Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860341995954514
cohesive_energy=4.301279955559085
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.2179033206569395e-19, -7.991384680364219e-19, -5.04464539334508e-19, 1.312636079233422e-19, 4.3652904569964e-19, 5.05057344689088e-19, 5.12401722379344e-19, 5.211496068009839e-19, 5.34796947369396e-19, 5.49897462144846e-19, 5.66563303491714e-19, 5.84767234407222e-19, 6.03278783236458e-19, 6.206816258349659e-19, 6.36094565054046e-19, 6.492131873332379e-19, 6.60082353618294e-19, 6.6887349680905195e-19, 6.757997063978339e-19, 6.81048437050818e-19, 6.84776702078136e-19, 6.872296345047899e-19, 6.88625130353004e-19, 6.89086557223596e-19, 6.88570656347448e-19, 6.868611338789699e-19, 6.836487697278001e-19, 6.785089870859279e-19, 6.708906371912579e-19, 6.60197710335942e-19, 6.459239187036359e-19, 6.27744020437638e-19, 6.05569895823078e-19, 5.796130321756439e-19, 5.49964753563474e-19, 5.163751204316639e-19, 4.79404894602114e-19, 4.43174874377472e-19, 4.24895641160166e-19, 4.68441199895652e-19, 6.58172559070566e-19, 1.10844187158339e-18, 1.9384574877102598e-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: 0.013249361468203004
Energy: 0.2821485656865376
Energy: 0.2815892322498861
Energy: 0.28169734759248183
Energy: 0.2816507711208179
Energy: 0.013571857718284274
Energy: 0.28214856567868996
Energy: -3.4792905478276697
Energy: 0.2816088562666263
Energy: 0.28136526590216776
Energy: 0.281587160637956
Energy: 0.28178143605311895
Energy: 0.28158923224841115
Energy: 0.2816088562656523
Energy: -3.4671262312498414
Energy: 0.013540758668366858
Energy: 0.2817241929635815
Energy: 0.281609203076523
Energy: 0.28169734759248183
Energy: 0.28136526590314176
Energy: 0.013540758668366858
Energy: 0.013564807833124854
Energy: 0.28165607803550413
Energy: 0.28158839277864817
Energy: 0.2816507711208179
Energy: 0.281587160638457
Energy: 0.2817241929640824
Energy: 0.281656078036506
Energy: -3.5064337570880286
Energy: 0.28144014378733756
Energy: 0.013571857718284274
Energy: 0.28178143605311895
Energy: 0.281609203076523
Energy: 0.2815883927791491
Energy: 0.28144014378733756
Energy: 0.013660722464169528

minimum gb energy = -3.5064337570880286 eV
minimum distance =  2.47580090683996 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: -1.267661601951187
Energy: -2.988594966964029
Energy: -3.0390355270021443
Energy: -3.45388176874615
Energy: -2.976286579528998
Energy: -4.4109222732125914
Energy: -0.4914007551865332
Energy: -3.9338544015923795
Energy: -4.055056015327258
Energy: -4.01637666313694
Energy: -4.127919582257487
Energy: -4.156594575101608
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Energy: -3.9438471885670805
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Energy: 0.6832135813096448
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Energy: 0.6899999740864454
Energy: -4.217172369853796
Energy: -4.359472474221772
Energy: -4.047462612683969
Energy: -4.20215609729789
Energy: -3.7304114804662607
Energy: 0.6949565511272854
Energy: -4.334092625077582
Energy: -3.8643012964592103
Energy: -2.074256314257171
Energy: -3.765226775054604
Energy: -4.3304670667277225
Energy: -4.645389467299465
Energy: -3.968937575810951
Energy: -4.087548879659775
Energy: -4.124884920391804
Energy: -3.665351070151901
Energy: -3.9432599730476756
Energy: -4.3274809803222105
Energy: -4.276423432886179
Energy: -4.473124367536436
Energy: -1.8075578639479277
Energy: -4.231371117088643
Energy: -4.356702193778178
Energy: -0.4655322969328031
Energy: -3.8797915250557375
Energy: -4.185416145155609
Energy: -1.5042006193017876
Energy: -3.700720621549153
Energy: -4.12046581476649
Energy: -0.7641370364322333
Energy: -3.8681866861548877
Energy: -4.012616163092448
Energy: -3.5238499645922783
Energy: -4.19670669303294
Energy: -4.170722926323019

minimum gb energy = -5.400409714475271 eV
minimum distance =  2.35005994414026 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

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Energy: -1.318969779188385
Energy: -1.315491506550104
Energy: -0.933433555664354
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Energy: -1.3316377592848359
Energy: -0.8065153100312822
Energy: -1.263680149065015
Energy: -3.599579069635377

minimum gb energy = -4.045279808548887 eV
minimum distance =  2.38476489502498 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

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Energy: -2.1960443805083023
Energy: -2.2846351081905265
Energy: -2.7263221150777426
Energy: -2.19694212369243
Energy: -2.011876696284322

minimum gb energy = -3.1070446341044136 eV
minimum distance =  2.33207100124042 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.4264557236330255
Energy: -1.565332097201802
Energy: -1.7753954537575285
Energy: -0.9388390140115376
Energy: -1.8415896161595253
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Energy: -1.792479850464169
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Energy: -2.088055990135757
Energy: -2.0686652297630963
Energy: -2.4255088810253547
Energy: -1.7859784252942241
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Energy: -1.1500300936100945
Energy: -2.058415945813408
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Energy: -0.19768898888719819
Energy: -2.637756777188611
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Energy: -1.9261646688256862
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Energy: -0.3658748032381598
Energy: -2.1857495157077684
Energy: -2.2042800090805756
Energy: -1.324923278965797
Energy: -2.1432977644477686
Energy: -2.1232105315807854
Energy: 0.3455639091315317
Energy: -2.241480701270825
Energy: -2.1955073163376357
Energy: -1.4846502038609752
Energy: -2.1588229982914915
Energy: -2.0207136649868187
Energy: 0.12282691565473652
Energy: -2.114571462237857
Energy: -2.638772865447031
Energy: -1.1491467505935617
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Energy: -1.8072724587115787
Energy: -1.8720421254033908
Energy: -0.6855398043775065
Energy: -1.7731483062938467
Energy: -1.7677139236313795

minimum gb energy = -3.441288125574596 eV
minimum distance =  2.34405573101835 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.3444794182972835
Energy: -2.3580405141976435
Energy: -2.3112393715602817
Energy: -2.020610962229748
Energy: -2.3521742041919937
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Energy: -2.836158251608271
Energy: -3.5760982694318977
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Energy: 0.7954939676081039
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Energy: -3.5061640625949737
Energy: -2.8206757902579818
Energy: -3.528744878347018
Energy: -2.2844073149569
Energy: -2.8351871616133497
Energy: -2.223908808839972
Energy: -2.2680768990462914
Energy: -3.189656986115208
Energy: -2.3075728270814095
Energy: -2.332121735508082
Energy: 0.793594764913615
Energy: -3.584604636218671
Energy: -3.500857216236957
Energy: -2.7602115858088303
Energy: -3.5378811197740214
Energy: -3.1241920400115033
Energy: 0.7972863819551718
Energy: -3.63246074760619
Energy: -3.5403108436224833
Energy: -2.7614342840528643
Energy: -3.5512402431592727
Energy: -3.09395759175795
Energy: 0.7943814222563421
Energy: -2.225288456824218
Energy: -4.204591509642198
Energy: -4.190777245363046
Energy: -2.3249129307920446
Energy: -2.4250970814110726
Energy: 0.7895399140868029
Energy: -3.516444254504484
Energy: -3.4934772559742733
Energy: -2.7451942997503136
Energy: -3.492341093575954
Energy: -2.7862372526699377
Energy: 0.7935870397224921
Energy: -3.48439201601824
Energy: -2.331692616525443
Energy: -3.125348597791947
Energy: -2.4461762132584743
Energy: -3.523322220053554
Energy: -2.633827540691354
Energy: -2.3489030396644446
Energy: -2.352521223307597
Energy: -3.203933392267923
Energy: -2.274586636364336
Energy: -3.4643303840045485
Energy: 0.7912493300172344
Energy: -3.581491073193813
Energy: -3.14364233082051
Energy: -2.7344202693493926
Energy: -3.528456835181648
Energy: -3.5252023282432976
Energy: 0.7921678979984288
Energy: -3.529259585134882
Energy: -3.158778999118745
Energy: -2.847873786528709
Energy: -3.566986666837938
Energy: -3.1144553293571295

minimum gb energy = -4.204591509642198 eV
minimum distance =  2.38797718504753 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: -1.337128453050989
Energy: -3.054611961554203
Energy: -2.623860165809673
Energy: -2.052277460329609
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Energy: -3.315725043403667
Energy: -1.3555009152567092
Energy: -3.3853578235256894
Energy: -2.6310671543137953

minimum gb energy = -3.8374220658110034 eV
minimum distance =  2.36094985709518 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

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Energy: -1.8608544259733646
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Energy: -1.8016650090776805
Energy: 0.06881823052941176
Energy: -1.757708350422282
Energy: -1.0792315767560776
Energy: -1.6190140600285081
Energy: -1.0897727783362317
Energy: -2.379291368693918
Energy: -3.1879908858956294
Energy: -1.1443204922212142
Energy: -1.094644137759147
Energy: -1.5722958725932048
Energy: -1.0921957095713286
Energy: -1.0867751372836
Energy: 0.07293978438183459
Energy: -1.0971350684317405
Energy: -1.1793288753206086
Energy: -1.3233120412910386
Energy: -1.132144736069608
Energy: -1.5712146742212023
Energy: 0.07117017833298098
Energy: -1.065238312097717
Energy: -2.167930037694275
Energy: -1.7669946173580688
Energy: -1.1118582747146573
Energy: -1.035695243801922
Energy: 0.31340665117378935
Energy: -1.850767600716882
Energy: -1.82334636446287
Energy: -0.9243351405252223
Energy: -1.799030412913093
Energy: -2.1450577109592635
Energy: 0.2897077596196812
Energy: -1.8324091876546533
Energy: -1.9084320312109186
Energy: -1.6342846364508112
Energy: -1.8241109035824927
Energy: -1.5954239057191733
Energy: 0.07200753595295944
Energy: -1.6101258150400943
Energy: -2.4860039208084883
Energy: -1.5667282491224148
Energy: -2.3595914177097264
Energy: -1.1040286913549855
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Energy: -1.6249885438907086
Energy: -1.6656905705222258
Energy: -1.6676514348829936
Energy: -1.6461410238329426
Energy: -1.1492708323193879

minimum gb energy = -3.3893918088861734 eV
minimum distance =  2.35748597668902 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: -1.3588843825698382
Energy: -3.0126268248305874
Energy: -2.9768917781952644
Energy: -1.2714007942292604
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Energy: -4.237414057532785
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Energy: -4.191172224359834
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Energy: -3.2817679154606214
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Energy: -4.154214516197503
Energy: -1.170750606977027
Energy: -3.6513695207669516
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Energy: -2.911117234535304
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Energy: -3.3806072591034804
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Energy: -1.1312122200276054
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Energy: -1.1701787450731282
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Energy: -3.6823402374473946
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Energy: -3.5056379479291766
Energy: -3.98085262457533
Energy: -1.1257587997834837
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Energy: -4.389321238362459
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Energy: -4.141208472344003
Energy: -3.791567379979845
Energy: -1.1467290372550558
Energy: -3.0911596851720007
Energy: -3.422227629019286
Energy: -1.2342080315397046
Energy: -2.894991789125126
Energy: -3.3950053518736274
Energy: -0.9705737325816991
Energy: -3.1538979543611263
Energy: -3.0301930005169067
Energy: -3.1794591285005276
Energy: -2.9567215436401173
Energy: -4.150320174729597
Energy: -1.1725523913539748
Energy: -4.253939464525007
Energy: -3.989488709713383
Energy: -3.5608297599148813
Energy: -4.192490958890986
Energy: -3.987015688205788
Energy: -0.7158654285839242
Energy: -4.192011269355312
Energy: -3.06469286681114
Energy: -4.0012812306027055
Energy: -3.1965712306964
Energy: -3.9124423889974644

minimum gb energy = -4.8937936478597335 eV
minimum distance =  2.34317813299533 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: -1.5429873935179284
Energy: -0.9192888388232344
Energy: -1.051562724326093
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Energy: -1.3219707080476113
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Energy: -0.9893150366637641
Energy: -1.0742168919101642
Energy: -1.21811538499308
Energy: -1.3071239125072305

minimum gb energy = -2.775328113678314 eV
minimum distance =  2.33697960102723 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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minimum gb energy = -3.163360978066925 eV
minimum distance =  2.34770020507978 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: -2.9590760227742776
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Energy: -3.80697240429255

minimum gb energy = -4.164190673576353 eV
minimum distance =  2.36157225463508 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -5.702388111467644 eV
minimum distance =  2.31366232105304 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -1.3996395565685111
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Energy: -1.4974329108371065
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Energy: -1.7093726005687944
Energy: -1.5230743919093126
Energy: -1.6745489846610073
Energy: -1.375201393599849
Energy: -1.3619113106463778
Energy: -1.5471637286705557
Energy: -1.8422855571682986
Energy: -1.5038502796032693
Energy: -1.5600665389761204
Energy: -1.541604663242508
Energy: -1.5588219036393725
Energy: -1.4426689808449344
Energy: -2.337791539154119
Energy: -1.5343231604401975
Energy: -1.630675147888927
Energy: -1.499876394037711
Energy: -1.3892771755123523
Energy: -1.6697098480109767
Energy: -2.6080756367399682
Energy: -1.3619555017764622
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Energy: -1.2496393737420803
Energy: -1.5099351983057243
Energy: -1.449467492743009
Energy: -1.0323345126832204
Energy: -1.3591969451600017
Energy: -1.569161028012398
Energy: -1.1552069709768518
Energy: -1.620194518260805
Energy: -1.4492795416826199
Energy: -0.9660174305527255
Energy: -1.3671045865211615
Energy: -1.3923865562121
Energy: -1.4389946358172787
Energy: -1.4098285856705308
Energy: -1.6600829069599912
Energy: -1.8995218701665868
Energy: -1.5116493081019498
Energy: -1.213209585542889
Energy: -2.8371393232414532
Energy: -1.3554667194823546
Energy: -1.6639681741590833
Energy: -1.7749893511784698
Energy: -1.5970417856582186
Energy: -1.600205553661057
Energy: -1.5918406582564146
Energy: -1.2808714623225972
Energy: -1.654557249212501
Energy: -2.301122705379706
Energy: -1.447442710167222
Energy: -1.4709778450938211
Energy: -1.966192627412131
Energy: -1.5151867937710124
Energy: -1.6266530977019666
Energy: -1.4758056971275155
Energy: -1.4944787657402656
Energy: -1.2481596728196656
Energy: -1.442147167490624
Energy: -1.6011608680859541
Energy: -1.624775680673361
Energy: -1.4417564538329275
Energy: -1.6251352854231111
Energy: -1.25339751940657
Energy: -1.3851302821721139
Energy: -1.665768243231923
Energy: -1.6633974614889713
Energy: -1.3458747837499272
Energy: -1.2464853802668752
Energy: -1.026844799150609
Energy: -1.615688542272704
Energy: -1.73313168592954
Energy: -1.5744383880598618
Energy: -1.667596846844961
Energy: -1.2754828339680422

minimum gb energy = -2.8371393232414532 eV
minimum distance =  2.33490163092864 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -0.19135335818797747
Energy: -1.3841071470502908
Energy: -0.6617224243935592
Energy: -0.671024244840238
Energy: -1.3493998733279584
Energy: -0.2752444737564017
Energy: -0.6755838198119095
Energy: -1.2840291874227818
Energy: -0.7472741411832712
Energy: -0.7915349187031558
Energy: -0.7620158368943805
Energy: -1.9266091010918251
Energy: -0.668564781118435
Energy: -1.4053829393775064
Energy: -0.7883976206646086
Energy: -0.7692208446764988
Energy: -0.794230465608241
Energy: -1.870538374030305
Energy: -0.5423698791844835
Energy: -1.4296202954200603
Energy: -0.6190778084115359
Energy: -0.7764743449908185
Energy: -1.267438054032519
Energy: -0.4007336344166222
Energy: -0.5463241587593589
Energy: -1.4211646548681232
Energy: -1.4718716088943233
Energy: -0.9448169577923139
Energy: -1.451524817348737
Energy: -0.891738194112049
Energy: -0.6734743471572581
Energy: -1.539468958525144
Energy: -1.4425446301246243
Energy: -0.9413654281233578
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Energy: -2.133683804594062
Energy: -0.6128820668659788
Energy: -2.2439739866887436
Energy: -1.360528975317689
Energy: -0.9448852371549352
Energy: -1.449253283156411
Energy: -2.2416344888538844
Energy: -0.8940713983197621
Energy: -2.202735296020521
Energy: -1.3027636274728966
Energy: -0.9330770288681844
Energy: -1.4948696469229403
Energy: -1.9958259962020728
Energy: -0.9209278852021384
Energy: -2.185255386857007
Energy: -1.8063616668269569
Energy: -0.859565755295232
Energy: -2.1925843060130417
Energy: -2.255352823626637
Energy: -0.9386555938635367
Energy: -2.2585170260489726
Energy: -1.6554181425667163
Energy: -0.948511615453864
Energy: -1.7086136535049081
Energy: -1.666846415438127
Energy: -0.9024611659225885
Energy: -1.8317039377885398
Energy: -2.08290810164084
Energy: -0.9250561862426616
Energy: -1.639322663728946
Energy: -1.7510521387989204
Energy: -0.93175496749656
Energy: -1.4470086011017091
Energy: -2.2069546741837804
Energy: -0.82510301029133
Energy: -2.162077692504799
Energy: -1.7589234039362578
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Energy: -1.1192688687511871
Energy: -0.8327748378319664
Energy: -2.186089992621141
Energy: -0.7169765322396395
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Energy: -0.8721190331901426
Energy: -0.947498009173269
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Energy: -1.8137121785937922
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Energy: -1.425634876039012
Energy: -0.8658081825409544
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Energy: -2.3234781830472766
Energy: -0.6053480625527293
Energy: -1.2825649280202855
Energy: -0.6625305456993047
Energy: -0.7670121687660153
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Energy: -1.8562321533347241
Energy: -0.5032094628763635
Energy: -1.4642443412641883
Energy: -0.7445975225004787
Energy: -0.7618552317227155
Energy: -0.7862886339033445
Energy: -1.9139003792775178
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Energy: -0.5470938122829572
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Energy: -0.7998016723457342
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Energy: -1.4147647939450336
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Energy: -0.9400695736585484
Energy: -0.9461495333545197
Energy: -1.4404184569232397
Energy: -1.9131171839772498
Energy: -0.7025592120521341
Energy: -1.4571815418600242
Energy: -0.9007805001597524
Energy: -0.9473865015235228
Energy: -1.5435847876624988
Energy: -2.272565907563729
Energy: -0.6725853852027043
Energy: -1.5604470063683868
Energy: -0.9052374528559468
Energy: -0.928654844303452
Energy: -1.5464603299611945
Energy: -2.0255759290283835
Energy: -0.4972175945307357
Energy: -2.168404431266066
Energy: -0.44125744759119856
Energy: -0.870214841492253
Energy: -1.8315734401715262
Energy: -2.235551504143249
Energy: -0.7227488180390245
Energy: -2.207768673741673
Energy: -0.9716314335435169
Energy: -0.9442911705020536
Energy: -2.2263513199985483
Energy: -2.2931697453513906
Energy: -0.9380199156815565
Energy: -1.6592764073911737
Energy: -1.3671964273817707
Energy: -0.9371077794491215
Energy: -2.276490042145359
Energy: -1.8117097173116485
Energy: -0.9134183083306239
Energy: -2.2005089199174837
Energy: -1.6055306921740142
Energy: -0.8245742421239998
Energy: -2.18891895986743
Energy: -1.8229814720028183
Energy: -0.9403513699178115
Energy: -1.429445893464911
Energy: -1.2424617486142302
Energy: -0.8257081670732903
Energy: -2.261965136836736
Energy: -1.0855717777744134
Energy: -0.9471749353607044
Energy: -1.7344635588423507
Energy: -1.1477317632414359
Energy: -0.861927791101166
Energy: -2.38142553445637
Energy: -1.5256337243234472
Energy: -0.9348589988728937
Energy: -1.5273998977019079
Energy: -1.7582531980439373
Energy: -0.9169396568927038
Energy: -1.916801722104323
Energy: -1.5234271238444856
Energy: -0.9450602891508085
Energy: -1.4585392311524017
Energy: -2.346204656687154
Energy: -0.5370831791882282
Energy: -1.4444314910550937
Energy: -1.158324001379748
Energy: -0.6998047426186057
Energy: -1.554342254371918
Energy: -2.1714008776513314

minimum gb energy = -2.38142553445637 eV
minimum distance =  2.35085457578169 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -2.2702180317122815
Energy: -1.8799694931012303
Energy: -3.3875934564745123
Energy: -3.3881648444137165
Energy: -3.323356409107193
Energy: -3.3401354082340475
Energy: -2.921154612305512
Energy: -3.0673966873554175
Energy: -2.9349538822835153
Energy: -2.9267229621212625
Energy: -2.931459836314359
Energy: -2.964317212313793
Energy: -2.9098792946301595
Energy: -2.389175945370237
Energy: -2.833246806346075
Energy: -2.894836997329013
Energy: -3.2924224840656584
Energy: -2.9737256551717124
Energy: -2.676098565356596
Energy: -1.5579017511725264
Energy: -2.825653271880306
Energy: -2.8398170201060546
Energy: -3.3942306288353783
Energy: -2.1627078166580587
Energy: -2.3313752281459785
Energy: -1.588274266601044
Energy: -3.0627107957550903
Energy: -2.89054823925844
Energy: -3.629154991853653
Energy: -2.5209204945971146
Energy: -2.6332632828728864
Energy: -3.0346362050411
Energy: -3.063835768850476
Energy: -2.9320560777754974
Energy: -3.057178132449348
Energy: -2.692313980307813
Energy: -2.754250047711836
Energy: -2.273569286061893
Energy: -2.548360527391994
Energy: -2.944140633935187
Energy: -1.5164606596396784
Energy: -2.2671745996123844
Energy: -2.6690654205748556
Energy: -2.5924348560312884
Energy: -2.9372061910950746
Energy: -2.96335837567482
Energy: -2.2652961995541148
Energy: -3.3074814415653617
Energy: -2.919298034454514
Energy: -2.0609589122916203
Energy: -2.8100167698102965
Energy: -2.700189919183205
Energy: -2.4722958815681246
Energy: -3.3030997860478215
Energy: -3.0599486712950683
Energy: -3.080660964526235
Energy: -4.481385957144532
Energy: -2.8475427189202938
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Energy: -3.070943260004819
Energy: -2.859876157650756
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Energy: -2.6058113227681474
Energy: -2.8555355223618077
Energy: -2.6337277675607074
Energy: -2.923007128225199
Energy: -3.0851174204277942
Energy: -2.558581480786167
Energy: -3.1968566984343236
Energy: -2.2036386831638555
Energy: -2.6099958419056337
Energy: -3.0593181055137357
Energy: -2.8159662891059223
Energy: -3.0332308653041826
Energy: -3.1560919901380955
Energy: -2.5518726934011244
Energy: -3.1710400043267
Energy: -3.0661412889933883
Energy: -3.082960637716047
Energy: -3.0898584364369817
Energy: -2.627215467343226
Energy: -2.299172381690402
Energy: -2.483445982744682
Energy: -3.083774131722691
Energy: -3.092930083065317
Energy: -3.0607861472451563
Energy: -3.643016236134726
Energy: -2.664535182150139
Energy: -2.923011764848854
Energy: -2.822296726179673
Energy: -2.8490862964737205
Energy: -3.057137544290571
Energy: -2.8751208143777887
Energy: -2.6758750736106935
Energy: -3.017954006330285
Energy: -3.086565242922937
Energy: -2.889814020971248
Energy: -3.08148646483016
Energy: -3.2712426089879822
Energy: -2.8867788082893466
Energy: -3.644249497124738
Energy: -2.901747702280446
Energy: -2.8790627641252504
Energy: -3.3623624724116263
Energy: -2.935357647082885
Energy: -2.9024270855750993
Energy: -2.4255091940008096
Energy: -3.389298513789057
Energy: -2.877626619180154
Energy: -2.962906645618335
Energy: -3.0280888902502396
Energy: -2.411920846072335
Energy: -2.638092579053779
Energy: -3.293828138479332
Energy: -2.829821797884053
Energy: -2.98449908437834
Energy: -3.0258276524232923
Energy: -2.4227945267272895
Energy: -3.0503764302245706
Energy: -3.287360225363201
Energy: -3.395500839081781
Energy: -2.7115923046209813
Energy: -2.806154212025152
Energy: -2.536541078722246
Energy: -2.5449763277983686
Energy: -3.516786034249023
Energy: -2.838316070530315
Energy: -2.5894534219186736
Energy: -3.016798160680689
Energy: -2.9285740379148266
Energy: -2.525512338258304
Energy: -3.1186080930880045
Energy: -2.808192294161783
Energy: -3.0471914437408056
Energy: -2.9697852662006845
Energy: -2.902754278622398
Energy: -2.9714878869548578
Energy: -3.644632808412379
Energy: -2.406168352548428
Energy: -2.656313817957101
Energy: -3.0074524873948385
Energy: -3.331321272162598
Energy: -3.1487021641095887
Energy: -2.7345534855689566

minimum gb energy = -4.481385957144532 eV
minimum distance =  2.28899656435816 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.7953732449476199
Energy: -2.5656731229739376
Energy: -1.5225672965533987
Energy: -2.0402777679500117
Energy: -2.22607072702789
Energy: -2.766588271156806
Energy: 0.21863195465130958
Energy: -2.1655313558194216
Energy: -1.583835078833995
Energy: -1.8202075773161726
Energy: -1.852764639159846
Energy: -2.3852217441047565
Energy: 0.2150804547127276
Energy: -2.215376449110202
Energy: -1.9686979014850163
Energy: -1.8642801285407475
Energy: -1.9409944068620646
Energy: -2.4116738209271475
Energy: -1.60109711570736
Energy: -1.6577292505804995
Energy: -1.4402207674412302
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Energy: -1.6990433076874056
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Energy: -1.6717451639651157
Energy: -1.654480027534972
Energy: -1.8043218310953106
Energy: -1.7439303375953874
Energy: -1.68911524910541
Energy: 0.19427446479795968
Energy: -1.5488284822816634
Energy: -2.2856546464614946
Energy: -1.7477188477037184
Energy: -2.2529479932449674
Energy: -1.6792467325674036
Energy: 0.2175324241500396
Energy: -2.293067857146217
Energy: -1.673953450294744
Energy: -1.8111594210581459
Energy: -1.584728535908988
Energy: -2.290391362091861
Energy: -2.7681575122078206
Energy: -2.230328563706963
Energy: -1.8270932393658856
Energy: -1.871814694306997
Energy: -2.232778092024559
Energy: -2.1987623091836785
Energy: 0.198164484448044
Energy: -1.6960231854995187
Energy: -2.809921366534097
Energy: -1.567947290675748
Energy: -1.7148273386211617
Energy: -1.477957014339217
Energy: 0.04324527585414413
Energy: -1.4153184805029537
Energy: -2.238740506605883
Energy: -1.700687636027255
Energy: -2.2099798855427992
Energy: -1.439728337941903
Energy: 0.24281851586242445
Energy: -1.8863276371697033
Energy: -2.3327974445323627
Energy: -1.7528312773251524
Energy: -1.872467937593241
Energy: -1.829114557358393
Energy: 0.028439629141940363
Energy: -1.4541994127434512
Energy: -1.7367103867990854
Energy: -1.5263194732544503
Energy: -1.7329548518769142
Energy: -1.421303646338792
Energy: 0.21753657315087982
Energy: -1.60627473434993
Energy: -1.6401563455153514
Energy: -1.4411270570822543
Energy: -1.6512642652104068
Energy: -1.490933178492351
Energy: -3.2260940427260123
Energy: -2.2210585823363846
Energy: -1.5903942937234603
Energy: -1.5783855035329397
Energy: -2.246472332022964
Energy: -1.6670119458071304
Energy: 0.21624832856351386
Energy: -1.805037083089462
Energy: -1.6323988933769904
Energy: -1.8603952897228706
Energy: -1.6284234769983632
Energy: -2.1989353332391937
Energy: 0.18897257720746324
Energy: -1.543434240656817
Energy: -2.2530768200173514
Energy: -1.9528129845521718
Energy: -2.2544400328664054
Energy: -1.7477046282060478
Energy: -3.13747372693283
Energy: -1.7502418941010442
Energy: -1.6628890923139747
Energy: -1.4293073403519947
Energy: -1.7664323295110025
Energy: -2.814482689156776

minimum gb energy = -3.2260940427260123 eV
minimum distance =  2.35541425700126 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: -2.2400157742264715
Energy: -2.098024392356605
Energy: -2.2751675699062535
Energy: -2.3578385191668385
Energy: -2.3789086985435057
Energy: -2.7182107191816116
Energy: -2.0112262232220735
Energy: -2.168749527719485
Energy: -1.998873000272731
Energy: -1.7842131910446846
Energy: -2.163372274948569
Energy: -2.0024088545033987
Energy: -2.0013274687819997
Energy: -2.1606706007456324
Energy: -2.00406582502402
Energy: -1.7968307583024419
Energy: -2.154943461705924
Energy: -2.4061088316914345
Energy: -2.1934794960726864
Energy: -2.0307898398388233
Energy: -2.2449452395181493
Energy: -2.1915637428782695
Energy: -1.9318114263810664
Energy: -2.3218269383418586
Energy: -2.003953874129035
Energy: -1.7525818267079034
Energy: -1.370348561372661
Energy: -2.4299845678761764
Energy: -1.3985264147678418
Energy: -2.0003300345869524
Energy: -2.1845959283005687
Energy: -2.279918617419347
Energy: -2.2430992663933504
Energy: -2.577637633512138
Energy: -2.0259815325006487
Energy: -2.4382265559445617
Energy: -1.639029114881569
Energy: -2.1621654155108074
Energy: -1.6894921972121963
Energy: -2.317955857798568
Energy: -2.1607011285960325
Energy: -2.1889165483919846
Energy: -1.5989827667233367
Energy: -1.5909007367702164
Energy: -1.8133748959069758
Energy: -2.0018466933071672
Energy: -2.158335965595576
Energy: -2.0571709448193323
Energy: -2.163667245947026
Energy: -2.154072405312871
Energy: -2.3834416575669826
Energy: -1.981583193826628
Energy: -2.3102019872962636
Energy: -2.165768604957984
Energy: -2.3200604696266116
Energy: -1.8878902152105712
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Energy: -1.7687891151697377
Energy: -1.784052197359038
Energy: -2.204284623471449
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Energy: -1.9749767486876526
Energy: -2.107483767408212
Energy: -1.783816374796171
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Energy: -1.8028465943082568
Energy: -2.307189378803596
Energy: -2.350695740496452
Energy: -2.316963325586262
Energy: -2.694131785367345

minimum gb energy = -2.7182107191816116 eV
minimum distance =  2.31623970800534 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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Energy: -4.762551057061099
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Energy: -4.826472613929164
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Energy: -4.692328885627761
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Energy: -4.1260676737912085
Energy: -4.488089316628955
Energy: -4.260504432563095
Energy: -4.908937978897227
Energy: -5.207569305723618
Energy: -4.4852536333458835
Energy: -5.3663226215164705
Energy: -4.9580535028422705
Energy: -5.188591963254517
Energy: -5.361217699409363
Energy: -4.9035179064530015
Energy: -5.218910479401987
Energy: -5.361435873265302
Energy: -5.2142583622760466
Energy: -4.486953285668664
Energy: -5.34805497878523
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Energy: -4.556599135614536
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Energy: -5.213529722113285
Energy: -5.208505085614562
Energy: -5.196422146261969
Energy: -5.20755512795727
Energy: -6.627740648651281

minimum gb energy = -6.627740648651281 eV
minimum distance =  2.48461661828397 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: -0.7980079615308489
Energy: -1.1544169913433993
Energy: -1.3445957932639225
Energy: -1.2906918559232667
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Energy: -1.296808920251902
Energy: -1.3391713206044462
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Energy: -1.7204268896689079
Energy: -1.319955284163821
Energy: -1.718424729494834
Energy: -1.6428349644465348
Energy: -1.3509868926063884
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Energy: -1.6788802604538966
Energy: -1.40830598363153
Energy: -1.8003217775836637
Energy: -1.6787603305076662
Energy: -1.3345354713257869
Energy: -1.3971892788585176
Energy: -1.7173927837571878
Energy: -1.5558877192874165
Energy: -1.5647756998515265
Energy: -1.6781717545988153
Energy: -1.2733572190899107
Energy: -1.7983395119594165
Energy: -1.5079061046755742
Energy: -1.3914973961831423
Energy: -1.4339297828359885
Energy: -1.6788163042302995
Energy: -1.5639612864562047
Energy: -1.3795031215010152

minimum gb energy = -2.5354930323644314 eV
minimum distance =  2.35351105814009 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.8922412859616297
Energy: -2.0646452356463434
Energy: 0.9963925413994618
Energy: 0.9957274433053199
Energy: 0.9982439509446069
Energy: 0.8913880315612369
Energy: 0.9036155379471533
Energy: 0.9996596927017268
Energy: 0.9046749001745013
Energy: 0.9025692953794262
Energy: 0.9063910497697395
Energy: 0.9959817304821419
Energy: 0.9993141178930598
Energy: 0.9956642111668641
Energy: 0.9043794596403659
Energy: 0.9110153669664345
Energy: 0.9041572457582908
Energy: 0.9960114240374386
Energy: 0.9978351499162474
Energy: 0.9956203937235566
Energy: 0.9039065316279551
Energy: 0.9066225732408149
Energy: 1.0004585521540272
Energy: 0.9976565659867359
Energy: 0.9977244860607032
Energy: 1.0006790544254187
Energy: 0.9953035285148872
Energy: 0.8920659186759735
Energy: 0.9997500709646565
Energy: 0.9961567710585043
Energy: 0.9037347036568775
Energy: 0.9952404401019045
Energy: 0.8915816857541348
Energy: 0.8921886296770096
Energy: 0.9966892200254519
Energy: 0.9052681666974491
Energy: 0.9037383633627524
Energy: 0.9051645167682332
Energy: 0.9967271951987591
Energy: 0.9035977757708115
Energy: 1.0007614725810876
Energy: 0.9042144152215196
Energy: 0.9046137618720589
Energy: 0.9043397167402684
Energy: 0.9964324671988349
Energy: 0.9993816719261529
Energy: 0.9997653164705225
Energy: 0.9044503625105015
Energy: 0.9036919231370636
Energy: 0.9040937337762301
Energy: 0.9960841838905027
Energy: 0.9971578043602214
Energy: 0.9963595414995652
Energy: 0.9045676739576021
Energy: 0.8920787224049801
Energy: 0.9996075832936107
Energy: 0.9986901784817046
Energy: 0.9951894397327206
Energy: 0.9987355396724059
Energy: 0.9962078912115557

minimum gb energy = -2.0646452356463434 eV
minimum distance =  2.35334733415342 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -1.4180544373779178
Energy: -2.4765294483800724
Energy: -2.7328557593308105
Energy: -2.752057996762075
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Energy: -2.3283389153179552
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Energy: -2.883648373472366
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Energy: -3.2685811075555766
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Energy: -3.037256605761008
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Energy: -3.4674338864138483
Energy: -2.7903761017951663
Energy: -2.8280598841774043
Energy: -2.6611714492271794
Energy: -2.505099327771638
Energy: -2.4168144098069533
Energy: -3.4753691027193407
Energy: -2.8204371810630966
Energy: -3.4598994441781477
Energy: -2.483682849003589
Energy: -2.301696144238968
Energy: -2.4101067699724603
Energy: -2.04333313183729
Energy: -2.5899543346105918
Energy: -1.9117817869623053
Energy: -3.2387462148425623

minimum gb energy = -3.5264827880938103 eV
minimum distance =  2.34861766473535 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -0.6805843289902445
Energy: -2.71820713087211
Energy: -3.1140826381719666
Energy: -3.123403782132831
Energy: -2.8071313445942914
Energy: -3.0561666950246975
Energy: -1.8470358616380271
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Energy: -2.4254570073599706
Energy: -2.540289847938381
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Energy: -1.695713837150722
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Energy: -1.8433405603977804
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Energy: -1.8373349149909044
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Energy: -2.535039530862841
Energy: -2.1273786799640804
Energy: -2.4961733568709965
Energy: -2.4531542194129834

minimum gb energy = -3.233675893399096 eV
minimum distance =  2.32540991534253 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: -0.933376071825564
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Energy: -2.507961385147915
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Energy: -1.4077305373236086
Energy: -2.4962809739522003
Energy: -2.5103051226681417
Energy: -2.4956340158670183
Energy: -2.5108052654216944
Energy: -1.5883229073839784
Energy: -1.451325180197573
Energy: -2.508046497438348
Energy: -2.512760133317189
Energy: -2.1546511632195458
Energy: -1.4255715707280037
Energy: -1.6762221662332286
Energy: -1.9420761804554103
Energy: -1.3725441644456886
Energy: -2.1497425232348064
Energy: -1.6409260772959124
Energy: -1.9640221036466983
Energy: -1.6518220632385214
Energy: -1.6786514811262483
Energy: -1.969067483870691
Energy: -2.2042190377933024

minimum gb energy = -2.512760133317189 eV
minimum distance =  2.35170739662107 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: -2.042476263087233
Energy: -2.482459587619381
Energy: -4.057724131383684
Energy: -4.08782608782023
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Energy: -5.001062041580845
Energy: -4.485907068689919
Energy: -4.493160305747859
Energy: -4.034323248092084
Energy: -4.417217488799624
Energy: -4.556820031696881
Energy: -4.080080124457361
Energy: -4.473227973582973
Energy: -4.470741437048167
Energy: -4.062191440076927
Energy: -4.496134751939812
Energy: -4.479263059008537
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Energy: -4.517894279093127
Energy: -4.061814359573796
Energy: -4.04664037788058
Energy: -4.028035235506548
Energy: -4.130435859680912
Energy: -4.072765010976112
Energy: -4.0743405335044
Energy: -4.021654117182278
Energy: -4.106380471227929
Energy: -4.521491181728054
Energy: -4.1353717989881424
Energy: -3.9955348756725986
Energy: -4.462257364439
Energy: -5.044371999364941
Energy: -4.245355932924933
Energy: -4.506538555698109
Energy: -4.030464903555798
Energy: -4.031374218849147
Energy: -4.102916174281473
Energy: -5.089951655522338
Energy: -4.039265780116717
Energy: -4.503942520204134
Energy: -4.503260889562559
Energy: -5.041622009159571
Energy: -4.545299402854924
Energy: -4.07543038204902
Energy: -4.05803686504245
Energy: -4.511136768342751
Energy: -4.4502646569971995
Energy: -4.074909904511892
Energy: -4.487817629759484
Energy: -4.516913228865741
Energy: -2.566777536765091
Energy: -4.521840622678056
Energy: -4.43258159044999
Energy: -4.063334227031804
Energy: -4.4344927814733115
Energy: -4.4567422879507905
Energy: -4.047301349717693
Energy: -4.073307330534033
Energy: -4.45510468950526
Energy: -3.9959516760212215
Energy: -4.541083062477767
Energy: -4.088571329524792
Energy: -3.975007916070182
Energy: -4.0344934766189064
Energy: -4.469664054690248
Energy: -4.12509444757055
Energy: -4.468173375624646
Energy: -4.073305856380584
Energy: -0.4241552921825664
Energy: -4.513022356684771
Energy: -4.014266372072724
Energy: -4.136635830245814
Energy: -4.09338178885741
Energy: -5.05080019436629

minimum gb energy = -5.089951655522338 eV
minimum distance =  2.48941889584597 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: -0.1327943878143513
Energy: -0.5654421301510603
Energy: -0.8758407255812958
Energy: -0.8808767904191013
Energy: -0.8903358538308579
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Energy: -0.807709597450857
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Energy: -0.7851597658000461
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Energy: -0.6795035228196797
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Energy: -0.7882200909329355
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Energy: -0.7199331799721336
Energy: -0.5130009873361834
Energy: -1.5295115027139656
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Energy: -0.4137049490934786
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Energy: -1.458989995155721
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Energy: -1.0751812676134762
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Energy: -0.5520200960396631
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Energy: -0.6669628413946685
Energy: -0.6984462136295007
Energy: -0.5783073390310066
Energy: -0.6662337788520447
Energy: -0.6979109957531586
Energy: -0.8041366268302943
Energy: -0.7289014509055194
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Energy: -0.33978493786226016
Energy: -0.6595230421499492
Energy: -0.6411576051590228
Energy: -0.8454647372893062
Energy: -0.9226542931031642
Energy: -0.5258513960471011
Energy: -0.6972775283482605
Energy: -0.8227656017255409
Energy: -0.8423477176300226
Energy: -1.644713658659143
Energy: -0.5127936124486471
Energy: -1.2168950442263036
Energy: -0.8561987165592945
Energy: -0.7887811460303793
Energy: -1.1386907495458742
Energy: -0.4742571441551361
Energy: -0.836630140034313
Energy: -0.9023519006551367
Energy: -0.8223259365586989
Energy: -0.7391051574562106
Energy: -1.523849210068375
Energy: -0.7648870427438899
Energy: -0.8757553855592898
Energy: -0.7158804848197688
Energy: -0.6740268692695128

minimum gb energy = -1.6993249933861754 eV
minimum distance =  2.32418535858069 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.6192697217431984
Energy: 0.8068182752914075
Energy: 0.811252531440085
Energy: 0.8074870927716779
Energy: 0.8175483818752223
Energy: 0.6562455776458217
Energy: 0.6824909717210025
Energy: 0.6876418406198751
Energy: 0.6836545814064837
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Energy: 0.6891143783070843
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Energy: -2.1028643710680175
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Energy: 0.6787704336070044
Energy: 0.688125986975444
Energy: 0.6852546975755437
Energy: 0.6857970096443398
Energy: 0.690002886032447
Energy: 0.6835329077490778
Energy: 0.6834420332548975
Energy: 0.6829662469499955
Energy: 0.6888541152339047
Energy: 0.6894377039897506
Energy: 0.6884450858763412
Energy: 0.6852561283164417
Energy: 0.6806979723329573
Energy: 0.6861475094871204
Energy: 0.6901019891928922
Energy: 0.6575093780726914
Energy: 0.6964330674981215
Energy: 0.6824820934940202
Energy: 0.2636436045859564
Energy: 0.6880206996546295
Energy: 0.6885330719460003
Energy: 0.8076692196399973
Energy: 0.6902793610147162
Energy: 0.6916233348759087
Energy: 0.26683264724142153
Energy: -2.5073519714090247
Energy: 0.6890711189289989
Energy: 0.8071342655849807
Energy: 0.6884366847898153
Energy: 0.6920252333249829
Energy: 0.8040431551429977
Energy: 0.6858768175632565
Energy: 0.6419278023588075
Energy: 0.6063743402082652
Energy: 0.6932123781526254
Energy: 0.8077689785966451
Energy: 0.8008893498112775
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Energy: 0.6410182418103584
Energy: 0.6083365128392569
Energy: 0.6924909702046262
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Energy: 0.6835529833596684
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Energy: 0.6925518382597708
Energy: 0.6584118487373043
Energy: 0.6875191082936074
Energy: 0.6877723711198171
Energy: 0.6826565632470133
Energy: 0.6883744911715047
Energy: 0.690864998401884
Energy: 0.6827124743028479
Energy: 0.6879275874243453
Energy: 0.6876902455439539
Energy: 0.6804602709314613
Energy: 0.6870821064787673
Energy: 0.6843226010514026
Energy: 0.6603069115495805
Energy: -2.101925785134526
Energy: 0.6864987499948082
Energy: 0.6854930825384402
Energy: 0.6876279018787554
Energy: 0.6949817519927499
Energy: 0.6875161798287589
Energy: 0.6885716443719796
Energy: 0.6861446701648974
Energy: 0.686422491938121
Energy: 0.6880397956196642
Energy: 0.6836648209728343
Energy: 0.8034552334190952
Energy: 0.8132348034421796
Energy: 0.6912481393865461
Energy: -2.912726566987077
Energy: 0.6882730980214276
Energy: 0.8113146187660989
Energy: 0.6446769950126753
Energy: 0.6878053743742644
Energy: 0.6850427304643926
Energy: 0.6788815176680844
Energy: 0.6881125912824515
Energy: 0.6856782131920787

minimum gb energy = -2.912726566987077 eV
minimum distance =  2.34878460524583 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.2823161514151386
Energy: -3.8677843273068366
Energy: -2.1745047237484685
Energy: -2.3432477859016068
Energy: -3.7571987860569536
Energy: -0.9125675999994401
Energy: -3.7599009866379767
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Energy: -3.3911016820402398
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Energy: -2.712466376594859
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Energy: -3.9260494705333686
Energy: -2.0686281575192034
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Energy: -3.9216955400929487
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Energy: -1.87364510149167
Energy: -3.9396377296868543
Energy: -4.338114311922177
Energy: -0.9988920331065632
Energy: -3.843893543630677
Energy: -3.421173289452175
Energy: -1.8669733069020251
Energy: -3.9396837916075573
Energy: -3.4593409108448268
Energy: -2.065576498011977
Energy: -3.7643833518950567
Energy: -1.9273032466161752
Energy: -3.9024195767136654
Energy: -3.884396246019017
Energy: -3.93604519488289
Energy: -2.0300662728695604
Energy: -4.6969893981488955
Energy: -3.845016458593566
Energy: -3.854295578739341
Energy: -4.463360645015651
Energy: -2.10111102579859
Energy: -3.9769306117193075
Energy: -3.8911242158885195
Energy: -2.700967569573186
Energy: -3.541606366609589

minimum gb energy = -4.750035474748819 eV
minimum distance =  2.28545707723484 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: -3.0689404143434285
Energy: -3.8814829647543396
Energy: -3.0618754141810927
Energy: -3.5050419134896726
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Energy: -3.060645983793572
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Energy: -3.568593288798773
Energy: -3.476235825114524
Energy: -3.75418770313321

minimum gb energy = -4.187599685890162 eV
minimum distance =  2.2974636223464 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

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Energy: -2.1177232153817966
Energy: -2.25882158065361

minimum gb energy = -2.816536710154129 eV
minimum distance =  2.35637273298466 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

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Energy: -1.0542657923588863
Energy: -1.0697312063075952
Energy: -0.6460189453075388
Energy: -0.5243030934290729

minimum gb energy = -1.3496365463126383 eV
minimum distance =  2.330800689298 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014989941339760933