Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324655771256
cohesive_energy=4.122759316663293
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015606671558916981
Energy: 0.01576766754148113
Energy: 1.583289660610881
Energy: 0.016201155150699895
Energy: 0.0163978361592045
Energy: 1.5820356402636793
Energy: 0.015804877727722537
Energy: 0.0165918070517792
Energy: 0.20609603084148714
Energy: 0.37544134764060283
Energy: 0.1679865314690776
Energy: 0.37508707933228147
Energy: 0.37564309945738256
Energy: 0.1681870631916419
Energy: 0.1681266361450124
Energy: 0.37495109164275114
Energy: 0.3757767481814594
Energy: 0.16785069588215482
Energy: 0.37508871405280647
Energy: 0.20506831399900555
Energy: 0.1677892022086003
Energy: 0.16929717609617456
Energy: 0.37565102751210555
Energy: 0.2056590607387518
Energy: 0.16804423956067915
Energy: 0.16907063603948333
Energy: 0.20536250642079898
Energy: 0.16742396630720166
Energy: 0.16753088517878698
Energy: 0.2051980542991826
Energy: 0.3770327297100051
Energy: 0.16870720831825878
Energy: 0.37504132974051063
Energy: 0.20471782258759014
Energy: 0.16827055628934165
Energy: 0.01595540326938831
Energy: 0.2047206775274913
Energy: 0.3754575056884383
Energy: 0.016381850530056582
Energy: 0.016613904947053
Energy: 0.3756355079962539
Energy: 0.1673597860216224

minimum gb energy = 0.015606671558916981 eV
minimum distance =  2.44044964642089 Angstroms
sigma value = 5


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

Energy: 2.361091941037371
Energy: 1.6135902603972272
Energy: 1.7011099284879483
Energy: 1.230612108562694
Energy: 1.24198316527331
Energy: 2.0978590038390594
Energy: 1.6136284574557074
Energy: 1.2564749886285829
Energy: 1.2961029775735726
Energy: 1.2683068402839988
Energy: 1.2695170635136812
Energy: 1.289634564179618
Energy: 1.2595702155005408
Energy: 1.3098605648589414
Energy: 1.2275488312085114
Energy: 1.2675059182657158
Energy: 1.2594800196404399
Energy: 1.2574478375278284
Energy: 1.278187333435655
Energy: 1.2585966027172093
Energy: 1.263967416667792
Energy: 1.193681295884173
Energy: 1.2420630681761615
Energy: 1.2681134857041279
Energy: 1.230995581110806
Energy: 1.2633466770872488
Energy: 1.287670489601176
Energy: 1.2361091526714385
Energy: 1.279430138526653
Energy: 1.2391265372010039
Energy: 1.2464378072682412
Energy: 1.237990809844425
Energy: 1.253200265529918
Energy: 1.2492565042775128
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Energy: 1.2432009645936117
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Energy: 1.2878008086818782
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Energy: 1.259911561414836
Energy: 1.289857515065093
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Energy: 1.3158804599975154
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Energy: 1.2301782564225079
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Energy: 1.217003707484627
Energy: 1.2555314289376884
Energy: 1.264777850848268
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Energy: 1.2224380369090109
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Energy: 1.190210534824299
Energy: 1.2417587283618743
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Energy: 1.1826019722918106
Energy: 1.195778841195563
Energy: 1.2174390080221578
Energy: 1.1907875573598077
Energy: 1.1904377307571745
Energy: 1.2157173291157777
Energy: 1.2157162669969062
Energy: 1.3110071023707293
Energy: 1.2677887039278979
Energy: 1.2162204846720204
Energy: 1.2787727551561499
Energy: 1.2624545499865845
Energy: 1.2548214126396988
Energy: 1.264187652078561
Energy: 1.2093683109051148
Energy: 1.24826154486227
Energy: 1.2616657280916916
Energy: 1.2137440951165317
Energy: 1.2546348568287604
Energy: 1.2806749354146811
Energy: 1.2188291702360032
Energy: 1.2198556078157252
Energy: 1.2581224115445884
Energy: 1.260556889004374
Energy: 1.2529440558884795
Energy: 1.3012987379978882
Energy: 1.2595348638286696
Energy: 1.2576386180977897
Energy: 1.2888699551076275
Energy: 1.2710720160405922
Energy: 1.3171981218894577
Energy: 1.2798544942050987
Energy: 1.2781998924901246
Energy: 1.314688500238283
Energy: 1.279838934214712
Energy: 1.2583394354751134
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Energy: 1.2324084781541835
Energy: 1.249497498455779
Energy: 1.2488909408859787
Energy: 1.222452411769855
Energy: 1.278453961777471

minimum gb energy = 1.1460217411412217 eV
minimum distance =  2.25539043473494 Angstroms
sigma value = 401


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

Energy: 2.0650315583005634
Energy: 1.727714148622186
Energy: 1.371890322919999
Energy: 1.6955572071834826
Energy: 1.656309025435333
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Energy: 1.2744066248702954
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Energy: 1.3326420941892212
Energy: 1.2827583050501665
Energy: 1.3653639228349674
Energy: 1.3586455556281403
Energy: 1.2821237460891683
Energy: 1.3641960661765287
Energy: 1.3666680219094023
Energy: 1.3249604526693812
Energy: 1.3062175850608257
Energy: 1.3406132230809094
Energy: 1.3755128837759156
Energy: 1.2938275777307497
Energy: 1.3207761660296609
Energy: 1.325413251811257
Energy: 1.267854297604819
Energy: 1.2803436769815812
Energy: 1.2832852546827886
Energy: 1.265329462784452
Energy: 1.2461951220748815
Energy: 1.270504967834373
Energy: 1.3793281742450763
Energy: 1.6384675938857127
Energy: 1.7268335221761604
Energy: 1.2761015061576084
Energy: 1.5691932702477265
Energy: 1.7252694996961189
Energy: 1.356029232823982
Energy: 1.3072013493457797
Energy: 1.2698906799149081
Energy: 1.2535140320748095
Energy: 1.2948031370350166
Energy: 1.2555090605577843
Energy: 1.2562164487473704
Energy: 1.3516082849477722
Energy: 1.417792455457611
Energy: 1.3231616639687278
Energy: 1.3052324107086721
Energy: 1.320146985587345
Energy: 1.426719105491222
Energy: 1.321569513339723
Energy: 1.3161155834666842
Energy: 1.5113032407166187
Energy: 1.3918672995720611
Energy: 1.4966814959333414
Energy: 1.406870787330819
Energy: 1.402349349181218
Energy: 1.496479248381842
Energy: 1.3612607648537542
Energy: 1.39306130305998
Energy: 1.3473804404605787
Energy: 1.3052210230167467
Energy: 1.3330891274610885
Energy: 1.416102409608677
Energy: 1.4113312093168768
Energy: 1.3262590485726495
Energy: 1.2815187153079344
Energy: 1.2540963533201601
Energy: 1.2583830867317227
Energy: 1.3090082842634316
Energy: 1.2789852718593944
Energy: 1.2803773176201922
Energy: 1.2963652708127718
Energy: 1.2647536942702493
Energy: 1.248519845637054
Energy: 1.253694419654853
Energy: 1.2701909019194246
Energy: 1.2599144707350844
Energy: 1.2524278329629954
Energy: 1.2339942765341378
Energy: 1.2862326485894016
Energy: 1.2501930725450978
Energy: 1.258904180888301
Energy: 1.2731561283842496
Energy: 1.2433964282224466
Energy: 1.245435876790545
Energy: 1.275542278354012
Energy: 1.3113173387995345
Energy: 1.284038351375787
Energy: 1.344230026681848
Energy: 1.316985777458321
Energy: 1.2988568069434072
Energy: 1.3267901513557707
Energy: 1.3288101574211406
Energy: 1.2793659788885445
Energy: 1.2252411814555293
Energy: 1.3502523871862497
Energy: 1.290251434320913
Energy: 1.2928989344902406
Energy: 1.37057916133059
Energy: 1.3381206861283066
Energy: 1.276411011729396
Energy: 1.2931250881130263
Energy: 1.3608405791107634
Energy: 1.2993485387204573
Energy: 1.311252251457905
Energy: 1.3462239748490095
Energy: 1.303247739933867
Energy: 1.2006673726813637
Energy: 1.2449113944948687
Energy: 1.3572754068752853
Energy: 1.226803486174661
Energy: 1.192618181182352
Energy: 1.2717428659196748
Energy: 1.291496367238041

minimum gb energy = 1.192618181182352 eV
minimum distance =  2.21994859149427 Angstroms
sigma value = 311


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

Energy: 1.4544311132053067
Energy: 1.515769019997403
Energy: 1.6031747357410369
Energy: 1.4811110975671804
Energy: 1.4398304968230669
Energy: 1.4792136468649808
Energy: 1.477151775475877
Energy: 1.2304628815234533
Energy: 1.358408301033987
Energy: 1.3363385410040856
Energy: 1.2406460623969424
Energy: 1.321220862515849
Energy: 1.372115578205856
Energy: 1.359422938519562
Energy: 1.3976609809139056
Energy: 1.2762028812471677
Energy: 1.254254823882933
Energy: 1.2364191100254414
Energy: 1.2528669000513855
Energy: 1.3184000840092573
Energy: 1.2573290558693797
Energy: 1.416347682597709
Energy: 1.3354568619127234
Energy: 1.3020530101206647
Energy: 1.2377172514803847
Energy: 1.2956746889289832
Energy: 1.3154642680804083
Energy: 1.2914318886232083
Energy: 1.2633417515543688
Energy: 1.3591770386004849
Energy: 1.2856371500308457
Energy: 1.323087016187392
Energy: 1.3100256376127228
Energy: 1.3014896574889778
Energy: 1.2385228934200894
Energy: 1.4335737543696287
Energy: 1.4332106846575743
Energy: 1.435135327469336
Energy: 1.4369529302794835
Energy: 1.4432193532137625
Energy: 1.4120536281627973
Energy: 1.392333509166742
Energy: 1.4297338853137185
Energy: 1.4314866055135154
Energy: 1.4295572259779001
Energy: 1.4451785067256082
Energy: 1.4202644403067144
Energy: 1.4234468665529596
Energy: 1.4385508226660881
Energy: 1.3607104513759254
Energy: 1.316614102087136
Energy: 1.4451010291634825
Energy: 1.4399376102389876
Energy: 1.392224059246972
Energy: 1.4102631139152375
Energy: 1.4176414958254957
Energy: 1.327952382116526
Energy: 1.351399913524331
Energy: 1.3440447807579097
Energy: 1.3566167970934428
Energy: 1.289255369002558
Energy: 1.3401180010501406
Energy: 1.3972026158023276
Energy: 1.3593966949958591
Energy: 1.3769952579060156
Energy: 1.3852492023323875
Energy: 1.421929597412585
Energy: 1.3981390100713567
Energy: 1.3729109803797805
Energy: 1.370615438036937
Energy: 1.4022723958359242
Energy: 1.3228947387490382
Energy: 1.318377916767696
Energy: 1.3606802289456406
Energy: 1.3345975535115722
Energy: 1.3144120599064415
Energy: 1.3640650937207164
Energy: 1.4733483611920686
Energy: 1.3302755942732476
Energy: 1.454122744769468
Energy: 1.4841919050237182
Energy: 1.3490454858542786
Energy: 1.3242589491809829
Energy: 1.4063996437554938
Energy: 1.4891186955848559
Energy: 1.4958063780444493
Energy: 1.4655740753076254
Energy: 1.5003188039693807
Energy: 1.4960591174346507
Energy: 1.4667018525573619
Energy: 1.4994465584904366
Energy: 1.3780981335549598
Energy: 1.291246743834511
Energy: 1.332162340116565
Energy: 1.3616084836075355
Energy: 1.3680825607294052
Energy: 1.2946065219873166
Energy: 1.2999221507753138
Energy: 1.3451439699189334
Energy: 1.3377418647989
Energy: 1.344129330569931
Energy: 1.31993823745378
Energy: 1.3574254743977183
Energy: 1.3315032185458693
Energy: 1.3419186003490542
Energy: 1.3097830937963892
Energy: 1.4380827568235854
Energy: 1.2828885746973315
Energy: 1.4674919504280326
Energy: 1.3250227698930828
Energy: 1.393330605417497
Energy: 1.365775006770682
Energy: 1.3814066345262475
Energy: 1.380095975283795
Energy: 1.3595665908970769
Energy: 1.3375530891282028
Energy: 1.3763981810386476
Energy: 1.3606680636570538
Energy: 1.3484760649595688
Energy: 1.4094425679185436
Energy: 1.4324924457174597
Energy: 1.43048233993443
Energy: 1.4148679382726577
Energy: 1.4653855976813612
Energy: 1.430695698255578
Energy: 1.4199561010474984
Energy: 1.4255807518781827
Energy: 1.4592419645211343
Energy: 1.4186205244704841
Energy: 1.4121490269110175
Energy: 1.4723652330226338
Energy: 1.4308816442317212
Energy: 1.4163234205856494
Energy: 1.3837469436896717
Energy: 1.3080383007668466
Energy: 1.3462546708280898
Energy: 1.3153347438081837
Energy: 1.2206840537504238
Energy: 1.2288722182328335
Energy: 1.318285871532104
Energy: 1.3779569205896203
Energy: 1.3775001776822176
Energy: 1.3965360200285042
Energy: 1.2788008125480559
Energy: 1.3067875143627408
Energy: 1.3581970797467127
Energy: 1.2563714311234802
Energy: 1.3884399065141333
Energy: 1.2647956177751876
Energy: 1.212539305570739
Energy: 1.221428328202044
Energy: 1.2691024648417109
Energy: 1.3069085008608372
Energy: 1.415191271663892
Energy: 1.3852752695510713
Energy: 1.2286731672219116
Energy: 1.3052363333273331
Energy: 1.310700528803426
Energy: 1.3469319860516915
Energy: 1.3084662868581352
Energy: 1.2994172299519018
Energy: 1.472550692958171
Energy: 1.4311130487234698
Energy: 1.371604894104224
Energy: 1.3774104577123978
Energy: 1.3904761231060605
Energy: 1.3804554423516024
Energy: 1.3738111041622967
Energy: 1.398788457720946
Energy: 1.434357254434671
Energy: 1.3740410515169577
Energy: 1.375610746245411
Energy: 1.3933485622322797
Energy: 1.3879547302476036
Energy: 1.373017884672003
Energy: 1.3840867809997277
Energy: 1.2129117881466869
Energy: 1.191906104076023
Energy: 1.3035922770038495
Energy: 1.2130336327840625
Energy: 1.232942440884412
Energy: 1.3234723087634623
Energy: 1.3358938471222472
Energy: 1.22882048744183
Energy: 1.2101953694348486
Energy: 1.2313951019585287
Energy: 1.2271136228562747
Energy: 1.2158009845098505
Energy: 1.3747163211858715
Energy: 1.288501125424325
Energy: 1.2998586671729637
Energy: 1.4598795827293043
Energy: 1.145926885392037
Energy: 1.144823897991156
Energy: 1.30679919814947
Energy: 1.3176308054815589
Energy: 1.2654087812269992
Energy: 1.2314578184814746
Energy: 1.2793293631517306
Energy: 1.2384726622598996
Energy: 1.291117603235011
Energy: 1.2905119126395679
Energy: 1.3907658937042868
Energy: 1.4135373259863744
Energy: 1.43420163946801
Energy: 1.4878076153617035
Energy: 1.4421249852155675
Energy: 1.4013811708770345
Energy: 1.420330272354194
Energy: 1.4391598898025593
Energy: 1.4205378924195762
Energy: 1.3971139475073284
Energy: 1.4408139635843937
Energy: 1.4549669833720524
Energy: 1.406230897434585
Energy: 1.4138114209139574
Energy: 1.4196440635569498
Energy: 1.3278663756697138
Energy: 1.3338064122948647
Energy: 1.307971032129985
Energy: 1.3332255037721479
Energy: 1.2757366683084095
Energy: 1.2857998274055369
Energy: 1.2673069745338663
Energy: 1.3349412244460654
Energy: 1.4675766713310168
Energy: 1.3669691723672175
Energy: 1.4601008417714574
Energy: 1.464076345522792
Energy: 1.3491936138922995
Energy: 1.3284432247317832
Energy: 1.4504555549078506
Energy: 1.3575644632885857
Energy: 1.2664906068024104
Energy: 1.239947472653179
Energy: 1.2838891345948524
Energy: 1.292569874391196
Energy: 1.2768948620305036
Energy: 1.3495369506604011
Energy: 1.41484042701433
Energy: 1.4152298394756078
Energy: 1.3381000387266258
Energy: 1.3343767485998368
Energy: 1.3302966854721614
Energy: 1.3650876645059575
Energy: 1.4534532360757648
Energy: 1.4806701203043822
Energy: 1.41382576396866
Energy: 1.4626014682225084
Energy: 1.4132373002617864
Energy: 1.375869507894765
Energy: 1.415443185902182

minimum gb energy = 1.144823897991156 eV
minimum distance =  2.23274269816384 Angstroms
sigma value = 39


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

Energy: 1.4330264977659994
Energy: 1.4357290302472843
Energy: 1.2332291594895288
Energy: 1.4377292788263116
Energy: 1.4380478165000383
Energy: 1.398291443552789
Energy: 1.486654102300681
Energy: 1.2309209981871145
Energy: 1.2506829900906515
Energy: 1.3645740028201179
Energy: 1.285757912610055
Energy: 1.258661129471829
Energy: 1.2073115780284653
Energy: 1.2957246788463899
Energy: 1.2832368374381862
Energy: 1.2679085962863763
Energy: 1.2449607522414519
Energy: 1.2868552030131148
Energy: 1.2516928175611035
Energy: 1.2528178723158294
Energy: 1.3008606111692627
Energy: 1.3533429923587328
Energy: 1.174572429407526
Energy: 1.3102524732130545
Energy: 1.321286380116632
Energy: 1.2373247331708448
Energy: 1.1351430047983937
Energy: 1.3207260775921161
Energy: 1.245058947165459
Energy: 1.2197621615395968
Energy: 1.2526327691752577
Energy: 1.3075840457073298
Energy: 1.2472127938768407
Energy: 1.2505451884788399
Energy: 1.2362806067523355
Energy: 1.2395136660603088
Energy: 1.2373140976240289
Energy: 1.1932889580514303
Energy: 1.257208482336007
Energy: 1.2387713524359825
Energy: 1.1980712416437687
Energy: 1.2596968629460361
Energy: 1.235996964869959
Energy: 1.2394976505437552
Energy: 1.2025398636432385
Energy: 1.285843051654098
Energy: 1.2512913848771534
Energy: 1.2138645180212733
Energy: 1.240654237223155
Energy: 1.2624940633083999
Energy: 1.2514485443730152
Energy: 1.2420101201144766
Energy: 1.2851913902338934
Energy: 1.2462424045455165
Energy: 1.240269066896081
Energy: 1.2897333739262662
Energy: 1.2530262020604048
Energy: 1.2943156853280047
Energy: 1.2758647765622904
Energy: 1.3069490231851495
Energy: 1.2556067402614257
Energy: 1.4300341066504845
Energy: 1.3272190286361987
Energy: 1.347609080422738
Energy: 1.2933859662214675
Energy: 1.402241206808385
Energy: 1.3258947374214651
Energy: 1.3529240357883299
Energy: 1.41391928929717
Energy: 1.332443272028276
Energy: 1.2518204138788465
Energy: 1.2426950739025904
Energy: 1.2334270381822514
Energy: 1.315619549386768
Energy: 1.2575439522032754
Energy: 1.2422559450028747
Energy: 1.3091443487551357
Energy: 1.3240467710308728
Energy: 1.2346227688513862
Energy: 1.2398200739585723
Energy: 1.2851639570317233
Energy: 1.249980486347919
Energy: 1.2499784753884478
Energy: 1.2852767364311843
Energy: 1.3456150386403998
Energy: 1.270601553758665
Energy: 1.4668379227063018
Energy: 1.4293016623497787
Energy: 1.2718000390954196
Energy: 1.2153130587140708
Energy: 1.4324336084997706
Energy: 1.2938585831642035
Energy: 1.2535962058717964
Energy: 1.2996510899764182
Energy: 1.2863538765984706
Energy: 1.2505450448110944
Energy: 1.2660694348305461
Energy: 1.2869384597879554
Energy: 1.2329926625391425
Energy: 1.25127233054998
Energy: 1.4585123267939417
Energy: 1.2858478437706213
Energy: 1.2547690634061441
Energy: 1.4001416350918734
Energy: 1.3220352172533487
Energy: 1.4331914277585813
Energy: 1.3516231275697002
Energy: 1.3995153338115647
Energy: 1.4363161680609984
Energy: 1.4371399101959317
Energy: 1.4331221394613698
Energy: 1.4902634747395649
Energy: 1.284673613669775
Energy: 1.250738419198106
Energy: 1.210755482645794
Energy: 1.286073969007727
Energy: 1.2491316406948991
Energy: 1.2073321826853154
Energy: 1.2955378143877128
Energy: 1.2831188764709205
Energy: 1.203813720202681
Energy: 1.245216843598039
Energy: 1.2839281216743985
Energy: 1.2521992163010471
Energy: 1.2529962222272468
Energy: 1.300724285432973
Energy: 1.3553425012575686
Energy: 1.1745677359272064
Energy: 1.3101400716639775
Energy: 1.321286253117566
Energy: 1.2378346743017843
Energy: 1.1346156667648641
Energy: 1.3205884650169148
Energy: 1.2451091049096439
Energy: 1.2201397721961122
Energy: 1.2556146494217815
Energy: 1.2902496511294894
Energy: 1.248147149515136
Energy: 1.2506949878296032
Energy: 1.241649647645647
Energy: 1.2394930086887654
Energy: 1.2369842984771446
Energy: 1.192965966048487
Energy: 1.2589452426782783
Energy: 1.238700736293035
Energy: 1.1978068137245228
Energy: 1.2591510587706312
Energy: 1.25295485009058
Energy: 1.239154848863121
Energy: 1.201588526385277
Energy: 1.286384223479316
Energy: 1.2520179636356188
Energy: 1.2143997043639865
Energy: 1.2739999037718777
Energy: 1.2622278102201614
Energy: 1.2446550811093318
Energy: 1.2417900287436583
Energy: 1.2852833267744925
Energy: 1.2528576125017548
Energy: 1.2416754073701135
Energy: 1.2893476604802885
Energy: 1.2520462943641406
Energy: 1.2945736918756783
Energy: 1.2763714679882596
Energy: 1.3236576979968326
Energy: 1.3522824817423502
Energy: 1.4301505761272668
Energy: 1.3311717477865235
Energy: 1.3506520982670325
Energy: 1.294767497437225
Energy: 1.4022076105568246
Energy: 1.3083661084530533
Energy: 1.3531393497000836
Energy: 1.4136949781443662
Energy: 1.3324898235768068
Energy: 1.2604002294912007
Energy: 1.2474158385474687
Energy: 1.2335801932882404
Energy: 1.315681818602553
Energy: 1.2577495967055239
Energy: 1.2368052536502179
Energy: 1.3090868834031455
Energy: 1.3242095655074362
Energy: 1.2575083705446508
Energy: 1.2897973258167774
Energy: 1.2852426660597822
Energy: 1.2515389197509388
Energy: 1.2503069017512018
Energy: 1.4029564473271565
Energy: 1.345847534091485
Energy: 1.2705115008502488
Energy: 1.4803487286151817
Energy: 1.4376760425948092
Energy: 1.2716216763337844
Energy: 1.212149424774198
Energy: 1.4285988171908477
Energy: 1.2939143238134674
Energy: 1.2539278115896135
Energy: 1.300828398958546
Energy: 1.286594640497916
Energy: 1.250444538484148
Energy: 1.2660619664284036
Energy: 1.2867092539040403
Energy: 1.2310625654493443
Energy: 1.250942481712421
Energy: 1.462614223157537
Energy: 1.2859169931804983
Energy: 1.2550479907691734
Energy: 1.4000889192090205
Energy: 1.3333716117994006

minimum gb energy = 1.1346156667648641 eV
minimum distance =  2.24605029286886 Angstroms
sigma value = 21


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

Energy: 1.6589900433553042
Energy: 1.1739591739994955
Energy: 1.1466513224996715
Energy: 1.2585191424079951
Energy: 1.1741669128647956
Energy: 1.1846274635116236
Energy: 1.174254956689786
Energy: 1.2570349253974082
Energy: 1.2010424396653843
Energy: 1.1809569446510622
Energy: 1.2475659022524288
Energy: 1.2199880506180656
Energy: 1.1790582511954744
Energy: 1.2127360915273473
Energy: 1.199323929181763
Energy: 1.1547638662481792
Energy: 1.1570147952973981
Energy: 1.1927521634534775
Energy: 1.2040928866530751
Energy: 1.1562589080167487
Energy: 1.2162929911188745
Energy: 1.2043680312802225
Energy: 1.2141730072095036
Energy: 1.1011130652341958
Energy: 1.2177129147856307
Energy: 1.1997110887716442
Energy: 1.100717030814392
Energy: 1.226595036471342
Energy: 1.1130184069388485
Energy: 1.1282953090691836
Energy: 1.17733779493179
Energy: 1.1412032149120706
Energy: 1.1386138526257497
Energy: 1.1001809736577155
Energy: 1.1776112044824008
Energy: 1.1123390707680123
Energy: 1.1607154998976392
Energy: 1.163028774460283
Energy: 1.1267855811626635
Energy: 1.1606870039520185
Energy: 1.1268651669391616
Energy: 1.1652000703231593
Energy: 1.1071620107364397
Energy: 1.1217270132359491
Energy: 1.086680062055416
Energy: 1.1641114503272396
Energy: 1.1210985755246796
Energy: 1.1614452635540227
Energy: 1.1219092370462924
Energy: 1.101664524539399
Energy: 1.1214829094394114
Energy: 1.1651984901238064
Energy: 1.1136842460499863
Energy: 1.1208800434475368
Energy: 1.1732852781429186
Energy: 1.131456116873652
Energy: 1.0707149257202107
Energy: 1.0836104756895992
Energy: 1.1472414032251248
Energy: 1.093376383611614
Energy: 1.073191854342635
Energy: 1.166423329217432
Energy: 1.0930827249053843
Energy: 1.0780707842109751
Energy: 1.0714783360677758
Energy: 1.1499552309281145
Energy: 1.1104793407539937
Energy: 1.0681282090862514
Energy: 1.1482702814773396
Energy: 1.0997056225818798
Energy: 1.1098395674517658
Energy: 1.1072008711623664
Energy: 1.1433516750790227
Energy: 1.1283931517727759
Energy: 1.108116999578039
Energy: 1.1437746804650202
Energy: 1.1173458584648488
Energy: 1.1210313061891046
Energy: 1.151396212878849
Energy: 1.136318953037939
Energy: 1.1257299217621415
Energy: 1.1433181634631129
Energy: 1.1285964443938463
Energy: 1.1277528780145634
Energy: 1.1023857758400137
Energy: 1.1469382112397692
Energy: 1.0605585399875535
Energy: 1.0943997466100077
Energy: 1.1506278789189237
Energy: 1.0639904172153287
Energy: 1.0919740796725401
Energy: 1.1222972604126513
Energy: 1.1653653222896472
Energy: 1.0614693808550424
Energy: 1.1036639156072556
Energy: 1.1448276938551605
Energy: 1.061025411798585
Energy: 1.0891911376857537
Energy: 1.1224754114732167
Energy: 1.1581619057346335
Energy: 1.1010338655451863
Energy: 1.0981485361122107
Energy: 1.1462883940554642
Energy: 1.1216292651989193
Energy: 1.1097335208279542
Energy: 1.1705045298501209
Energy: 1.1532209736589192
Energy: 1.1212079700677666
Energy: 1.135961940812861
Energy: 1.1445589045637052
Energy: 1.121349745883568
Energy: 1.135404356157761
Energy: 1.1543286977262897
Energy: 1.1409562867622136
Energy: 1.1009766208358267
Energy: 1.145962066100209
Energy: 1.180670735184478
Energy: 1.122062376107961
Energy: 1.159624232115233
Energy: 1.1765351037395781
Energy: 1.1589818775467569
Energy: 1.1380236144932816
Energy: 1.1589334817591161
Energy: 1.155535597249844
Energy: 1.1388134998595008
Energy: 1.1411806280503798
Energy: 1.1803143717858826
Energy: 1.1013905703230904
Energy: 1.197688754340213
Energy: 1.1635412075061906
Energy: 1.1011575548624815
Energy: 1.1239350193564086
Energy: 1.2013600860909248
Energy: 1.1785979646886884
Energy: 1.1551336006682817
Energy: 1.2183574713223067
Energy: 1.2263959160429128
Energy: 1.154628087608766
Energy: 1.159097546822259
Energy: 1.218252026250411
Energy: 1.1762049335399622
Energy: 1.1849561002364282
Energy: 1.197892597945596
Energy: 1.2311523611098267
Energy: 1.204292308885888
Energy: 1.158119195672653
Energy: 1.2317842552334786
Energy: 1.253931029023255
Energy: 1.1583764674736303
Energy: 1.246437462758359
Energy: 1.2289875414546638
Energy: 1.1621630580302487
Energy: 1.1741909271300512
Energy: 1.2449238174461157
Energy: 1.2433175852347744
Energy: 1.2039606970877847
Energy: 1.2498019711540236
Energy: 1.228742286529603
Energy: 1.1996608712782695
Energy: 1.1011435517763868
Energy: 1.2452429502332505
Energy: 1.2372638272790561
Energy: 1.1792763332845513
Energy: 1.1991471544365744
Energy: 1.2299357528961705
Energy: 1.2015065662483821
Energy: 1.1810279634957799
Energy: 1.2319631109886147
Energy: 1.257800252679913
Energy: 1.2016869277676148
Energy: 1.2233978300848327
Energy: 1.223451888762756
Energy: 1.2462707599746758
Energy: 1.1822912097256295
Energy: 1.2126951375407666

minimum gb energy = 1.0605585399875535 eV
minimum distance =  2.24532692034981 Angstroms
sigma value = 113


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

Energy: 1.6532235805726563
Energy: 1.2157987531921197
Energy: 1.0577098182399758
Energy: 1.1734407381203882
Energy: 1.1739128697826715
Energy: 1.1010559318176467
Energy: 1.215206168423411
Energy: 1.1429546447362864
Energy: 1.0427090996187631
Energy: 1.0637142028478657
Energy: 1.0601467822824964
Energy: 1.0474741487048427
Energy: 1.0557748531751243
Energy: 1.040832421826015
Energy: 1.0889534299285446
Energy: 1.0151549752266593
Energy: 1.0613530751498699
Energy: 1.061482679058442
Energy: 1.0280909229924806
Energy: 1.051294555591827
Energy: 1.0637162925633379
Energy: 0.9972169310041199
Energy: 1.0135450058744444
Energy: 1.0091741925147155
Energy: 0.9927020981698866
Energy: 0.9838675796271906
Energy: 1.0095329359203784
Energy: 1.084446261697889
Energy: 0.9492200278211422
Energy: 1.0003835472476257
Energy: 1.0501126668685827
Energy: 1.0211808655438939
Energy: 0.9936485687205298
Energy: 1.0082573753008626
Energy: 1.0283009221215935
Energy: 1.0084322635742866
Energy: 0.9970127777631952
Energy: 1.0300291477890466
Energy: 1.0193590519824132
Energy: 0.9923695271355581
Energy: 1.020400651596055
Energy: 1.0321396205616278
Energy: 1.0134991280081032
Energy: 1.1101210741841525
Energy: 0.9925108891315475
Energy: 1.000884006892158
Energy: 0.9930313259625563
Energy: 1.0252394805203568
Energy: 1.0040883579593585
Energy: 1.0117834341264786
Energy: 1.131204642635794
Energy: 1.009459257526954
Energy: 0.9884400182355771
Energy: 1.0145477007781027
Energy: 1.0134937224346678
Energy: 0.9954582399383559
Energy: 0.9975860891472667
Energy: 0.9871480231139029
Energy: 0.9961643430765298
Energy: 0.9741708225401982
Energy: 0.9830430786224337
Energy: 0.9939960054781228
Energy: 0.9751788925211179
Energy: 0.952596390628165
Energy: 0.9747239904618421
Energy: 0.9648511456111653
Energy: 0.9681753408128884
Energy: 0.9754518374055382
Energy: 1.0038337454686632
Energy: 0.9726162690489878
Energy: 0.9785059327432979
Energy: 1.0096618263031814
Energy: 1.0131267277629248
Energy: 0.9751651093471643
Energy: 0.9751348189830542
Energy: 1.0179211251206828
Energy: 0.9554571272464989
Energy: 0.9852680997655066
Energy: 0.9738039442355928
Energy: 0.9606506868721961
Energy: 0.9587736262763328
Energy: 0.9721049253563924
Energy: 0.9603961594296767
Energy: 0.9588150496331618
Energy: 0.9699452143444066
Energy: 0.9897966581555517
Energy: 0.9299986668270563
Energy: 0.9517392603663095
Energy: 1.0015529434222745
Energy: 0.9328217228783366
Energy: 0.9514416144916992
Energy: 0.9704417950291531
Energy: 0.9473550846980717
Energy: 0.9299115288294861
Energy: 0.9490139704145542
Energy: 0.9973384310691145
Energy: 0.9199687478153155
Energy: 0.952441660789864
Energy: 0.9895570718454648
Energy: 0.9455837626618484
Energy: 0.9388274916518442
Energy: 0.9504795673482629
Energy: 0.9479783149556033
Energy: 0.9391047526119083
Energy: 0.9542980733289244
Energy: 0.9291132946690716
Energy: 0.927342412237857
Energy: 0.9408971115463438
Energy: 0.952925991632589
Energy: 0.9348413645838548
Energy: 0.9417704955269178
Energy: 0.9546288428952543
Energy: 0.9275668645848649
Energy: 0.9328421121251089
Energy: 0.9454364562211793
Energy: 0.949284519849472
Energy: 0.9342405753894507
Energy: 0.9472020250559492
Energy: 0.9455892946284857
Energy: 0.9611180588493804
Energy: 0.9402914189779474
Energy: 0.9640998713694324
Energy: 0.9535308920767286
Energy: 0.937670062974105
Energy: 0.9563602062205532
Energy: 0.9625571184498817
Energy: 0.9952925699434941
Energy: 0.9370507285209047
Energy: 0.9571294800335525
Energy: 0.945938140722684
Energy: 0.9363790438275748
Energy: 0.956264696186677
Energy: 0.9519662470561495
Energy: 0.914004721965913
Energy: 0.9105764856966522
Energy: 0.9645315728207199
Energy: 0.9278214544274029
Energy: 0.9057022229379961
Energy: 0.9628487338260637
Energy: 0.9265126172907967
Energy: 0.9435980056029637
Energy: 0.9481966170626054
Energy: 0.9547604765172952
Energy: 0.936461207149385
Energy: 0.9540447066602726
Energy: 0.9543290812786975
Energy: 0.9393750500467745
Energy: 0.9509465207512341
Energy: 0.9577349820655704
Energy: 0.9569064052631784
Energy: 0.9379664215655192
Energy: 0.9547489782400626
Energy: 0.9556033282979465
Energy: 0.9391713340125158
Energy: 0.9440591430472086
Energy: 0.9668866390683428
Energy: 0.9019578801174574
Energy: 0.9300785691438739
Energy: 0.9608128710977234
Energy: 0.905523668176541
Energy: 0.9257061092512723
Energy: 0.9667141753389036
Energy: 0.9940759920329405
Energy: 0.936222874370343
Energy: 0.9467146849094639
Energy: 0.954668327331218
Energy: 0.9350571882601917
Energy: 0.97355046090192
Energy: 0.9769357772358741
Energy: 0.9618826371657212
Energy: 0.9401911624900048
Energy: 0.9584081197461038
Energy: 0.9695129058482328
Energy: 0.9389335720999324
Energy: 0.9477065959964621
Energy: 0.9554961092790742
Energy: 0.9354835954107068
Energy: 0.9376719070555988
Energy: 0.9468888521547719
Energy: 0.9424767791151002
Energy: 0.9356849897513476
Energy: 0.9441448853656415
Energy: 0.947909079151729
Energy: 0.9344637361076299
Energy: 0.924955487327711
Energy: 0.9530693010442367
Energy: 0.943400877285093
Energy: 0.9217814878582369
Energy: 0.9428553714339198
Energy: 0.9660417839032045
Energy: 0.9428852547244908
Energy: 0.9364357603909647
Energy: 0.972599244775726
Energy: 0.9369416757173
Energy: 0.9488474009460804
Energy: 0.9708951117429268
Energy: 0.9424107373034697
Energy: 0.9337773306346177
Energy: 0.9992622783665617
Energy: 0.9507046302845358
Energy: 0.9299543955680972
Energy: 0.9987449896035303
Energy: 0.9490429178185905
Energy: 0.9422530470620328
Energy: 0.9367534537776757
Energy: 0.9928978681335042
Energy: 0.9506067190231431
Energy: 0.9312621439830348
Energy: 0.9895536832573227
Energy: 0.9555872625083204
Energy: 0.975405458352193
Energy: 0.9545941623965939
Energy: 0.975376751728555
Energy: 0.9579901853797471
Energy: 0.9604592301174504
Energy: 0.9721065477189454
Energy: 0.9567019501832702
Energy: 0.9840628452063105
Energy: 1.0066886303980926
Energy: 0.9753688401111216
Energy: 0.9533996912578451
Energy: 1.0116745748289782
Energy: 0.9920526405541286
Energy: 0.989151674790986
Energy: 0.9708425694374365
Energy: 1.0077494134099267
Energy: 0.990155816267988
Energy: 0.9671824066892254
Energy: 1.007032909295111
Energy: 0.9741771413568222
Energy: 0.9890946585375121
Energy: 0.9983986792651136
Energy: 0.9973956741054543
Energy: 0.9907057760928384
Energy: 0.9742182455405792
Energy: 0.9947018503053854
Energy: 1.0061807853237121
Energy: 0.9758063630678774
Energy: 1.010383856724055
Energy: 1.0281997817533053
Energy: 1.0154262404270538
Energy: 0.9969592242856958
Energy: 0.9903856756289408
Energy: 1.0156231637474424
Energy: 0.9786744995571236
Energy: 1.008856667615963
Energy: 1.0112230603964152
Energy: 0.9931766467042427
Energy: 0.9601219679590016
Energy: 1.0570295309405193
Energy: 0.9930287895940982
Energy: 1.00718598650236
Energy: 1.0473022689367755
Energy: 1.0128009714601027
Energy: 0.9932411350539897
Energy: 1.0174756876431925
Energy: 1.0212794677050399
Energy: 1.0018530370139782
Energy: 1.0193888874172639
Energy: 1.0923292707213863
Energy: 1.0099765816152624
Energy: 1.0210685300681392
Energy: 1.0349930395263747
Energy: 1.009302587751051
Energy: 1.0022511106637162
Energy: 1.046411503622475
Energy: 1.0904964568890925
Energy: 1.1268287066707883
Energy: 1.141822876531032
Energy: 1.0272024778079218
Energy: 1.0097499875836358
Energy: 1.0033857555653634
Energy: 0.9701526654383725
Energy: 1.0897524472651745
Energy: 1.0508488173536101
Energy: 1.03111927610615
Energy: 1.0869477471042093
Energy: 1.0617392285627918
Energy: 1.0152057645453003
Energy: 1.0494107838821647
Energy: 1.0493244086726805
Energy: 1.048120065631733
Energy: 1.0896950563403784
Energy: 1.0468937028604115
Energy: 1.039278494315306
Energy: 1.0316230881326967
Energy: 1.1189308602737764
Energy: 0.9854719670477602
Energy: 1.0905618071134602
Energy: 1.0647121330737357
Energy: 0.9864598306733738
Energy: 0.9849606661499497
Energy: 1.0412785341190005
Energy: 1.0984203827445236
Energy: 1.0918990721865292
Energy: 1.0521821000011866
Energy: 1.064193873254678
Energy: 1.045973822195931
Energy: 1.05706691130216
Energy: 1.0505764448369304
Energy: 1.0997908432702133
Energy: 1.1063299212958133
Energy: 1.049991974676149
Energy: 1.0585403778785492
Energy: 1.098192612516262
Energy: 1.04999827188284
Energy: 1.0541626245465474
Energy: 1.0608448033202489
Energy: 1.1445827171058078
Energy: 0.9864726822340211
Energy: 0.9838181122935556
Energy: 1.0653351838807592
Energy: 1.06630926590732
Energy: 1.0102408280981736
Energy: 0.9856273734997878

minimum gb energy = 0.9019578801174574 eV
minimum distance =  2.23879419782121 Angstroms
sigma value = 365


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

Energy: 1.2031691888190414
Energy: 1.158577599725509
Energy: 1.2189473627455918
Energy: 1.207056399576993
Energy: 1.2063816087296317
Energy: 1.2079625547252908
Energy: 1.221230562860091
Energy: 1.146042527882415
Energy: 0.3701245334046567
Energy: 0.36942676001630437
Energy: 0.36917682738647567
Energy: 0.3693946824983077
Energy: 0.36957244029433906
Energy: 0.36958836103639725
Energy: 0.3848450595614736
Energy: 0.3699768555729448
Energy: 0.3696488849947616
Energy: 0.3695047552603917
Energy: 0.3695485291314378
Energy: 0.36936121810670275
Energy: 0.36967523327315616
Energy: 1.1455409955345959
Energy: 1.1768419365160927
Energy: 1.1583370321397852
Energy: 1.1449132547782317
Energy: 1.144990745435976
Energy: 1.1543581494024207
Energy: 1.1869376104662088
Energy: 1.1850817459831091
Energy: 1.175646295758779
Energy: 1.175931257071483
Energy: 1.1754151171087706
Energy: 1.219410824314568
Energy: 1.175886429783334
Energy: 1.17547135794848
Energy: 0.38509477009610144
Energy: 0.36973719530558913
Energy: 0.3696221892643894
Energy: 0.3693473350970272
Energy: 0.36932934562901426
Energy: 0.3695718075800816
Energy: 0.36956814797893933
Energy: 1.1462780013896037
Energy: 1.1760231048991294
Energy: 1.1570426705681363
Energy: 1.153760394798645
Energy: 1.155278629208936
Energy: 1.1933510284106466
Energy: 1.1758075285166898
Energy: 1.1454136646666029
Energy: 1.176251638509929
Energy: 1.1917532098901342
Energy: 1.15324663583881
Energy: 1.1460570880240926
Energy: 1.1565025280830776
Energy: 1.175978759291151
Energy: 0.38515285952706674
Energy: 0.3696265467015512
Energy: 0.3694146380864055
Energy: 0.3692811997602482
Energy: 0.369443047171259
Energy: 0.3695620408646922
Energy: 0.36971102603940337
Energy: 1.184893579164689
Energy: 1.1756678628597574
Energy: 1.175922869251175
Energy: 1.1760245003592416
Energy: 1.1762482345600882
Energy: 1.175565844668716
Energy: 1.1754613500287878
Energy: 1.1758817282361316
Energy: 1.143651090150561
Energy: 1.159087576097747
Energy: 1.1456446939798095
Energy: 1.1457385562248728
Energy: 1.1449179523211233
Energy: 1.1603174578478928
Energy: 0.38494219910837135
Energy: 0.3701144565476223
Energy: 0.3696053142394352
Energy: 0.3696118467069935
Energy: 0.36944255060051495
Energy: 0.3697019764277974
Energy: 0.3699239595990338
Energy: 0.3847556727270552
Energy: 0.37029775552598687
Energy: 0.36946570839953513
Energy: 0.3695622236947983
Energy: 0.3694516016515074
Energy: 0.3692675382644161
Energy: 0.3698708483308311
Energy: 1.1765012243732715
Energy: 1.176895739941547
Energy: 1.1581624094990843
Energy: 1.146342284554275
Energy: 1.1465826267908803
Energy: 1.1472780936674263
Energy: 1.1587620454721503
Energy: 1.1458018892634072
Energy: 1.1764892365464739
Energy: 1.1753633410042381
Energy: 0.36910275600800735
Energy: 0.36892477412741587
Energy: 0.36971710942997044
Energy: 1.1760153429701845
Energy: 0.3848541706981657
Energy: 0.3701492400879451
Energy: 0.3698343458754
Energy: 0.3693044966266838
Energy: 0.36927049093239894
Energy: 0.3694683752946019
Energy: 0.36983289278685094
Energy: 1.1457029050820924
Energy: 1.1764478809875059
Energy: 1.1584655563561181
Energy: 1.1451475460792142
Energy: 1.1452358508143274
Energy: 1.1539822582675177
Energy: 1.1860067115095188
Energy: 1.1854843944556979
Energy: 1.1759093828883067
Energy: 1.1758955995443272
Energy: 1.1581257042255368
Energy: 1.2187971080118307
Energy: 1.1756848236777107
Energy: 1.1755311867145273
Energy: 0.38542306317512265
Energy: 0.36941385075760436
Energy: 0.36921258740251883
Energy: 0.36919246257565425
Energy: 0.3689157090751585
Energy: 0.36912868022655876
Energy: 0.3690457401824971
Energy: 1.1448243126914808
Energy: 1.175293681068021
Energy: 1.1758720997763898
Energy: 1.1459240155908748
Energy: 1.1460573031226762
Energy: 1.1941351869130483
Energy: 1.1757114726647497

minimum gb energy = 0.3689157090751585 eV
minimum distance =  2.2979444818828 Angstroms
sigma value = 23