3059176887971509
Energy: 1.3926075007144654
Energy: 1.646390979175554
Energy: 1.3085862621903837
Energy: 1.257271292134084
Energy: 1.23329649953032
Energy: 1.2610619950510495
Energy: 1.2318591123756262
Energy: 1.2314620142768138
Energy: 1.223671618566051
Energy: 1.398349916487387
Energy: 1.278328425622152
Energy: 1.334309340139731
Energy: 1.2705766148495996
Energy: 1.229339343522781
Energy: 1.2231298923783658
Energy: 1.2693319219884711
Energy: 1.3035537060890945
Energy: 1.2847798031028996
Energy: 1.3294335137811535
Energy: 1.2418515243361303
Energy: 1.3378580024919435
Energy: 1.2898846937463657
Energy: 1.2531199622853075
Energy: 1.3402801132665372
Energy: 1.41629946463804
Energy: 1.2223386956867333
Energy: 1.3357803644924815
Energy: 1.2815373145905378
Energy: 1.2255280522307659
Energy: 1.2171519101210968
Energy: 1.340541826595906
Energy: 1.4267902439250977
Energy: 1.3729214815631248
Energy: 1.3018805880177418
Energy: 1.2483893738312826
Energy: 1.2201814540408236
Energy: 1.2213395289795077
Energy: 1.22992685188119
Energy: 1.3111315681666573
Energy: 1.3054174654205772
Energy: 1.2309584178676318
Energy: 1.487396422215351
Energy: 1.2501183142916454
Energy: 1.2456903200212606
Energy: 1.2051853396607597
Energy: 1.2702683140988518
Energy: 1.2673825815178221
Energy: 1.2805030759441138
Energy: 1.2418911473726097
Energy: 1.211258905712539
Energy: 1.2621527923017528
Energy: 1.3200294023058157
Energy: 1.338194053129217
Energy: 1.2974618853151596
Energy: 1.2468250796092346
Energy: 1.2598234054925466
Energy: 1.2314467691550246
Energy: 1.2413412709377898
Energy: 1.2997334182651512
Energy: 1.29373363635255
Energy: 1.2242939592081654
Energy: 1.2551462091077994
Energy: 1.267095406541705
Energy: 1.1998255245630085
Energy: 1.3513820277917992
Energy: 1.295809736053139
Energy: 1.30217999396962
Energy: 1.1897290198103647
Energy: 1.2293349523250565
Energy: 1.2596598877373248
Energy: 1.2718110626524308
Energy: 1.318916139749205
Energy: 1.2655562927190662
Energy: 1.2927736969785568
Energy: 1.271181979462488
Energy: 1.2617784903662679
Energy: 1.25513386112117
Energy: 1.2409998807978302
Energy: 1.3971358454584968
Energy: 1.326026066569891
Energy: 1.282455833340091
Energy: 1.2929650758229356
Energy: 1.2774226454565492
Energy: 1.2774558597981394
Energy: 1.2237128684446508
Energy: 1.2576867757396475
Energy: 1.3329211874908409
Energy: 1.352149775320174
Energy: 1.3415746710581427
Energy: 1.2442533171103916
Energy: 1.4379733170807332
Energy: 1.252797027753499
Energy: 1.2422744455666725
Energy: 1.3787115127305263
Energy: 1.3017775603127013
Energy: 1.2727783309061729
Energy: 1.3313087607010876
Energy: 1.304863598728573
Energy: 1.2164993430859443
Energy: 1.2216199372869838
Energy: 1.3307009792084343
Energy: 1.3009791970989333
Energy: 1.2489482316519165
Energy: 1.3964478903257302
Energy: 1.2384634486550024
Energy: 1.2146351993079827
Energy: 1.2215810102727838
Energy: 1.3369936694332036
Energy: 1.3198848489196322
Energy: 1.2955124267912814
Energy: 1.2228547863499633
Energy: 1.3640140846125826
Energy: 1.2520435203800602
Energy: 1.2180516625708935
Energy: 1.3512141180189983
Energy: 1.3297104551727446
Energy: 1.21303428283971
Energy: 1.2888664401633971
Energy: 1.2796971674776505
Energy: 1.2335713946226448
Energy: 1.2700805973377487
Energy: 1.2772831181947897
Energy: 1.3643017336063727
Energy: 1.3506888019426242
Energy: 1.2455099473040385
Energy: 1.2819102702778744
Energy: 1.238151013577266
Energy: 1.4220618704872798
Energy: 1.3593871010806724
Energy: 1.2946233299230483
Energy: 1.2568986793277188
Energy: 1.259098644968339
Energy: 1.2725560128854854
Energy: 1.5003865267896015
Energy: 1.3060799148954805
Energy: 1.3060133445405355
Energy: 1.3050395658598943
Energy: 1.1870873423492638
Energy: 1.232139265402673
Energy: 1.242947903094372
Energy: 1.2213466424351085
Energy: 1.3517173674242178
Energy: 1.2648228795722423
Energy: 1.332465840284408
Energy: 1.1825564677227334
Energy: 1.2331617054715132
Energy: 1.2816975429424473
Energy: 1.25345510550722
Energy: 1.2556939263936746
Energy: 1.2953115244906361
Energy: 1.2487954969702009
Energy: 1.272500656911705
Energy: 1.2835486196365216
Energy: 1.2670534811780756
Energy: 1.221776970772618
Energy: 1.2600366614494825
Energy: 1.3211252699938445
Energy: 1.327363527968703
Energy: 1.2258504251642117
Energy: 1.244831767057016
Energy: 1.4244667092637653
Energy: 1.2886580796994105
Energy: 1.2839707230337731
Energy: 1.2814841576548093
Energy: 1.2717003025089124
Energy: 1.4228369678447101
Energy: 1.3301409764768204
Energy: 1.266878557538583
Energy: 1.2376696693461304
Energy: 1.2207193451576184
Energy: 1.224528620089376
Energy: 1.2976920458986896
Energy: 1.2925881939207013
Energy: 1.286739221106259
Energy: 1.1949740906325719
Energy: 1.2195087248346475
Energy: 1.216395715779565
Energy: 1.3317072248919628
Energy: 1.4081522514163018
Energy: 1.2991067778231449
Energy: 1.2463230283734386
Energy: 1.200075823415063
Energy: 1.2411723437994815
Energy: 1.2117618092768452
Energy: 1.3383721144277678
Energy: 1.3465828212945996
Energy: 1.5048230264452889
Energy: 1.2565944011064047
Energy: 1.2313385261032777
Energy: 1.241863453481176
Energy: 1.2292128168859744
Energy: 1.2710139202115158
Energy: 1.2832775739754172
Energy: 1.2757609147142048
Energy: 1.259223206321901
Energy: 1.286915860101176
Energy: 1.2864260513422991
Energy: 1.2444965714079148
Energy: 1.3420701671458817
Energy: 1.3173503909192352
Energy: 1.2719283499884915
Energy: 1.2670247881978705
Energy: 1.277218733676554
Energy: 1.3870617623809902
Energy: 1.394915127249599
Energy: 1.2440065810102638
Energy: 1.3160705386228708
Energy: 1.1842206299806852
Energy: 1.2339526916448245
Energy: 1.2645027730345235
Energy: 1.2147123180701092
Energy: 1.2112203931765373
Energy: 1.2860170633859411
Energy: 1.2854331328313546
Energy: 1.187034090516726
Energy: 1.237286336405185
Energy: 1.2366885456665853
Energy: 1.2510045710000588
Energy: 1.3064839888836925
Energy: 1.2625128694089238
Energy: 1.3130808288081177
Energy: 1.2244997894852463
Energy: 1.2507940835927422
Energy: 1.2206768377664199
Energy: 1.474469729181293
Energy: 1.2967622916814667
Energy: 1.35987430188708
Energy: 1.318133936206364
Energy: 1.2172605438381092
Energy: 1.2634113456747573
Energy: 1.3476317816921608
Energy: 1.2665498226121483
Energy: 1.2387526999122442
Energy: 1.2573698692046615
Energy: 1.293387150576972
Energy: 1.1870680717555933
Energy: 1.2814298578491214
Energy: 1.2638419477089247
Energy: 1.2455145997750654
Energy: 1.2423404089050272
Energy: 1.2328270908918137
Energy: 1.3270362009843268
Energy: 1.258071885070598
Energy: 1.2654545417563523
Energy: 1.2953180222402891
Energy: 1.2484034175162202
Energy: 1.2129825611564427
Energy: 1.224479895687624
Energy: 1.2710620341744252
Energy: 1.214951190533731
Energy: 1.3587676417279793
Energy: 1.2057960938799133
Energy: 1.243211238581099
Energy: 1.2108438653490776
Energy: 1.2266798696596652
Energy: 1.3077977631563378
Energy: 1.4768338632869358
Energy: 1.28471430180191
Energy: 1.359688341119667
Energy: 1.2465270609112726
Energy: 1.2089248507023413
Energy: 1.2636809332182173
Energy: 1.275424112194204
Energy: 1.2834025404567209
Energy: 1.2449376077069365
Energy: 1.3392532156725372
Energy: 1.437121491766852
Energy: 1.2706422401571174
Energy: 1.3479312140359792
Energy: 1.3267716440893973
Energy: 1.280910602472156
Energy: 1.2559412291137009
Energy: 1.2852825237948164
Energy: 1.2420846722208072
Energy: 1.266229848738342
Energy: 1.2846039983972017
Energy: 1.3035750858740447
Energy: 1.2328713581151387
Energy: 1.241587944458305
Energy: 1.23961777781946
Energy: 1.1952151269169928
Energy: 1.2606472187488413
Energy: 1.327875344379294
Energy: 1.27734005835853

minimum gb energy = 1.1825564677227334 eV
minimum distance =  2.24229729557701 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.19664824635902
Energy: 1.2864589038987488
Energy: 1.2431007779667207
Energy: 1.2671882120608906
Energy: 1.2446999267200252
Energy: 1.2196648694012624
Energy: 1.2940230042110537
Energy: 1.2370869761815475
Energy: 1.2894188443818233
Energy: 1.3091547521208406
Energy: 1.3356231977545678
Energy: 1.3133760510061352
Energy: 1.2370260885355664
Energy: 1.2482294858927414
Energy: 1.276212005020416
Energy: 1.2698467639526114
Energy: 1.2348986868451906
Energy: 1.2527036423937126
Energy: 1.2550729272508905
Energy: 1.2703895074434899
Energy: 1.2891355372214826
Energy: 1.2240420717363585
Energy: 1.3077107962726529
Energy: 1.2441044631085048
Energy: 1.3053136584881941
Energy: 1.3814289070111538
Energy: 1.280344535691819
Energy: 1.267046673853612
Energy: 1.2276629970485209
Energy: 1.2753587886438131
Energy: 1.2656695104488105
Energy: 1.3436254322539103
Energy: 1.2637599216131543
Energy: 1.2254588291312563
Energy: 1.2514895907424874
Energy: 1.2240326456592474
Energy: 1.2693446905256296
Energy: 1.2383038835531461
Energy: 1.266377904936133
Energy: 1.2378623467804142
Energy: 1.2210920111700514
Energy: 1.2403747420229294
Energy: 1.2275303941590188
Energy: 1.267244706224199
Energy: 1.4354039640049345
Energy: 1.2662958983712056
Energy: 1.2931141589484996
Energy: 1.227818526021192
Energy: 1.2676771986567716
Energy: 1.2677675691951993
Energy: 1.3104338771807247
Energy: 1.2512621891676703
Energy: 1.2958605118146884
Energy: 1.323908048018785
Energy: 1.318924714282662
Energy: 1.2745241052514722
Energy: 1.2536748850368993
Energy: 1.2787111585676296
Energy: 1.251830295330794
Energy: 1.2638570958045128
Energy: 1.2365711917300133
Energy: 1.2638198777067609
Energy: 1.2840751797362793
Energy: 1.2422699076381514
Energy: 1.3071816478899208
Energy: 1.2107990031544968
Energy: 1.2710798448431784
Energy: 1.3759640394270647
Energy: 1.217110112330642
Energy: 1.3441102372884182
Energy: 1.2567109520723287
Energy: 1.291379567371713
Energy: 1.2461859240855377
Energy: 1.2715439793439223
Energy: 1.3109206034206837
Energy: 1.2354208562631792
Energy: 1.234073493821726
Energy: 1.199644412747217
Energy: 1.2771201807528574
Energy: 1.2298194203991262
Energy: 1.2607475005138302
Energy: 1.2343240115397254
Energy: 1.2590260532684006
Energy: 1.2430866168488957
Energy: 1.2702019007119398
Energy: 1.2544810373151456
Energy: 1.3841164636180359
Energy: 1.284314602049725
Energy: 1.257885278737439
Energy: 1.2573708701569768
Energy: 1.2695077189661
Energy: 1.2726101884300365
Energy: 1.3430239427383335
Energy: 1.2257717753996915
Energy: 1.3438320203454477
Energy: 1.335896935396214
Energy: 1.3411939325410924
Energy: 1.3248305085702579
Energy: 1.3190315007504068
Energy: 1.2731337863830277
Energy: 1.2730966330719462
Energy: 1.248939121535175
Energy: 1.2775850099298436
Energy: 1.2900452624242915
Energy: 1.2660747388731717
Energy: 1.2438593063658234
Energy: 1.2876514424296346
Energy: 1.2269527851232742
Energy: 1.2662713852279037
Energy: 1.2980715716756408
Energy: 1.2045554913324887
Energy: 1.2359793305476496
Energy: 1.2070891873985614
Energy: 1.3120661686413448
Energy: 1.2465738967723308
Energy: 1.2433134039984657
Energy: 1.2928749136858255
Energy: 1.2474382538363573
Energy: 1.263109877471798
Energy: 1.209250523282636
Energy: 1.2786721184495304
Energy: 1.2648790042430493
Energy: 1.2588404872368695
Energy: 1.2396384343921247
Energy: 1.2358089469000937
Energy: 1.255326354576782
Energy: 1.2588941600009174
Energy: 1.291601562036601
Energy: 1.4455189131236097
Energy: 1.2618260259186145
Energy: 1.248762787832765
Energy: 1.2389611250672745
Energy: 1.2802799556762776
Energy: 1.320070295133713
Energy: 1.3694741018477614
Energy: 1.254512270269965
Energy: 1.371076569355901
Energy: 1.3241772893918704
Energy: 1.3130811370361504
Energy: 1.331384033202633
Energy: 1.2182544738350605
Energy: 1.2700152677297298
Energy: 1.2333958321199168
Energy: 1.269099899310702
Energy: 1.2697948217662776
Energy: 1.2574332926806746
Energy: 1.2777253999378073
Energy: 1.2147462517148
Energy: 1.279132865344856
Energy: 1.2658141638183928
Energy: 1.2564093927871816
Energy: 1.2610410593844665
Energy: 1.256805744487784
Energy: 1.2717133452832898
Energy: 1.2872654724933126
Energy: 1.2891749548872204
Energy: 1.255301496523111
Energy: 1.2790291973211556
Energy: 1.2718996126210462
Energy: 1.2196431089599926
Energy: 1.2495706971320562
Energy: 1.2262131077529315
Energy: 1.3663116607643853
Energy: 1.2586257082174377
Energy: 1.2712954523340763
Energy: 1.251165255172165
Energy: 1.2578858972143803
Energy: 1.2420308735497099
Energy: 1.4436092708587223
Energy: 1.2505403606477044
Energy: 1.2498658458653218
Energy: 1.2679738878584852
Energy: 1.2740969016014818
Energy: 1.2268378784951202
Energy: 1.270477755677451
Energy: 1.343885978144381
Energy: 1.2754734754495831
Energy: 1.2527659087780993
Energy: 1.372578785374436
Energy: 1.313072523980442
Energy: 1.3202740786323812
Energy: 1.3538590228424647
Energy: 1.2102170981348435
Energy: 1.2514630400746476
Energy: 1.3565695545337761
Energy: 1.249828117372377
Energy: 1.269547017014291
Energy: 1.265048336993386
Energy: 1.2932866525963587
Energy: 1.2148035709793912
Energy: 1.2885143921200877
Energy: 1.2853582640657704
Energy: 1.2576915811010174
Energy: 1.2358919916344016
Energy: 1.2455867650018324
Energy: 1.2745017638144218
Energy: 1.249769601013469
Energy: 1.3472958842494438
Energy: 1.2385997441099517
Energy: 1.2804910661520017
Energy: 1.3021526864886523
Energy: 1.2781614047259409
Energy: 1.2574480988144774
Energy: 1.3249584382708592
Energy: 1.2806361605034247
Energy: 1.210590336382675
Energy: 1.2860228749715457
Energy: 1.265774900584707
Energy: 1.238838461817614
Energy: 1.2447365375706432
Energy: 1.2716004410121942
Energy: 1.259898443644352
Energy: 1.2299519870265168
Energy: 1.2864568912430223
Energy: 1.237636878544872
Energy: 1.2696140497772659
Energy: 1.291834995703436
Energy: 1.2586482257183618
Energy: 1.2732827577155268
Energy: 1.2295508470716643
Energy: 1.2823744593082411
Energy: 1.3122298689152823
Energy: 1.3664214582118188
Energy: 1.2561285543888088
Energy: 1.220810314281708
Energy: 1.2488563255086524
Energy: 1.3443288506124518
Energy: 1.2501229356876047
Energy: 1.3129689943613978
Energy: 1.2410422569277462
Energy: 1.2984089821897287
Energy: 1.213951572860236
Energy: 1.302112016963996
Energy: 1.298792495974692
Energy: 1.2604088927496115
Energy: 1.2399858628218543
Energy: 1.2069813197333488
Energy: 1.2683697226327186
Energy: 1.2174158899052032
Energy: 1.3285364837171196
Energy: 1.2786414434839208
Energy: 1.349849773130358
Energy: 1.2861301401411767
Energy: 1.2533484966000883
Energy: 1.2779837056437098
Energy: 1.242607525860508
Energy: 1.3081663507235177
Energy: 1.2253758530915284
Energy: 1.3705262402805622
Energy: 1.2666802746213457
Energy: 1.217190084385554
Energy: 1.2711441796235938

minimum gb energy = 1.19664824635902 eV
minimum distance =  2.216244010914 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.1496862355365294
Energy: 1.1791358414043727
Energy: 1.6106310026192339
Energy: 1.5037929589794308
Energy: 1.295674819882579
Energy: 1.3364437881594924
Energy: 1.1176292570892115
Energy: 1.1642379716119073
Energy: 1.209420068741351
Energy: 1.3186533978491275
Energy: 1.2339288542549152
Energy: 1.1863317372258018
Energy: 1.2154193735663168
Energy: 1.2814777123845695
Energy: 1.2355560589852348
Energy: 1.2130967473990732
Energy: 1.2815019815714328
Energy: 1.234145917087807
Energy: 1.187917833060853
Energy: 1.2479979131626187
Energy: 1.244513584400536
Energy: 1.222687762679031
Energy: 1.1799190434806133
Energy: 1.3141562257837553
Energy: 1.1799271109793257
Energy: 1.2107158046532043
Energy: 1.3373182219089206
Energy: 1.3499390524527468
Energy: 1.2642161398290908
Energy: 1.1849131047210182
Energy: 1.3398888804378057
Energy: 1.2994710252792834
Energy: 1.1962701767032649
Energy: 1.261809709240428
Energy: 1.2392008176268583
Energy: 1.083196417591469
Energy: 1.1857704470441133
Energy: 1.2572743037975465
Energy: 1.1817388367569635
Energy: 1.243381611323619
Energy: 1.253484424893988
Energy: 1.2206367229316943
Energy: 1.2036379008732245
Energy: 1.237058887700574
Energy: 1.249793886421624
Energy: 1.2267335200447085
Energy: 1.1181081750100506
Energy: 1.1157026697197248
Energy: 1.2526952914494418
Energy: 1.08516074225672
Energy: 1.184834251270476
Energy: 1.2978389366680243
Energy: 1.1603286688194665
Energy: 1.3025832143884795
Energy: 1.3765730417012914
Energy: 1.2540107642741993
Energy: 1.084457920158297
Energy: 1.185887863311227
Energy: 1.3197512702973577
Energy: 1.2002503629192223
Energy: 1.177263035501278
Energy: 1.385866940492388
Energy: 1.2541322772709456
Energy: 1.205328351792122
Energy: 1.1791227715927504
Energy: 1.3623750037326552
Energy: 1.2461570107984061
Energy: 1.1912479587199951
Energy: 1.2428405250547445
Energy: 1.229952158027395
Energy: 1.2021522330160281
Energy: 1.206434813472785
Energy: 1.3497341673511103
Energy: 1.2059174755465951
Energy: 1.180706185237864
Energy: 1.2284302933407962
Energy: 1.3656332117468963
Energy: 1.2495951087740031
Energy: 1.186654238302699
Energy: 1.2055422798785131
Energy: 1.203425723134308
Energy: 1.234901853906037
Energy: 1.2596032243735793
Energy: 1.2273038563738128
Energy: 1.1103781477982817
Energy: 1.1821712068058365
Energy: 1.302731635598778
Energy: 1.248102716998289
Energy: 1.29647007205638
Energy: 1.4029479685068498
Energy: 1.2423398301328976
Energy: 1.2076670505380527
Energy: 1.220422963954059
Energy: 1.2797002414987808
Energy: 1.207553520653281
Energy: 1.1013485476940115
Energy: 1.1019172157857768
Energy: 1.2826177486576735
Energy: 1.0866643448452855
Energy: 1.2083526877325774
Energy: 1.2350599870038705
Energy: 1.213866496036866
Energy: 1.102094102446164
Energy: 1.0836052964485543
Energy: 1.2799019432600656
Energy: 1.1207024768263052
Energy: 1.323111538614125
Energy: 1.3194046763129308
Energy: 1.2493183780583892
Energy: 1.2974343128009793
Energy: 1.3349372157439645
Energy: 1.122345254115788
Energy: 1.2226234758692336
Energy: 1.2078489020541159
Energy: 1.3181378464853684
Energy: 1.2350788877154837
Energy: 1.1868183165217578
Energy: 1.2148720143407414
Energy: 1.2469284815065114
Energy: 1.2245218426884055
Energy: 1.2129010337618544
Energy: 1.281271555778306
Energy: 1.234093133322922
Energy: 1.1858220450346415
Energy: 1.2482387444345189
Energy: 1.2457754181377847
Energy: 1.2235069384264186
Energy: 1.179980149904632
Energy: 1.3127370629300217
Energy: 1.1803205611398468
Energy: 1.2106970404078448
Energy: 1.3371875647082738
Energy: 1.350156378250456
Energy: 1.2651936756611464
Energy: 1.185215671794774
Energy: 1.3400283346812514
Energy: 1.2999334304770278
Energy: 1.2106552076404855
Energy: 1.2605382588525602
Energy: 1.2399855954040677
Energy: 1.083554142314401
Energy: 1.1847409245283556
Energy: 1.2821450191325505
Energy: 1.1817540686459345
Energy: 1.2428351581605797
Energy: 1.0850709471190405
Energy: 1.2578320593648613
Energy: 1.2054000758274945
Energy: 1.24150668769687
Energy: 1.2496471326814036
Energy: 1.5368317719266216
Energy: 1.1172489157657293
Energy: 1.0998808824733748
Energy: 1.2517098492580725
Energy: 1.0860522175323761
Energy: 1.1851014452729367
Energy: 1.297288826567738
Energy: 1.1604688661369633
Energy: 1.3036476894552431
Energy: 1.3835266534117618
Energy: 1.2489907742209376
Energy: 1.0837726840161979
Energy: 1.1864434897908063
Energy: 1.3200657181825004
Energy: 1.199920757976046
Energy: 1.180401868355716
Energy: 1.3802561555463144
Energy: 1.2563144416494352
Energy: 1.2047695896996262
Energy: 1.1633026509633666
Energy: 1.3623172228721958
Energy: 1.2453218497684628
Energy: 1.1916830593121126
Energy: 1.2443152860305113
Energy: 1.242778942054792
Energy: 1.2054661080814155
Energy: 1.206830762130779
Energy: 1.3496643050124655
Energy: 1.2057830783356283
Energy: 1.1799725154037237
Energy: 1.2477775863464808
Energy: 1.366034232815929
Energy: 1.24976692535942
Energy: 1.1865652663894917
Energy: 1.209096390436127
Energy: 1.2032052076689144
Energy: 1.23505228013966
Energy: 1.277158720576278
Energy: 1.2279491510836087
Energy: 1.1047187709606536
Energy: 1.1820920637121688
Energy: 1.3027495424515714
Energy: 1.2474537140125166
Energy: 1.3041459104835635
Energy: 1.386094801428578
Energy: 1.2421237485596095
Energy: 1.2032557472725216
Energy: 1.2203093153878437
Energy: 1.2802182006101377
Energy: 1.208639333042511
Energy: 1.1013878109082338
Energy: 1.101879350212008
Energy: 1.1958516706723141
Energy: 1.0859503362370082
Energy: 1.2066699657798687
Energy: 1.2355633329404396
Energy: 1.160512363275983
Energy: 1.1019668859184693
Energy: 1.0840976984811634
Energy: 1.279789183337304

minimum gb energy = 1.083196417591469 eV
minimum distance =  2.27072389797256 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.5435254989949236
Energy: 1.1651092809192056
Energy: 1.143866429625211
Energy: 1.2188777308475718
Energy: 1.181768238277975
Energy: 1.1634368023923638
Energy: 1.1672286962233418
Energy: 1.2127080161149515
Energy: 1.1754721486962498
Energy: 1.2989584061474957
Energy: 1.2350896835636918
Energy: 1.1970767680863426
Energy: 1.3554113015415388
Energy: 1.285997187391046
Energy: 1.2306707140661484
Energy: 1.2345282978233096
Energy: 1.2675214654875429
Energy: 1.3317028318644855
Energy: 1.212598074715486
Energy: 1.4207870486952143
Energy: 1.2361539279084042
Energy: 1.3105454595011297
Energy: 1.2558120177657248
Energy: 1.2367915849919546
Energy: 1.1772137382417656
Energy: 1.1052072339117478
Energy: 1.21527012230897
Energy: 1.1744052644920047
Energy: 1.211590496801928
Energy: 1.198533717315674
Energy: 1.2131573022074085
Energy: 1.175679243665605
Energy: 1.17033689779941
Energy: 1.208896150470935
Energy: 1.1759578982039898
Energy: 1.1570694300621558
Energy: 1.1412871983949597
Energy: 1.2310821326895716
Energy: 1.1793604726821567
Energy: 1.1989496475427073
Energy: 1.162392515917642
Energy: 1.1482277571410795
Energy: 1.1888899586687693
Energy: 1.240887184179737
Energy: 1.2163586489912541
Energy: 1.141750742472656
Energy: 1.1591117457325895
Energy: 1.1610655755707266
Energy: 1.1811563921719739
Energy: 1.1655037044819927
Energy: 1.1695966723601006
Energy: 1.2711392830066495
Energy: 1.3441717195442615
Energy: 1.1991527530269823
Energy: 1.2242355682142059
Energy: 1.1250002701497164
Energy: 1.194703859937489
Energy: 1.1756891562396958
Energy: 1.2590382090827281
Energy: 1.2972904270224914
Energy: 1.1755397472520774
Energy: 1.214458308874115
Energy: 1.1738164759244538
Energy: 1.3545304936489464
Energy: 1.2193190654458876
Energy: 1.235528784283261
Energy: 1.1758979012838175
Energy: 1.247997913594743
Energy: 1.3674582596856524
Energy: 1.3179866531489615
Energy: 1.2077054422232825
Energy: 1.2753745816086772
Energy: 1.2506821326219097
Energy: 1.3160073354513218
Energy: 1.31852076369264
Energy: 1.3149651185170514
Energy: 1.2517380107264062
Energy: 1.233653662020543
Energy: 1.34218673319126
Energy: 1.4404769425933124
Energy: 1.2707698402424588
Energy: 1.4721538280567064
Energy: 1.4611839888754434
Energy: 1.2876918443785401
Energy: 1.4506614614283309
Energy: 1.1426657825457553
Energy: 1.3159301672276045
Energy: 1.2771241454390758
Energy: 1.105641593527535
Energy: 1.2585808800523974
Energy: 1.31637186808591
Energy: 1.4492141863368297
Energy: 1.1432629203829832
Energy: 1.236563225144465
Energy: 1.2649111168650315
Energy: 1.2298961256797933
Energy: 1.2202395250050648
Energy: 1.3876173500897626
Energy: 1.2822447420179566
Energy: 1.2730594489898288
Energy: 1.2277229010106807
Energy: 1.3949767492450935
Energy: 1.2117379297989264
Energy: 1.3587930199932208
Energy: 1.243633535520815
Energy: 1.380117582013442
Energy: 1.2434268320577755
Energy: 1.2453540866972699
Energy: 1.228297503209658
Energy: 1.1791373101703604
Energy: 1.2495711094486381
Energy: 1.324453546428389
Energy: 1.2130740516136655
Energy: 1.2702001274371977
Energy: 1.2188414231375073
Energy: 1.168824411766442
Energy: 1.103102200823279
Energy: 1.1932259072636764
Energy: 1.1680600029710344
Energy: 1.1566703068358988
Energy: 1.1428489562201243
Energy: 1.27173925134001
Energy: 1.2173676948534904
Energy: 1.24692587443583
Energy: 1.1807981998136934
Energy: 1.2278596701381947
Energy: 1.154945146967711
Energy: 1.1712475671561509
Energy: 1.3965598808149335
Energy: 1.1970177355125116
Energy: 1.1946718759184256
Energy: 1.1681082964735707
Energy: 1.1769109360938856
Energy: 1.1603419807223598
Energy: 1.1709206201017393
Energy: 1.2497449506448342
Energy: 1.1365008186120256
Energy: 1.1540907678181576
Energy: 1.2076306629285671
Energy: 1.206851669319047
Energy: 1.1940842647983227
Energy: 1.1753056966176745
Energy: 1.17098236342196
Energy: 1.2813437058533572
Energy: 1.261487006774924
Energy: 1.1257078163443266
Energy: 1.1731669919766816
Energy: 1.3533159251484197
Energy: 1.2340883740591175
Energy: 1.2419127036009165
Energy: 1.299944570191792
Energy: 1.1851867653974382
Energy: 1.1945397811735596
Energy: 1.334813344561577
Energy: 1.453187957421539
Energy: 1.2291433148627784
Energy: 1.1581754307220742
Energy: 1.2886191744535025
Energy: 1.2068288877686062
Energy: 1.3654051862971996
Energy: 1.3842569925513302
Energy: 1.1623773360946381
Energy: 1.3037757822325358
Energy: 1.2325537707349434
Energy: 1.271428822846991
Energy: 1.3319536021616327
Energy: 1.3321138136115833
Energy: 1.380619835249243
Energy: 1.4490112204041095
Energy: 1.1369653814487388
Energy: 1.2326691178016569
Energy: 1.307570153620801
Energy: 1.371510841163979
Energy: 1.2520673515009695
Energy: 1.2664623515979714

minimum gb energy = 1.103102200823279 eV
minimum distance =  2.27161423907221 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.3047548459704612
Energy: 1.3769121212849054
Energy: 1.178974844289202
Energy: 1.2370086725180478
Energy: 1.2068748424027458
Energy: 1.179168379313105
Energy: 1.2914522921272245
Energy: 1.2534911054336768
Energy: 1.3492035843476176
Energy: 1.4507067564143892
Energy: 1.2626979258111195
Energy: 1.3824121576337522
Energy: 1.2170011046962237
Energy: 1.3825926593221727
Energy: 1.3440632012109468
Energy: 1.3731692929543304
Energy: 1.2916873901164603
Energy: 1.3398588962919344
Energy: 1.2361097015632845
Energy: 1.3878693094992225
Energy: 1.4094633247164625
Energy: 1.1836333127718215
Energy: 1.3289114678029723
Energy: 1.2203134690377186
Energy: 1.245278464067179
Energy: 1.2591806641321786
Energy: 1.2143130685656538
Energy: 1.2680794666157469
Energy: 1.3722178917132684
Energy: 1.3064527670960149
Energy: 1.3535660957257125
Energy: 1.352352713767829
Energy: 1.2837529794336606
Energy: 1.3103758585493872
Energy: 1.3290287764258284
Energy: 1.3078193957402386
Energy: 1.2833455049101266
Energy: 1.3275011260298328
Energy: 1.136545200393892
Energy: 1.1420485970876195
Energy: 1.205863841340334
Energy: 1.2795013217745785
Energy: 1.2512818924134572
Energy: 1.1625408761326335
Energy: 1.2371220161208474
Energy: 1.342996169950013
Energy: 1.380745296875537
Energy: 1.2811226741006914
Energy: 1.242807921453135
Energy: 1.237959458033075
Energy: 1.1644351581513046
Energy: 1.118671426304069
Energy: 1.2582807770990232
Energy: 1.3547435939318466
Energy: 1.2060277540450968
Energy: 1.1972255538914374
Energy: 1.2078392629440218
Energy: 1.1806459029124847
Energy: 1.2048053602795146
Energy: 1.2099649748804753
Energy: 1.2124176003418077
Energy: 1.3629666763844297
Energy: 1.2786436068188025
Energy: 1.436906617497714
Energy: 1.2320743192281518
Energy: 1.356454798371784
Energy: 1.1235603640268326
Energy: 1.1162628527182665
Energy: 1.171904560115554
Energy: 1.1319244593498976
Energy: 1.178377220191949
Energy: 1.1670415419466962
Energy: 1.2046593988348755
Energy: 1.1352977572846887
Energy: 1.1185486265677844
Energy: 1.1671949999400735
Energy: 1.0994360061494162
Energy: 1.1979651524047175
Energy: 1.1087887739644806
Energy: 1.516202569859558
Energy: 1.2953746567847153
Energy: 1.3388258406413558
Energy: 1.41543136106944
Energy: 1.1805236287760081
Energy: 1.2609460604730496
Energy: 1.1163246424584496
Energy: 1.1347539567820983
Energy: 1.2103204676196986
Energy: 1.1943021533005602
Energy: 1.1899406916355022
Energy: 1.1113903497410527
Energy: 1.384722241492363
Energy: 1.1728241869924096
Energy: 1.2260045606789016
Energy: 1.1686066751833544
Energy: 1.163661987940393
Energy: 1.3168070172996382
Energy: 1.207794634811753
Energy: 1.24335091206338
Energy: 1.2728600050547827
Energy: 1.1882034882406514
Energy: 1.1648153855097534
Energy: 1.2207922238034248
Energy: 1.3284085015685076
Energy: 1.1860125103815757
Energy: 1.3728488665425873
Energy: 1.304676448578663
Energy: 1.14245168272752
Energy: 1.3810862122679528
Energy: 1.2751321223118277
Energy: 1.229298190824347
Energy: 1.2839045904459028
Energy: 1.1844287676173977
Energy: 1.3166857202738067
Energy: 1.313845711471137
Energy: 1.2189037108511316
Energy: 1.1928552478355825
Energy: 1.1824097206348174
Energy: 1.2670180876145793
Energy: 1.2413789288407149
Energy: 1.3316492899041839
Energy: 1.1958111408930785
Energy: 1.1516591605118922
Energy: 1.262399299871459
Energy: 1.2868216550039653
Energy: 1.330415347723503
Energy: 1.3772889186101982
Energy: 1.30762409122974
Energy: 1.4484994221970733
Energy: 1.2875819719074755
Energy: 1.3512332210763616
Energy: 1.1704252219133515
Energy: 1.313372517546154
Energy: 1.2498643722164628
Energy: 1.2493264856382218
Energy: 1.2349436943938923
Energy: 1.2571957377917244
Energy: 1.3035004241336492
Energy: 1.1581027022377608
Energy: 1.1373830123940591
Energy: 1.3827705849382534
Energy: 1.3543575683706401
Energy: 1.3266804368748542
Energy: 1.2296203709929812
Energy: 1.205970660928066
Energy: 1.3280617353949933
Energy: 1.3929623037555718
Energy: 1.2717472496607292
Energy: 1.3335727785721452
Energy: 1.278492532092509
Energy: 1.3605922678213132
Energy: 1.2377689439543451
Energy: 1.3288088976001846
Energy: 1.4237619424596049
Energy: 1.2343809365529315
Energy: 1.2939279160637127
Energy: 1.2407195345623727
Energy: 1.3018920041807474
Energy: 1.3805621076907375
Energy: 1.2675982904131327
Energy: 1.292477439321457
Energy: 1.537104158656048
Energy: 1.2682949335514135
Energy: 1.2662715505586908
Energy: 1.2895479905039133
Energy: 1.352921688151117
Energy: 1.21531072146438
Energy: 1.2387656426089684
Energy: 1.2431446945228481
Energy: 1.374538789745679
Energy: 1.2934602815418732
Energy: 1.2293309938074608
Energy: 1.236594683098611
Energy: 1.3891502998164622
Energy: 1.4141285180641971
Energy: 1.1875946302781093
Energy: 1.3327873264657302
Energy: 1.1506327480923473
Energy: 1.3412553385341703
Energy: 1.4657172120106423
Energy: 1.164271898985668
Energy: 1.2653677433782176
Energy: 1.288289967633985
Energy: 1.3094786872052844
Energy: 1.3366618132815111
Energy: 1.3518189767298274
Energy: 1.3069016723180058
Energy: 1.1220276446217001
Energy: 1.3305534204581193
Energy: 1.3060267729067687
Energy: 1.288180920300112
Energy: 1.4126014807395184
Energy: 1.1733493750649793
Energy: 1.1419977066963936
Energy: 1.1929554478678093
Energy: 1.2191837572800814
Energy: 1.2510239551655853
Energy: 1.1633433086616323
Energy: 1.3179662252903301
Energy: 1.340286529166609
Energy: 1.3140220915485412
Energy: 1.2755826594846944
Energy: 1.2286395160927113
Energy: 1.1926149002046722
Energy: 1.1236451024790395
Energy: 1.1355749241385966
Energy: 1.2608858117245132
Energy: 1.3523571789810094
Energy: 1.145185931832033
Energy: 1.1992289206729363
Energy: 1.1913759504137615
Energy: 1.177785571764643
Energy: 1.1339149283187575
Energy: 1.1816650306315077
Energy: 1.315912614443248
Energy: 1.5133800195060896
Energy: 1.272471078366405
Energy: 1.2994465237782402
Energy: 1.2468530064394296
Energy: 1.3534008906887696
Energy: 1.1187434771721263
Energy: 1.1228288797969677
Energy: 1.206758282845419
Energy: 1.119746668107221
Energy: 1.4392725921792624
Energy: 1.177525143178043
Energy: 1.2144629915759013
Energy: 1.1464601460018997
Energy: 1.119617725520135
Energy: 1.1084258091620616
Energy: 1.1010138716965066
Energy: 1.185703471722364
Energy: 1.108457307172053
Energy: 1.5178651379347488
Energy: 1.2953331546313163
Energy: 1.4065918925273577
Energy: 1.4163313913427162
Energy: 1.17452025614916
Energy: 1.1776749596097587
Energy: 1.1152367095891753
Energy: 1.134529987473098
Energy: 1.2100115002682466
Energy: 1.3302596571975802
Energy: 1.1707691845686639
Energy: 1.1106088689627032
Energy: 1.446582285915989
Energy: 1.156923052528647
Energy: 1.2268774467504437
Energy: 1.228516636959775
Energy: 1.1834840889517544
Energy: 1.316452938770901
Energy: 1.2344454524165922
Energy: 1.241158583433067
Energy: 1.3045559915735363
Energy: 1.43527492367409
Energy: 1.166647962048004
Energy: 1.114666514090061
Energy: 1.2772550196015462
Energy: 1.1368858511792372
Energy: 1.372222415378815
Energy: 1.303517656272823
Energy: 1.1374233641683893
Energy: 1.2500897432562228
Energy: 1.260783949984665
Energy: 1.2249635050530583
Energy: 1.2836371464425802
Energy: 1.1777724845845599
Energy: 1.1976907446510061
Energy: 1.238318691264117
Energy: 1.4360110554540901
Energy: 1.4119364999379773
Energy: 1.2364481257598594
Energy: 1.3118611105446065
Energy: 1.241219711974195
Energy: 1.3490513354867542
Energy: 1.2002474412720399
Energy: 1.1524605569815265
Energy: 1.2597250556276594
Energy: 1.3611184611273308
Energy: 1.3357981934172873
Energy: 1.3047059498992006
Energy: 1.3464678207763732
Energy: 1.4049166370924504
Energy: 1.2949126708079486
Energy: 1.3594035091676264
Energy: 1.1706956180599286
Energy: 1.3135777503643864
Energy: 1.3256057001461454
Energy: 1.3163698075048476
Energy: 1.2551914231988708
Energy: 1.458915292406696
Energy: 1.3348358782167018
Energy: 1.2144967367448536
Energy: 1.2985697046939448
Energy: 1.383929052367296
Energy: 1.3294882876224603
Energy: 1.328716193388288
Energy: 1.3684063393831771
Energy: 1.219749140565784
Energy: 1.3305669285817352
Energy: 1.3824257757355407
Energy: 1.267905185545254
Energy: 1.3368516433843565
Energy: 1.1930181503315698
Energy: 1.2296776784557824
Energy: 1.1479194720595254
Energy: 1.327821655660998
Energy: 1.4241353013428364
Energy: 1.3096453958164134
Energy: 1.2831557078571376
Energy: 1.2371142985957149
Energy: 1.283857383126701
Energy: 1.2562345713698397
Energy: 1.3735449016604355
Energy: 1.1568218004853983

minimum gb energy = 1.0994360061494162 eV
minimum distance =  2.27774174205998 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.2303297475312511
Energy: 1.0557963844761644
Energy: 1.0279654432268337
Energy: 1.0297246308068742
Energy: 1.0294359060614025
Energy: 1.027193386057474
Energy: 1.0603255096658533
Energy: 1.1150661101404906
Energy: 1.1796575150021642
Energy: 1.0446985557865058
Energy: 1.0419870198623122
Energy: 1.0412429531220864
Energy: 1.0437795721505143
Energy: 1.1794429645329707
Energy: 1.2016315888010467
Energy: 1.1796934023951293
Energy: 1.0443209598713887
Energy: 1.0437921425783552
Energy: 1.0436830306924714
Energy: 1.0432640334523382
Energy: 1.0286206104789812
Energy: 1.0275544327788166
Energy: 1.1793375980080096
Energy: 1.0440812038949232
Energy: 1.0467377594206755
Energy: 1.0439094367910458
Energy: 1.0432119331247687
Energy: 1.0316013657361305
Energy: 1.0312582675831647
Energy: 1.180633908033039
Energy: 1.0312053960333118
Energy: 1.179485698467242
Energy: 1.0409250758642208
Energy: 1.0331040903239939
Energy: 1.1805655353102567
Energy: 1.189027360871974
Energy: 1.1855377532381923
Energy: 1.0276617731032969
Energy: 1.029276164682587
Energy: 1.0278174717783921
Energy: 1.0440442813269843
Energy: 1.0314543888022216
Energy: 1.0423440632169039
Energy: 1.1788997115991229
Energy: 1.0434537949970202
Energy: 1.0429400953589363
Energy: 1.0424821417643695
Energy: 1.043532892581383
Energy: 1.1808069125184655
Energy: 1.0446308302997322
Energy: 1.1810160672270473
Energy: 1.043859512274667
Energy: 1.0431775952486309
Energy: 1.0432089510215636
Energy: 1.0445140016614616
Energy: 1.1805801977142385
Energy: 1.2023642343988303
Energy: 1.1800196364551423
Energy: 1.04471285275362
Energy: 1.0274309231711987
Energy: 1.0454083170525124
Energy: 1.0435406456549927
Energy: 1.0316063947851628
Energy: 1.0322926214683183
Energy: 1.1996322587902972
Energy: 1.0325331538385452
Energy: 1.179720293542821
Energy: 1.1788710220172731
Energy: 1.0340224640147357
Energy: 1.1953423856621934
Energy: 1.0264319364952819
Energy: 1.1798655288008606
Energy: 1.0445920756975204
Energy: 1.0415415656210267
Energy: 1.0444635711688874
Energy: 1.0438230121133587
Energy: 1.0317435192063338
Energy: 1.185104537577425
Energy: 1.1795598024165208
Energy: 1.0441040728329045
Energy: 1.043301193664805
Energy: 1.0438261274840563
Energy: 1.0437274432585981
Energy: 1.1793043847504394
Energy: 1.0448567132670619
Energy: 1.1794657635870878
Energy: 1.0435069192110418
Energy: 1.0418084763004303
Energy: 1.0424973401815087
Energy: 1.0436745824176725
Energy: 1.1800728566504322
Energy: 1.0287754690219673
Energy: 1.1854123175247828
Energy: 1.0282323935926745
Energy: 1.0285779458301914
Energy: 1.0299930034700455
Energy: 1.0261027718761158
Energy: 1.0301299491457059
Energy: 1.0307647290117752
Energy: 1.1957931208983406
Energy: 1.0328088144995529
Energy: 1.0388518296835076
Energy: 1.0439247964814682
Energy: 1.0443463791429592
Energy: 1.1791669319049223
Energy: 1.201291904850866
Energy: 1.179524192410748
Energy: 1.0445963339681543
Energy: 1.0436892354234462
Energy: 1.0437987584101849
Energy: 1.0433062086697007
Energy: 1.0303925624859247
Energy: 1.2013119517891662
Energy: 1.1795105348612547
Energy: 1.0439444791803474
Energy: 1.0440688692228643
Energy: 1.0434589902636195
Energy: 1.0438309040526392
Energy: 1.030584828845738
Energy: 1.0313783214376042
Energy: 1.1953516036071097
Energy: 1.0447989431171787
Energy: 1.0369392210627058
Energy: 1.0418270442521254
Energy: 1.0441439708861415
Energy: 1.1806426316157461
Energy: 1.0285073170874017
Energy: 1.180459747291941
Energy: 1.0282708911772809
Energy: 1.0283253315840326
Energy: 1.0292358495569462
Energy: 1.026817031324004
Energy: 1.0303383774029362
Energy: 1.0264663900301911
Energy: 1.1796695504261088
Energy: 1.044099825862045
Energy: 1.041401894823794
Energy: 1.0415771422681308
Energy: 1.0427602389470005
Energy: 1.1796066702355255

minimum gb energy = 1.0261027718761158 eV
minimum distance =  2.29973412199145 Angstroms
sigma value = 23