Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.623951092362404
cohesive_energy=4.187902368921966
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01610351626062522
Energy: 1.058381055999407
Energy: 0.01610351626093728
Energy: 1.0583810559991296
Energy: 0.01610351626093728
Energy: 1.058381055999407
Energy: 1.0583810559991296
Energy: 0.6692874099360795
Energy: 1.0583810559991296
Energy: 0.6692874099357675
Energy: 1.0583810559991296
Energy: 0.6692874099363568
Energy: 0.01610351626093728
Energy: 1.058381055999407
Energy: 0.016103516261249343
Energy: 1.0583810559991296
Energy: 0.01610351626093728
Energy: 1.058381055999407
Energy: 1.0583810559991296
Energy: 0.6692874099360795
Energy: 1.0583810559991296
Energy: 0.7321049428363133
Energy: 1.0583810559991296
Energy: 0.6692874099360795
Energy: 0.01610351626062522
Energy: 1.058381055999407
Energy: 0.01610351626093728
Energy: 1.0583810559991296
Energy: 0.01610351626093728
Energy: 1.0583810559991296
Energy: 1.0583810559991296
Energy: 0.6692874099360795
Energy: 1.058381055999407
Energy: 0.6692874099360795
Energy: 1.058381055999407
Energy: 0.6692874099360795

minimum gb energy = 0.01610351626062522 eV
minimum distance =  2.41206581178363 Angstroms
sigma value = 1


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

Energy: 0.9085359655140641
Energy: 0.7046925702762142
Energy: 0.9085359655140641
Energy: 0.7046925488796487
Energy: 0.908535965513313
Energy: 0.7046925025643556
Energy: -2.2280004340857924
Energy: -4.105916831566682
Energy: -2.6092660467122
Energy: -4.115882578382401
Energy: -3.3016081471073333
Energy: -4.935971014138827
Energy: 0.7864065851079179
Energy: -2.939644437991509
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Energy: 0.7864061890558032
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Energy: -2.6182547442152933
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Energy: -3.251371225555601
Energy: -2.2960511892695172
Energy: 1.0217973398298814
Energy: -2.6880763029383283
Energy: 1.021797339828379
Energy: -2.180465709142107
Energy: 1.021797339826877
Energy: -4.582273442135571
Energy: 0.8552381114242816
Energy: -1.7603064176483807
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Energy: -2.1334347224915975
Energy: 0.8552381114212768
Energy: -2.2099330918360827
Energy: 0.8542536667807223
Energy: 0.7663149034663957
Energy: 0.8542536667807223
Energy: 0.7663149034678982
Energy: 0.8542536667529292
Energy: 0.7663149034656447
Energy: 0.7603943767168627
Energy: -4.137199282868299
Energy: 0.760394376717614
Energy: -4.0730892684197295
Energy: 0.7603943767191164
Energy: -3.102621906288609
Energy: -4.593301087740753
Energy: -4.521826422670505
Energy: -4.134756080688627
Energy: -2.7270473107791715
Energy: -4.385312228978416
Energy: -4.8117922153672
Energy: -3.570746040636889
Energy: -3.6113178933048906
Energy: -5.039595271115168
Energy: -3.555705132391754
Energy: -3.829474615974284
Energy: -4.238066180853452
Energy: -4.346556968714582
Energy: 0.8809842400920084
Energy: -4.408373300347445
Energy: 0.8809842400942618
Energy: -3.2138358579335127
Energy: 0.8809842400912572
Energy: 0.4068406869820643
Energy: 1.1162447847713164
Energy: -2.847050261713227
Energy: 1.1162447847525372
Energy: -2.90727519866804
Energy: 1.116244784708218

minimum gb energy = -5.039595271115168 eV
minimum distance =  2.29706539970372 Angstroms
sigma value = 33


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

Energy: 0.9468276477251631
Energy: 1.1459182547609383
Energy: 0.9468276477251631
Energy: 1.1459182547605111
Energy: 0.9468276477255905
Energy: 1.1459182547596565
Energy: 1.056780247382762
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Energy: 1.0567799521868713
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Energy: 1.0567789031922816
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Energy: 0.6320688395056995
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Energy: 0.9402879483674017
Energy: 0.9430782044741628
Energy: 0.9402879483699653
Energy: 0.943078204472881
Energy: 0.9402879483708199
Energy: 0.94307820447459
Energy: 0.6322473716584895
Energy: 0.793741862964348
Energy: 0.6322473716589168
Energy: 0.7937418629609299
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Energy: 0.793741862963066
Energy: 0.8236188496978551
Energy: 0.7945331529808927
Energy: 0.8236188496982824
Energy: 0.7945331529838836
Energy: 0.8236188496987096
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Energy: 0.9487973385078718
Energy: 1.0560799783583021
Energy: 0.9487973385057356
Energy: 1.0560799783565933
Energy: 0.9487973385082991
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Energy: 1.055572937394338
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Energy: 0.633615881126519
Energy: 0.6837360044026967
Energy: 0.6336158811278008
Energy: 0.6837360044039784

minimum gb energy = -4.223942101326343 eV
minimum distance =  2.35523424496282 Angstroms
sigma value = 51


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

Energy: 0.9003405374472874
Energy: 1.010116966999824
Energy: 0.9003405374502574
Energy: 1.0101169669988337
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Energy: -2.1677816535963768
Energy: 0.854641136473572
Energy: -2.1650759760961806
Energy: 0.854641136475552

minimum gb energy = -2.2948185531106615 eV
minimum distance =  2.33866319897711 Angstroms
sigma value = 19


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

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Energy: 0.7086322742228317
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Energy: 0.6382355821134482
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Energy: 0.7086322742228317
Energy: 0.6382355821140354
Energy: 0.9720348701172468
Energy: 0.9075315471716254
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Energy: 0.9075315471733872
Energy: 0.9720348701072907
Energy: 0.9075315471727999
Energy: 0.5992115656589265
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Energy: 0.599211565660101
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Energy: 0.599211565659514
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Energy: 0.8523822845840984
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Energy: 0.90566114547644
Energy: 0.9720056424168162
Energy: 0.9074889624194711
Energy: 0.9720056424132929
Energy: 0.9074889624206454
Energy: 0.972005642405659
Energy: 0.9074889624206454
Energy: 0.7086322742228317
Energy: 0.6382355821134482
Energy: 0.7086322742234189
Energy: 0.638235582112861
Energy: 0.7086322742234189
Energy: 0.6382355821140354
Energy: 0.9720348701190084
Energy: 0.9075315471722127
Energy: 0.972034870118421
Energy: 0.9075315471716254
Energy: 0.9720348701090523
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Energy: 0.5992115656589265
Energy: 0.9056019119880996
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Energy: 0.7082015427173185
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Energy: 0.8029477851349215
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Energy: 0.802947785136096
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Energy: 0.8523569088354307
Energy: 0.5992985006984907
Energy: 0.8523569088360179
Energy: 0.5992985006984907
Energy: 0.8523569088354307
Energy: 0.5992985006984907
Energy: 0.5991985592893305
Energy: 0.9056611454770274
Energy: 0.5991985592893305
Energy: 0.9056611454770274
Energy: 0.5991985592893305
Energy: 0.9056611454770274
Energy: 0.9720056424185779
Energy: 0.9074889624188838
Energy: 0.9720056424144672
Energy: 0.9074889624200582
Energy: 0.9720056424044846
Energy: 0.9074889624200582
Energy: 0.7086322742228317
Energy: 0.6382355821140354
Energy: 0.7086322742222444
Energy: 0.638235582112861
Energy: 0.7086322742228317
Energy: 0.6382355821140354
Energy: 0.9720348701166596
Energy: 0.9075315471722127
Energy: 0.972034870117834
Energy: 0.9075315471727999
Energy: 0.9720348701078779
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Energy: 0.599211565659514
Energy: 0.905601911989274
Energy: 0.599211565659514
Energy: 0.905601911989274
Energy: 0.599211565659514
Energy: 0.9056019119857507

minimum gb energy = 0.5991985592887433 eV
minimum distance =  2.35902421906052 Angstroms
sigma value = 27


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

Energy: 0.6497621438833872
Energy: 0.5927876862452667
Energy: 0.6497621438848254
Energy: 0.5927876862452667
Energy: 0.6497621438848254
Energy: 0.5927876862452667
Energy: -0.620951543802472
Energy: -0.9349487012293659
Energy: -0.7774861650690449
Energy: -0.930033877331793
Energy: -0.7781744214296203
Energy: -0.9369582116467284
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Energy: -1.2118349638783354
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Energy: -1.2311355975519855
Energy: 0.5755325316135904
Energy: -1.2205825234109942
Energy: 0.8690424462706772
Energy: 0.5717494132187665
Energy: 0.8690424462692388
Energy: 0.5717494132173282
Energy: 0.8690424462692388
Energy: 0.5717494132187665
Energy: -0.8647166169761665
Energy: 0.5717565934296823
Energy: -0.8655476300661171
Energy: 0.5717565928675378
Energy: -0.8652512223369552
Energy: 0.5717565934066683
Energy: 0.7490350220513038
Energy: 0.8365906336951316
Energy: 0.7490350220441119
Energy: 0.8365906335858802
Energy: 0.7490350220110291
Energy: 0.8365906331674754
Energy: 0.7050256644276948
Energy: 0.6347702170735937
Energy: -0.7240470940101382
Energy: 0.6347702170735937
Energy: -0.7240530276701429
Energy: 0.6347702170721554
Energy: 0.6486435229167717
Energy: 0.5917173138483707
Energy: 0.6486435229182101
Energy: 0.5917172898639932
Energy: 0.6486435229167717
Energy: 0.5917173126953139
Energy: -0.9366991800020357
Energy: 0.5758783794180986
Energy: -0.9233542420165456
Energy: 0.5758783794166602
Energy: -0.9243170201657395
Energy: 0.5758783794094684
Energy: 0.6807091943816481
Energy: -2.343580735535877
Energy: 0.6807091943802098
Energy: -1.8248401567034704
Energy: 0.6807091943802098
Energy: -2.7896333108690903
Energy: -1.190161642081586
Energy: 0.5742784395919173
Energy: -1.3958130424863116
Energy: 0.5742784395919173
Energy: -1.4076623819622667
Energy: 0.5742784395919173
Energy: -1.1791730216839398
Energy: 0.7400193410180474
Energy: -1.1653749010102512
Energy: 0.7400182591228969
Energy: -1.3638144861482722
Energy: 0.7400121244581891

minimum gb energy = -2.7896333108690903 eV
minimum distance =  2.36480343456169 Angstroms
sigma value = 9


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

Energy: 0.7122594694081865
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Energy: 0.7122594694106115
Energy: 0.600395812953511
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Energy: 0.505874477997955
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Energy: 0.5058509077715881
Energy: -3.0008358346259216
Energy: 0.5572405707359374
Energy: -2.578276418247935
Energy: 0.557240570735129
Energy: -3.8584666945425394
Energy: 0.5572405707193672
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Energy: -3.703619997781186
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Energy: -4.0277263810177155
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Energy: 0.47193900390269655
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Energy: 0.5573188694027615
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Energy: -4.504345546787818
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Energy: -3.636812959296887
Energy: -3.38112462958542
Energy: 0.6433321934215745
Energy: -3.6484085230341203
Energy: 0.6433276891354827
Energy: -3.9678858367887617
Energy: 0.6433171713818746
Energy: 0.7122594694089948
Energy: 0.6003958129543192
Energy: 0.7122594694081865
Energy: 0.6003958129531068
Energy: 0.7122594694098031
Energy: 0.6003958129527026
Energy: -4.054301072834356
Energy: 0.5873639977520847
Energy: -3.419598846792752
Energy: 0.6219624821384434
Energy: -3.882022765420542
Energy: 0.5058744779955301
Energy: 0.47371536130594816
Energy: -3.9895929030386927
Energy: 0.4737153613051398
Energy: -4.221641285137523
Energy: 0.47371536130635233
Energy: -4.614211233281338
Energy: 0.5278973772776754
Energy: 0.5058589901182998
Energy: 0.5278973772784469
Energy: 0.5058682007422172
Energy: 0.5278973772202861
Energy: 0.5058277278718557
Energy: -3.315911751572359
Energy: 0.5572405707343208
Energy: -2.557085260436976
Energy: 0.5572405707347249
Energy: -3.617058541279529
Energy: 0.5572405707181547

minimum gb energy = -4.6635372199128655 eV
minimum distance =  2.33742644336032 Angstroms
sigma value = 57


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

Energy: -1.2882611141481943
Energy: -1.3711523384109774
Energy: 0.3800846152720021
Energy: -1.3715358043343
Energy: -1.2912872545065297
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Energy: -3.2316850049729102
Energy: -2.9972654880990164
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Energy: -1.2872642860729882
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Energy: 0.3800846152720021
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Energy: -1.4839048222679083
Energy: -3.0192390701703955
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Energy: -1.657367500052449
Energy: -1.4632638055978051
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Energy: -1.657365932757866
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Energy: -2.8381004633686073
Energy: -3.23501331470539
Energy: -3.0387907021220273
Energy: -3.314620976698764
Energy: -2.8379450706941802
Energy: -1.4249381165643464
Energy: -1.705853618033003
Energy: -1.4249422959003837
Energy: -1.7049181443820907
Energy: -1.4249402038354768
Energy: -1.7042422896874434
Energy: -1.768374370531391
Energy: -1.6534178744523793
Energy: -1.7668093986364348
Energy: -1.653642432543257
Energy: -1.7670567598437363
Energy: -1.6534252573029513
Energy: -2.966858654156957
Energy: -3.2757400282915135
Energy: -2.9661781901253454
Energy: -2.122538671160344
Energy: -2.9666696444716707
Energy: -3.327566235024261

minimum gb energy = -3.327566235024261 eV
minimum distance =  2.35727087180909 Angstroms
sigma value = 11


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

Energy: -2.9749114129853513
Energy: -2.0826141625772894
Energy: -2.52259517730204
Energy: -2.100162968410103
Energy: -2.6250595264106957
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Energy: -2.4793754334263403
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Energy: -2.076967348730261
Energy: -3.4077890664419908
Energy: -2.591734790984296
Energy: -3.57445675642957
Energy: -2.29426194115737
Energy: -3.54899284541632
Energy: -2.6532170409739884
Energy: -3.7477549827550596
Energy: -2.37262271336268
Energy: -4.077976900087444
Energy: -2.4277557798004987
Energy: -3.0900585727500354
Energy: -2.1535462154560867
Energy: -2.614360637837579
Energy: -2.1638364404493875
Energy: -2.545491715566616
Energy: -2.1176388119591283
Energy: -2.4662407236168318
Energy: -3.027185002646819
Energy: -2.6849313804599317
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Energy: -2.696659484871875

minimum gb energy = -4.196327621344028 eV
minimum distance =  2.32802757209839 Angstroms
sigma value = 41


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

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minimum gb energy = -2.7604592641649357 eV
minimum distance =  2.30521834900509 Angstroms
sigma value = 33


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

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Energy: -1.5792590632468766
Energy: -3.4143867491826008

minimum gb energy = -4.182436530821109 eV
minimum distance =  2.29718813215949 Angstroms
sigma value = 67


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

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Energy: 0.5562303488219127

minimum gb energy = -1.3501504230057948 eV
minimum distance =  2.38376120074396 Angstroms
sigma value = 3


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

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minimum gb energy = -5.436875509144912 eV
minimum distance =  2.30576007965209 Angstroms
sigma value = 81


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

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Energy: -3.0631775302078634

minimum gb energy = -3.5228079385501436 eV
minimum distance =  2.23942324739769 Angstroms
sigma value = 43


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

Energy: -1.574445292556522
Energy: -0.9445614081216426
Energy: -1.445421962032337
Energy: -0.9442750487735191
Energy: -1.308651638135479
Energy: -0.9441275876072442
Energy: -2.0890609791115535
Energy: -1.4016368648736286
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Energy: -1.745029444041653
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Energy: -1.4042180013119234
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Energy: -1.1563178167689925
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Energy: -1.6875865037395479
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Energy: -1.487396648370493
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Energy: -1.8488291487754607
Energy: -1.5320633823258232
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Energy: -2.2414223180173236
Energy: -1.5753917964644923
Energy: -1.6025447304011067
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Energy: -1.5017253883587096
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Energy: -1.4746375782586627
Energy: -1.2791450380476048
Energy: -1.3833328121405162
Energy: -2.075337835223048
Energy: -1.3963159689451385

minimum gb energy = -2.7873623051282763 eV
minimum distance =  2.3000061280917 Angstroms
sigma value = 57


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

Energy: -2.0041456994833324
Energy: -1.0378723835992645
Energy: -2.7215111566392767
Energy: -1.0377138520650917
Energy: -2.6786105832639655
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Energy: -1.0772474141664516
Energy: -2.016198560129434
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Energy: -2.0158398618041016
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Energy: -1.821985432043434
Energy: -1.839710950326338
Energy: -2.9173436582881624
Energy: -1.4374825099918
Energy: -1.3452924177708994
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Energy: -1.4985853153325266
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Energy: -1.3993567054716693
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Energy: -1.2178911220772222
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Energy: -1.2164096493593919
Energy: -1.71336072140812
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Energy: -1.1769529325772257
Energy: -1.1604601582582028
Energy: -1.1764349083056187
Energy: -1.0593476443179095

minimum gb energy = -3.327171779045463 eV
minimum distance =  2.34705095085736 Angstroms
sigma value = 17


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

Energy: -0.9955735189324235
Energy: -1.02876369547565
Energy: -1.2660206558455323
Energy: -1.061305909944751
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Energy: -1.6199208499773434
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Energy: -1.4644327505997194
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Energy: -1.5470456098217553
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Energy: -1.3025243333021317
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Energy: -2.051385173891921
Energy: -1.3274672237132903
Energy: -1.1481874168923842
Energy: -1.2318028110847825

minimum gb energy = -3.129805175915381 eV
minimum distance =  2.37754936934918 Angstroms
sigma value = 17


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

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Energy: -2.1459491017442938
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Energy: -2.0010964274908365
Energy: -2.154461389232022
Energy: -1.9919299079269264
Energy: -2.2887441165083073
Energy: -2.1777421107779467
Energy: -1.8068021467115454
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Energy: -3.0202153708782613
Energy: -2.4523277331671767
Energy: -2.011313264742029
Energy: -2.0303393175238624
Energy: -2.07295487598729
Energy: -2.345612635341675
Energy: -2.645194987299189
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Energy: -3.1074433469651543
Energy: -2.062631794039407
Energy: -2.8605769603681424
Energy: -2.310683422068368
Energy: -2.3460183576227243
Energy: -1.7256125245800142
Energy: -1.962514671461296
Energy: -1.5993545048127484
Energy: -2.5702314669571593
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Energy: -1.7359006391229301
Energy: -2.005032059862543
Energy: -2.0053613419644205
Energy: -2.1738121514873296
Energy: -1.7072285387824992
Energy: -2.00248450636128
Energy: -2.6493348192709116
Energy: -2.9929051578211783
Energy: -2.63694699281588
Energy: -2.9928474353956576
Energy: -2.398680592404886
Energy: -2.9929100437697467
Energy: -2.5856042926181555
Energy: -1.9325250630490312
Energy: -1.8807568941363222
Energy: -2.222306347074689
Energy: -1.944803887773348
Energy: -3.0434596267441743
Energy: -1.9766849910388775
Energy: -2.2216057496593273
Energy: -1.6553464375326445
Energy: -2.2209808983138637
Energy: -2.363102238854742
Energy: -2.2993099247829587

minimum gb energy = -3.929262261392065 eV
minimum distance =  2.25807670415222 Angstroms
sigma value = 57


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

Energy: -2.9766738096987515
Energy: -2.124115107207638
Energy: -4.012632849966125
Energy: -2.06546564864595
Energy: -3.0007488430797906
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Energy: -2.6057225518204343
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Energy: -2.480526714364222
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Energy: -2.4297928655156484
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Energy: -2.8483549163238635
Energy: -2.410590515675079
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Energy: -3.2805916406775575
Energy: -2.9490842204761156
Energy: -2.465804437149426
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Energy: -2.5455291270222045
Energy: -3.0009913359764804
Energy: -2.9591176946258138
Energy: -2.9126212437662105
Energy: -2.924723955243601
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Energy: -2.5645831909004944
Energy: -2.6378881335148767
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Energy: -2.364723063654634
Energy: -2.4767769005342988
Energy: -2.572374644785833
Energy: -2.473150722776331
Energy: -2.4884335899415873
Energy: -2.980020759497914
Energy: -2.624404567423487
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Energy: -2.754229915643898
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Energy: -2.4599991093907376
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Energy: -2.598467512693147
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Energy: -3.0221062846378515
Energy: -3.003045456562035
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Energy: -2.339187958016088
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Energy: -2.373014271742724
Energy: -2.5387160779277163
Energy: -2.785619054550952
Energy: -2.375807855946907
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Energy: -2.663950453345815
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Energy: -3.06517457597257
Energy: -2.7679247796816426
Energy: -2.6899206493375325
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Energy: -3.7940229662526885
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Energy: -2.537323885651018
Energy: -2.2608471377564676
Energy: -2.8462499390560145
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Energy: -2.5478019747693534
Energy: -2.5642830487907724
Energy: -2.4303445144552267
Energy: -2.6764465391010845
Energy: -2.6071399276065814
Energy: -2.454127726297658
Energy: -2.556303474176395
Energy: -2.768510488388027
Energy: -2.724512617445214
Energy: -2.7826726234989994
Energy: -2.7981640480394625
Energy: -2.2667504575316966
Energy: -2.3163784033426738
Energy: -2.541328689888345
Energy: -3.253567521102103
Energy: -2.553151420712447
Energy: -3.6879416606283564
Energy: -3.100239842932306
Energy: -2.8668149001040666
Energy: -3.034095991351711
Energy: -2.9491748515704823
Energy: -3.2246925284095167
Energy: -2.799597759950694
Energy: -3.0805625991367966
Energy: -2.5363918607805593
Energy: -3.7815034736404356
Energy: -2.9105414763391075
Energy: -2.735593572157096
Energy: -2.5909770724719574
Energy: -2.8406641098457324
Energy: -2.539850185205851
Energy: -2.847069542920313
Energy: -2.5998544179137397
Energy: -2.77497252735286
Energy: -2.6848985923433064
Energy: -3.4502294904534896
Energy: -2.823641179834051
Energy: -2.986917647817852
Energy: -2.9148952422916823
Energy: -2.7410926506119533
Energy: -2.768379338619623
Energy: -2.410494759592852
Energy: -2.335542294066828
Energy: -2.316019883165229
Energy: -2.7437130274920305
Energy: -2.403183786563952
Energy: -2.4684824247092765
Energy: -2.4997692764918584
Energy: -2.2632607735414014
Energy: -2.9512069737046582
Energy: -2.5980814605952807
Energy: -2.9452209413417805
Energy: -2.4317263134380775
Energy: -2.5030142244631874
Energy: -2.928748443996983
Energy: -3.4971597921687576
Energy: -2.41703763227937
Energy: -3.2433839798638036

minimum gb energy = -4.012632849966125 eV
minimum distance =  2.32346638573829 Angstroms
sigma value = 43


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

Energy: -1.5311923997893686
Energy: -1.5580637767485384
Energy: -1.0679416153820516
Energy: -1.4132254097817067
Energy: -1.0858421232401083
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Energy: -2.017007556180132
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Energy: -2.072297215496082
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Energy: -1.6064908717031952
Energy: -1.429977126348699
Energy: -2.502145629567292
Energy: -1.3688709686295932
Energy: -2.6626402713856545
Energy: -1.243057459146766
Energy: -2.0624963434472545
Energy: -2.050438532619731
Energy: -1.6682212632359452
Energy: -1.3735925304226
Energy: -1.795316882819446
Energy: -2.4553370878412726
Energy: -1.4795675737004026
Energy: -1.7508764740411986
Energy: -1.809724620600243
Energy: -1.5881250990270388
Energy: -1.9094728093774302
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Energy: -1.7440664605575207
Energy: -1.5519669709341124
Energy: -1.9899261260812775
Energy: -1.8211363364751625
Energy: -2.5950846895748847
Energy: -1.3689466782351922
Energy: -2.3789871680728125
Energy: -1.5685400026305396
Energy: -1.7639351859551222
Energy: -1.743096313024016
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Energy: -1.873164547650037
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Energy: -2.119873235894872
Energy: -1.4864502761358385
Energy: -1.876031920415569
Energy: -1.775390359829489
Energy: -2.518521563984025
Energy: -1.741682753402086
Energy: -1.6278097754053562
Energy: -1.7416908728287055
Energy: -2.5285542740354043
Energy: -1.3136414612150153
Energy: -2.8661334750282066
Energy: -1.6939192280782256
Energy: -1.7023736060058987
Energy: -1.6106462115620088
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Energy: -1.5308145568651894
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Energy: -1.4562553589611256
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Energy: -1.8508833245118443
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Energy: -1.6157692691071504
Energy: -1.9168191214925399
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Energy: -3.1665982564447788
Energy: -1.6130882351762552
Energy: -3.5206798928318204
Energy: -1.7612691315319686
Energy: -1.3380446087012652
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Energy: -1.5056295766060332
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Energy: -1.4847357536519386
Energy: -1.7305817174796188
Energy: -1.4861791241283198
Energy: -1.7715633785618141
Energy: -1.4354837687106445
Energy: -1.6923634842299438
Energy: -1.4877568769807672
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Energy: -1.6114643360232739
Energy: -2.954298399010832
Energy: -1.6853518082721615
Energy: -2.676484909048847
Energy: -1.9951177311224344
Energy: -1.8400313913569177
Energy: -1.9247211033465683
Energy: -1.5209333418442617
Energy: -1.6828420086400953
Energy: -1.6476606416344426
Energy: -1.7257450236596426
Energy: -1.7790366257107186
Energy: -1.4293782327793532
Energy: -1.9816048966129232
Energy: -1.4263838317304103
Energy: -1.7466758137395682
Energy: -1.4324533648942073

minimum gb energy = -3.5206798928318204 eV
minimum distance =  2.33375891412454 Angstroms
sigma value = 81


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

Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: 0.6169475639688644
Energy: -0.08853278851970978
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.08627828943936476
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: 0.6169351519862818
Energy: -0.08853701727015081
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169351519862818
Energy: -0.08853701726838915
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: 0.6169475639688644
Energy: -0.08853278851794813
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.0862782894376031
Energy: -0.01747799577799866
Energy: -0.0862782894376031

minimum gb energy = -0.08853701727015081 eV
minimum distance =  2.44849896522555 Angstroms
sigma value = 3


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

Energy: -2.914987709430147
Energy: -0.13981239515971142
Energy: -2.9894042073310763
Energy: -0.13981239536047033
Energy: -3.008285178847576
Energy: -0.13981240125379096
Energy: -0.07893538134884637
Energy: -2.9699892383032562
Energy: -2.7446022727123527
Energy: -3.253106857003976
Energy: -2.656741691048683
Energy: -3.0073611249364127
Energy: -2.781996691754491
Energy: -3.0062272015804927
Energy: -2.9064215289259905
Energy: -3.2405923909355323
Energy: -2.8926064575640598
Energy: -2.7739197513225204
Energy: -2.847842729613606
Energy: -2.9032458159180385
Energy: -3.099928578049345
Energy: -2.8297060754115453
Energy: -2.800108809174726
Energy: -3.0027136094673743
Energy: -0.058634148448739244
Energy: -2.91928071368287
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Energy: -2.8801059274053613
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Energy: -2.8928805825083037
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Energy: -2.9621454078747202
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Energy: -2.6221701369232746
Energy: -2.8029533074910504
Energy: -2.9176959337024173
Energy: -3.250666798316519

minimum gb energy = -3.7057622956690457 eV
minimum distance =  2.36115418336329 Angstroms
sigma value = 67


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

Energy: -3.743774361606265
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Energy: -3.454015153385362
Energy: -3.851743195204852
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Energy: -4.256012627473344
Energy: -3.6457115389613324
Energy: -4.597198445792397
Energy: -3.5940121188202356
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Energy: -4.272873906919262
Energy: -4.351153693364737
Energy: -4.286589105638866
Energy: -3.749786409338194
Energy: -4.266595497902785
Energy: -3.753510207521978
Energy: -4.060036363335867
Energy: -4.322389226011564
Energy: -3.990254204843184
Energy: -4.595957174099783
Energy: -4.027802790356455
Energy: -4.43707983703603
Energy: -4.280827463985102
Energy: -4.7326543884613015
Energy: -3.4100621622038183
Energy: -4.589355574565616
Energy: -3.734183970208247
Energy: -4.59197874707068

minimum gb energy = -4.906516903273233 eV
minimum distance =  2.4303880772029 Angstroms
sigma value = 33


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

Energy: -2.3610080896218073
Energy: -2.7768751601646087
Energy: -2.4165493730962533
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Energy: -3.0565253125933523
Energy: -3.046898903985946
Energy: -3.11581076552806
Energy: -2.8829050291222216
Energy: -3.621761452463564

minimum gb energy = -3.896131399988747 eV
minimum distance =  2.30209045447051 Angstroms
sigma value = 41


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

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Energy: -2.4298791075140533
Energy: -1.9764364740751657
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Energy: -2.324438501714117
Energy: -1.6421917836166822
Energy: -3.0504372141656284
Energy: -1.4898925874362017
Energy: -3.3541474081507854
Energy: -1.8411027496667802
Energy: -3.310309486657956
Energy: -1.72666185628376
Energy: -2.7579762961546694
Energy: -2.4121466244686154
Energy: -2.6225299124023516
Energy: -2.2365245866747068
Energy: -2.626372958047556
Energy: -2.3510610638044165
Energy: -2.897603550852021
Energy: -2.188326042490148
Energy: -2.8208684153976233
Energy: -2.1826344692014583
Energy: -2.63188485741846
Energy: -2.099220579108742
Energy: -2.319148464119738
Energy: -2.1177692624165667
Energy: -2.380197388281513
Energy: -2.1003761629127555
Energy: -2.348757327169665
Energy: -2.0726951541189558
Energy: -2.088569305972743
Energy: -2.446418070757821
Energy: -1.8994096426785625
Energy: -2.2028534785965985
Energy: -1.6712385991520908
Energy: -2.2025569994564

minimum gb energy = -3.416246963391866 eV
minimum distance =  2.35772347988487 Angstroms
sigma value = 11


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

Energy: 0.2579165040710742
Energy: -2.2401997901650987
Energy: -2.9020996185104666
Energy: -2.2578186862762317
Energy: -3.053749374961343
Energy: -2.1996659524455384
Energy: -1.6743476993997437
Energy: -1.4742440806581416
Energy: -1.6837594182948932
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Energy: -1.4230198036671453
Energy: 0.4530448353211135
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Energy: -1.6188974789392678
Energy: -2.766533798302115
Energy: -1.6618887379385787
Energy: -2.5804275331950173
Energy: 0.2726315125228442
Energy: -1.6586318341755668
Energy: 0.2726304663862749
Energy: -1.0422397461176365
Energy: 0.272628195572731
Energy: -2.354097774498072
Energy: -1.8835062280864685
Energy: 0.3527876086253401
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Energy: -1.1149367185271255
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Energy: -1.7585573827096848
Energy: -2.307454303344133
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Energy: -2.651072464323056
Energy: -2.527115830291546
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Energy: -1.9571599058036144
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Energy: -2.485770079810264
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Energy: -1.8095706487938938
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Energy: -3.2248777055665365
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Energy: -2.2250244024326906
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Energy: -1.9828582804926782
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Energy: -1.299389797826286
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Energy: -1.8786365892948573
Energy: -2.349560507380565
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Energy: 0.2835033478671822
Energy: -2.2546991597993413
Energy: -1.6665524202416413
Energy: -2.7167005792013255
Energy: -2.894398111255139
Energy: -1.9882603676817943
Energy: -1.8953665908196318
Energy: -1.5260622885803643
Energy: -1.8838862259891977
Energy: -2.14954157807945
Energy: -1.8501964301550742
Energy: -2.2152405058117584
Energy: -1.6138995617613197
Energy: -2.2741157219857135
Energy: -1.8828187482999725
Energy: 0.2599068529882971
Energy: -1.9923111594522391
Energy: 0.2598762868531861
Energy: -1.9575701462065151
Energy: 0.2579429556775821
Energy: -2.0053183852941006
Energy: -1.7118831162997217
Energy: 0.37632055904642847
Energy: -1.823273859371602
Energy: -2.5512284584865674
Energy: -1.5198059163766682
Energy: -1.8335807429688245
Energy: -1.8719818714267698
Energy: 0.2675800798369088
Energy: -2.1855528094872803
Energy: 0.2675787522288173
Energy: -2.060756344627451
Energy: 0.26757569793387115
Energy: -2.204345987254557
Energy: -1.0360990207972742
Energy: -2.2879716559584913
Energy: -1.6413187032617957
Energy: -2.0879779224828496
Energy: -1.5156944002079629
Energy: 0.2762757173322311
Energy: -1.261586081876986
Energy: 0.2762670036914294
Energy: -1.6615470896894615
Energy: 0.2762629930025578
Energy: -1.1277125215145376

minimum gb energy = -3.2248777055665365 eV
minimum distance =  2.3337942520285 Angstroms
sigma value = 57


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

Energy: 0.44425692051617954
Energy: 0.8571092340677166
Energy: 0.4442569205182136
Energy: 0.8571092340666995
Energy: 0.4442569205151624
Energy: 0.8571092340677166
Energy: 0.33884704502937696
Energy: 0.5978100240781047
Energy: 0.33884684475923293
Energy: 0.5978100224606584
Energy: 0.33884659005235357
Energy: 0.597810019817387
Energy: 0.3151591563757903
Energy: 0.6600806061018261
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Energy: -1.4717814642871199
Energy: 0.36347745047085617
Energy: -0.6744549701054934
Energy: 0.3634774504698391
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Energy: 0.3164144905371014
Energy: 0.6600197838371942
Energy: 0.31642883533654037
Energy: 0.6600197838402454
Energy: 0.3164595692476599
Energy: 0.6600197838382114
Energy: 0.324336522657594
Energy: 0.5983708598775266
Energy: 0.3243368238237764
Energy: 0.5983707146307922
Energy: 0.32433764283269023
Energy: 0.5983703722542638
Energy: 0.4442569205192307
Energy: 0.8571092340677166
Energy: 0.4442569205151624
Energy: 0.8571092340666995
Energy: 0.4442569205171965
Energy: 0.8571092340666995
Energy: 0.3388470247068617
Energy: 0.5978100239408903
Energy: 0.33884684762820527
Energy: 0.5978100224810001
Energy: 0.3388466519013905
Energy: 0.5978100199892284
Energy: 0.31515374148171627
Energy: 0.6600806061028431
Energy: 0.3151702888754926
Energy: 0.660080606100809
Energy: 0.3152142223478416
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Energy: 1.0048070056957408
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Energy: 1.0048070056520524
Energy: 0.3634774504698391
Energy: 1.0048070055696685
Energy: 0.3164150434507624
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Energy: 0.3164584238885094
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Energy: 0.3243364945100245
Energy: 0.5983708577761777
Energy: 0.3243368009799477
Energy: 0.5983707285464893
Energy: 0.3243372847207105
Energy: 0.5983703819428069
Energy: 0.4442569205151624
Energy: 0.8571092340677166
Energy: 0.4442569205182136
Energy: 0.8571092340666995
Energy: 0.4442569205171965
Energy: 0.8571092340666995
Energy: 0.3388470140179206
Energy: 0.5978100238595234
Energy: 0.33884684410048393
Energy: 0.5978100223030561
Energy: 0.3388466673441055
Energy: 0.5978100199078615
Energy: 0.3151594643310771
Energy: 0.6600806061018261
Energy: 0.3151740052557979
Energy: 0.660080606100809
Energy: 0.3152106857829436
Energy: 0.6600806061018261
Energy: 0.3634774504698391
Energy: 1.0048070056957408
Energy: 0.36347745047085617
Energy: 1.0048070056479843
Energy: 0.36347745046882196
Energy: 1.0048070055656464
Energy: 0.316414950161197
Energy: 0.6600197838382114
Energy: 0.3164290371112803
Energy: 0.6600197838371942
Energy: 0.31645810929561796
Energy: 0.6600197838392284

minimum gb energy = -1.4717814642871199 eV
minimum distance =  2.31308141745839 Angstroms
sigma value = 9


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

Energy: 0.40972311708948644
Energy: 0.6226141196003449
Energy: -1.0485961911879456
Energy: 0.6226136451226536
Energy: -1.7550421341112685
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Energy: -2.2032650415235726
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Energy: -3.8638955883590373
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Energy: -3.166949860377578
Energy: 0.457580326722693
Energy: -2.8805172043677594
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Energy: -1.9776162563006408
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Energy: -1.9332089016595086
Energy: -1.49175658619611
Energy: 0.45352416066286794
Energy: -1.4087698462624323
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Energy: -1.3358405677294212
Energy: -3.0153819499342625
Energy: -3.4392380125923894
Energy: -2.893897923512534
Energy: -2.956907386172013
Energy: -3.1700941336590667
Energy: -3.0704427187527066
Energy: -3.514961700074698
Energy: -1.2590812217166794
Energy: 0.5457401074433947
Energy: -1.1533617634175457
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Energy: -2.7331519470373817
Energy: 0.3693545740790973
Energy: -2.730312211619876
Energy: 0.3693542770691271

minimum gb energy = -4.345678503627158 eV
minimum distance =  2.28772580386118 Angstroms
sigma value = 27


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

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Energy: -1.7752121998524102
Energy: -2.979196736481671
Energy: -2.2716895540928275
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Energy: -2.7974734412248314
Energy: -2.025753747969342
Energy: -3.202369511102957

minimum gb energy = -3.4092556366770608 eV
minimum distance =  2.36817599416382 Angstroms
sigma value = 19


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

Energy: -0.8382100741091167
Energy: -0.8422970188695588
Energy: -1.9609337508092197
Energy: -0.5284008620283683
Energy: -1.6532686986980072
Energy: -0.7092851433040579
Energy: -1.1000006683022285
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Energy: 0.5168955649074493
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Energy: -0.6863613415676852
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Energy: -0.611198599175341
Energy: 0.4934166536287157
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Energy: 0.493416885694562
Energy: -0.7566516376159886
Energy: 0.49341727313754996
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Energy: -1.1088900337834675
Energy: -1.5067351686843087
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Energy: -1.0500653377467943
Energy: -1.3881131725880373
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Energy: -1.4384979697700193
Energy: -1.1456443430106622
Energy: 0.5332740718645621
Energy: -1.1037352971276402
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Energy: 0.5332715032334437
Energy: -1.9480471733027307
Energy: -1.0883658338046955
Energy: -1.1160443200072725
Energy: -0.8708688180646792
Energy: -0.7180948183848631
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Energy: 0.4888599389352109
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Energy: -0.9027284705380714
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Energy: -2.432038453738916
Energy: 0.5175206673750489
Energy: -2.012333169617471
Energy: 0.5175058979732022
Energy: -0.6586582986398672
Energy: -1.3203873789283647
Energy: -1.3992025032017288
Energy: -1.394715551813827
Energy: -0.9415730033671712
Energy: -2.140280452768082
Energy: 0.4996778416204736
Energy: -0.7550032531951977
Energy: 0.4996778417539557
Energy: -0.7836067766098166
Energy: 0.49967784209458216
Energy: -0.9793030746061102
Energy: 0.5216711239110278
Energy: -1.283862457902751
Energy: 0.521671085416302
Energy: -1.3524771511016729
Energy: 0.5216709991890657
Energy: -0.9226524399785834
Energy: -0.7903773736418634
Energy: 0.4490770247321355
Energy: -0.8111993658502261
Energy: 0.4490758594853795
Energy: -0.8112028632629481
Energy: 0.4490736778557418
Energy: 0.42844044066730863
Energy: -0.6274243903959125
Energy: 0.4284404406467645
Energy: -0.8151700361364002
Energy: 0.4284404406038909
Energy: -0.7687109630609748
Energy: 0.41249267508835524
Energy: -1.5289256475921849
Energy: 0.4124925631929239
Energy: -1.7663331304928058
Energy: 0.41249236036775877
Energy: -1.0709347918397198
Energy: -1.8876090901545357
Energy: 0.49665078528713746
Energy: -1.8378551647180301
Energy: 0.49665061746817374
Energy: -1.0553969913906807
Energy: 0.4966502769314259
Energy: 0.5335388924896631
Energy: -0.8306730426249639
Energy: 0.5335384289758333
Energy: -1.2012581330864263
Energy: 0.5335371535452929
Energy: -0.7143962796798244
Energy: 0.5451156501096631
Energy: -0.7920986195889574
Energy: 0.5451156500746173
Energy: -0.8499375821612244
Energy: 0.5451156499532199
Energy: -0.795499038333205
Energy: -1.3979152323656165
Energy: 0.3811030725828878
Energy: -0.4822740888032876
Energy: 0.38802463599429404
Energy: -1.8623942168151666
Energy: 0.3962804555220443
Energy: -1.496227062051422
Energy: -0.5249632167085302
Energy: -1.1223732587477295
Energy: -0.8404137133275673
Energy: -1.1521466916300533
Energy: -1.873205398874757

minimum gb energy = -2.432038453738916 eV
minimum distance =  2.29245529002642 Angstroms
sigma value = 101


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

Energy: 0.40759264361917447
Energy: -2.2320617606473423
Energy: 0.4075926433892802
Energy: -2.247981404554804
Energy: 0.4075926427739113
Energy: -2.2422229385659467
Energy: 0.34882136964947424
Energy: 0.36936090684029715
Energy: -1.9922786412253526
Energy: -0.7658577730817401
Energy: -0.6421207491915241
Energy: -0.7662771966932032
Energy: 0.7974906813920613
Energy: 0.3122464850897291
Energy: 0.7974906813894057
Energy: 0.312364334687136
Energy: 0.7974906813676282
Energy: 0.3126706658184156
Energy: 0.3510781996374758
Energy: 0.7758552330207958
Energy: 0.3405258909308515
Energy: 0.7758552331137
Energy: 0.3522685234100658
Energy: 0.3184698812946512
Energy: 0.35388659825301133
Energy: 0.44087870558026115
Energy: 0.3538865756968687
Energy: -2.3653535461079396
Energy: 0.35388649137547545
Energy: -2.1712302008551347
Energy: 0.7099384299513054
Energy: 0.2446510425092047
Energy: 0.7099384299550234
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Energy: 0.24465104234671908
Energy: 0.342089675674734
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Energy: 0.34215881637752743
Energy: 0.7353089543082373
Energy: -0.7483157448758981
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Energy: -2.4761697332258747
Energy: 0.4708544073224729
Energy: -2.3479862700494105
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Energy: -2.3171174631640743
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Energy: -2.007345236317278
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Energy: -0.705619324328474
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Energy: -2.362445796934897
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Energy: -2.0661704117933044
Energy: -2.5195117780712737
Energy: -2.223226991610523
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Energy: -0.7448501462231001
Energy: -2.5475535712651
Energy: -0.7229849770769551
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Energy: 0.30397651323542974
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Energy: -1.8432045199381903
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Energy: -2.715667867355628
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Energy: -2.6353817714859495
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Energy: -1.394240029966728
Energy: 0.24099444247550508
Energy: -0.9330821033184344
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Energy: 0.3520146793040932
Energy: 0.9505175062104863
Energy: 0.3511408198871398
Energy: 0.950517506209955
Energy: 0.3555492852584115
Energy: 0.9505175062104863
Energy: 0.43348568087438394
Energy: 0.4158075766986679
Energy: 0.4334961606571967
Energy: -0.5277132331381864
Energy: 0.43350045676428095
Energy: -1.4311853182856835
Energy: -0.5422338755866757
Energy: 0.3323337854257875
Energy: -0.6137867513787941
Energy: 0.332333785417289
Energy: -3.1763895732741156
Energy: 0.3323337854087905
Energy: -1.8389175370573088
Energy: -1.1086753206497082
Energy: -2.8103978700296843
Energy: -0.718708330502587
Energy: -0.8149285859428445
Energy: -0.6224074788259026
Energy: 0.36205268077457464
Energy: -1.6006661820150223
Energy: 0.36205267520148693
Energy: -1.8767693464180728
Energy: 0.3620526605120143
Energy: -1.0003419828151148
Energy: 0.9491094293372235
Energy: 0.3323431630283225
Energy: 0.9491094293345678
Energy: 0.33234316302991596
Energy: 0.9491094293345678
Energy: 0.33234316301876166
Energy: 0.35532792782340217
Energy: -1.3934707538047038
Energy: 0.3553280172994283
Energy: -1.4212623721914452
Energy: 0.35532818476299893
Energy: -1.4578435576988507
Energy: 0.470710800867901
Energy: -1.1695638003341802
Energy: 0.4707108008179724
Energy: -2.0353718689483085
Energy: 0.47071080071285165
Energy: -2.124204553133991
Energy: -1.777628918382063
Energy: 0.24361694654692434
Energy: -2.336160885506823
Energy: 0.24361694613542292
Energy: -1.1709041604455181
Energy: 0.24361694545003776
Energy: -1.6111070480855338
Energy: 0.31143979523253096
Energy: -0.663698782073306
Energy: 0.31143983645322537
Energy: -0.7261483824719428
Energy: 0.311440309755776

minimum gb energy = -3.1763895732741156 eV
minimum distance =  2.28894854634154 Angstroms
sigma value = 33


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

Energy: 0.01822599930224086
Energy: 0.6089640223692145
Energy: 0.01822599930224086
Energy: 0.6089640223696559
Energy: 0.01822599930179954
Energy: 0.6089640223692145
Energy: 0.018817740684293795
Energy: -3.358004184929426
Energy: 0.018817740684293795
Energy: -3.358004184929426
Energy: 0.018817740684293795
Energy: -3.358004184929426
Energy: -0.04472366749788709
Energy: -3.3581658901511378
Energy: -0.049721922106694884
Energy: -3.3581658901515796
Energy: -0.05167543349713425
Energy: -3.3581658901511378
Energy: 0.018817740684735115
Energy: -3.358004184929426
Energy: 0.018817740684293795
Energy: -3.358004184928985
Energy: 0.018817740684735115
Energy: -3.3580041849298183

minimum gb energy = -3.3581658901515796 eV
minimum distance =  2.47447303381074 Angstroms
sigma value = 1