Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_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=3.6583663821220402
cohesive_energy=4.00235933929048
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: 0.015087071755750596
Energy: 1.0653678337410921
Energy: 0.01508707175544438
Energy: 1.0653678337410921
Energy: 0.015087071755750596
Energy: 1.065367833740786
Energy: 1.0653678337410921
Energy: 0.9622855596703
Energy: 1.0653678337410921
Energy: 0.9622855597035417
Energy: 1.0653678337410921
Energy: 0.9622855597421249
Energy: 0.015087071755750596
Energy: 1.0653678337413641
Energy: 0.01508707175544438
Energy: 1.0653678337410921
Energy: 0.01508707175544438
Energy: 1.0653678337416703
Energy: 1.065367833740786
Energy: 0.9622855596699939
Energy: 1.0653678337410921
Energy: 0.9622855596242315
Energy: 1.0653678337413641
Energy: 0.9622855596655027
Energy: 0.015087071755750596
Energy: 1.0653678337413641
Energy: 0.01508707175544438
Energy: 1.065367833740786
Energy: 0.015087071755750596
Energy: 1.0653678337410921
Energy: 1.065367833740786
Energy: 0.9622855596780916
Energy: 1.065367833740786
Energy: 0.9622855596583235
Energy: 1.065367833740786
Energy: 0.9622855597095298

minimum gb energy = 0.01508707175544438 eV
minimum distance =  2.49486344878744 Angstroms
sigma value = 1


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

Energy: 0.6959305950544336
Energy: -2.63314987024134
Energy: 0.6959305950448511
Energy: -2.57538347621962
Energy: 0.6959305950514851
Energy: -2.6516852384316016
Energy: -2.4531960884614503
Energy: 0.25924311957756047
Energy: -3.3680622996072302
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Energy: -2.745509432348783
Energy: 0.2781683541760228
Energy: -2.973855294613888
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Energy: -2.6560634445482663
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Energy: -2.472963300934854
Energy: -2.682613544484221
Energy: 0.45585879188515055
Energy: -2.5119011143683587
Energy: 0.45585863936754717
Energy: -2.5170181269157768
Energy: 0.45585867148946313
Energy: -2.322673890171274
Energy: -2.2068184417142565
Energy: -2.3899869142929906
Energy: -2.4110990759127953
Energy: -3.4501642383911304
Energy: -2.473053584968892
Energy: -2.503235773517828
Energy: -2.3817531859531083
Energy: -2.507381741941165
Energy: -2.6067176033505137
Energy: -2.678047796037099
Energy: -2.6564495390564984
Energy: 0.3770549733401216
Energy: -3.027874751392074
Energy: 0.37705878063728676
Energy: -2.2726048698812256
Energy: -2.651765467199795
Energy: -2.2393543867678747
Energy: -2.516715664388828
Energy: -3.42694535545183
Energy: -2.444961866944734
Energy: -3.6490135296259476
Energy: -2.574754239510645
Energy: -2.6313391886742763
Energy: 0.10708791424641434
Energy: -2.6922370570540775
Energy: 0.10708791424641434
Energy: -2.6640984584074676
Energy: 0.10708791423756911
Energy: -2.7393917740706324

minimum gb energy = -4.566337859623926 eV
minimum distance =  2.31577948504947 Angstroms
sigma value = 33


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

Energy: -2.1862524158594816
Energy: -2.3114803009729985
Energy: -3.0242462385377533
Energy: -2.0832154327416816
Energy: -2.4477095893045115
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Energy: 0.6340281586993586
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Energy: 0.6340281586951659
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Energy: -2.052651295582185
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Energy: -2.4022182212075687
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Energy: -4.049991802717547
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Energy: -2.5691879285746126
Energy: -2.638309056721429
Energy: -3.126636093837191
Energy: -3.439548906282971
Energy: -2.654061636336654
Energy: -2.646512069220722
Energy: -2.6122868749665478
Energy: -2.215624244939398
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Energy: -2.170266243982951
Energy: -2.0199372295426286
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Energy: -2.108698189972551
Energy: -2.103498734015574
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Energy: -2.940525386142149
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Energy: 0.4641227972694437
Energy: -2.588848299175306
Energy: 0.4641207660787818
Energy: -2.5133286082909194

minimum gb energy = -4.223294649224545 eV
minimum distance =  2.27665374651924 Angstroms
sigma value = 51


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

Energy: 0.64094505836466
Energy: 0.5894961590044006
Energy: 0.64094505834426
Energy: -1.6941616161176305
Energy: 0.6409450583627171
Energy: -1.7760161698402679
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Energy: -1.5405090037087805
Energy: -1.856870880866597
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Energy: -1.9620234904320784
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Energy: 0.5634647608490179
Energy: -1.829948931320892
Energy: 0.5634530832232412
Energy: -1.5547864046407671
Energy: 0.5634515296739003

minimum gb energy = -2.4415731863202486 eV
minimum distance =  2.34385553442253 Angstroms
sigma value = 19


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

Energy: 0.45131808660147527
Energy: 0.15402707044506575
Energy: 0.45131808660205147
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Energy: 0.4627533302080292
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Energy: 0.46275333020514814
Energy: 0.1489752889355354
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Energy: 0.13969908989808588
Energy: -1.5332424996262315
Energy: 0.1396584777416308
Energy: -1.5608072381555809
Energy: 0.1396399059502612
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Energy: 0.797720288189339
Energy: 0.6821564276875124
Energy: 0.7977202082847554
Energy: 0.6821564227987358
Energy: 0.45131808660089906
Energy: 0.154027070392656
Energy: 0.4513180866026277
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Energy: -1.332251421312037
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Energy: -1.5896222469722
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Energy: -1.494173593147931
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Energy: -1.4152090425614405
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Energy: 0.4627448518527818
Energy: 0.15027607164984125
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Energy: 0.32052192735937235
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Energy: 0.14897528896892995
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Energy: 0.4627533302039957
Energy: 0.14897528896088907
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Energy: -1.4880600890221993
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Energy: -1.5196131075594614
Energy: 0.13969720558421037
Energy: -1.2326825614477412
Energy: 0.7977203107867006
Energy: 0.6821564330912195
Energy: 0.797720300849587
Energy: 0.6821564263017571
Energy: 0.7977201699302021
Energy: 0.6821564263351515
Energy: 0.45131808660205147
Energy: 0.154027070411095
Energy: 0.4513180866026277
Energy: 0.15402707044393954
Energy: 0.4513180866026277
Energy: 0.15402707040936636
Energy: 0.7971542594204339
Energy: -1.365024972086461
Energy: 0.7971543027611185
Energy: -1.3857911335147137
Energy: 0.7971542525336426
Energy: -1.3634568809002454
Energy: 0.1472300819414321
Energy: -1.3256039942406144
Energy: 0.14723105598285635
Energy: -1.3254215299241408
Energy: 0.1472319758324412
Energy: -1.3443629214060249

minimum gb energy = -1.5896222469722 eV
minimum distance =  2.30499418892299 Angstroms
sigma value = 27


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

Energy: 0.34185636691130517
Energy: 0.09396978678034289
Energy: 0.341856366914128
Energy: 0.09396978678034289
Energy: 0.34185636691271665
Energy: 0.09396978678034289
Energy: -1.2004346649789057
Energy: -0.08347386703972311
Energy: -1.0327264738865747
Energy: -0.08440923353373828
Energy: -1.191559497277345
Energy: -0.08395606111095878
Energy: -0.007552081438724585
Energy: 0.4613203183419658
Energy: -0.007552081434490253
Energy: 0.46132031833914294
Energy: -0.007552081438724585
Energy: 0.46132031833490855
Energy: -0.870216544394003
Energy: 0.09618918110762999
Energy: -0.5500636620275738
Energy: 0.09618918110904146
Energy: -0.5645048427242614
Energy: 0.09618918110762999
Energy: 0.054885925342483245
Energy: 0.09366486199754073
Energy: 0.05632267574228778
Energy: 0.0936648619961293
Energy: 0.056152281124893455
Energy: 0.09366486199189496
Energy: -0.6191476641863418
Energy: -1.5739581573010668
Energy: -0.7224789175655462
Energy: -1.890661351989736
Energy: -0.7776830361721435
Energy: -1.6349528233561061
Energy: -0.6148477490972702
Energy: -0.08954034853206669
Energy: -0.45064930445572754
Energy: -0.09018326803447785
Energy: -0.43776029011648143
Energy: -0.09102816639643961
Energy: 0.29530254742217216
Energy: 0.09100415652717543
Energy: 0.29530254742076073
Energy: 0.09100415652717543
Energy: 0.2953025474193493
Energy: 0.09100415652717543
Energy: 0.12089312589241046
Energy: -0.007096518524917295
Energy: 0.12083864121477632
Energy: -0.007096518522094409
Energy: 0.12086444974882139
Energy: -0.007096518506568529
Energy: 0.12935089310757503
Energy: -1.570037252937912
Energy: 0.12935089310898645
Energy: -1.5472216272971169
Energy: 0.12935089310898645
Energy: -1.6273983652893922
Energy: 0.2275576144999765
Energy: 0.0961832540808664
Energy: 0.22757303787938335
Energy: 0.09618325407945495
Energy: 0.09413646412363612
Energy: 0.09618325409074649
Energy: -0.47468666060664527
Energy: -0.7666738662097778
Energy: -0.4752607460631872
Energy: -0.8031243660398303
Energy: -0.4751922864608203
Energy: -0.6830888574493397

minimum gb energy = -1.890661351989736 eV
minimum distance =  2.33495272544293 Angstroms
sigma value = 9


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

Energy: 0.28366660199974425
Energy: -3.8347066816551427
Energy: 0.2836666944997258
Energy: -4.3571606984391735
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Energy: -6.174502900403716
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Energy: -3.4647411692743413
Energy: -3.9934002663572605
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Energy: -2.782124809325312
Energy: -0.13529482615866564
Energy: -3.535365388739572
Energy: -3.8374027405164357
Energy: 0.07929607948949945
Energy: -6.083051553821988
Energy: 0.07929607949148236
Energy: -3.8579109945229404
Energy: 0.07929607948672339
Energy: -4.365845371442963
Energy: -5.950962748238907
Energy: -5.319736416860325
Energy: -6.077866509230693
Energy: -5.284340009273259
Energy: -6.398447737278723
Energy: -4.71969260314443
Energy: -3.037683180102884
Energy: -4.610272763336121
Energy: -4.482866549625979
Energy: -3.9910417319423956
Energy: -3.868052322757847
Energy: -5.638849113786416
Energy: -6.4054714174252
Energy: -3.391019137471575
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Energy: -5.93851475978783
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Energy: -5.450949206664463
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Energy: -3.34280660671704
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Energy: -3.0594475742446106
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Energy: -2.6440097823312865
Energy: -5.288695463993074
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Energy: -2.4173018099827095
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Energy: -0.04530674727688054
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Energy: -0.045306747274501055
Energy: -2.8767019441611366
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Energy: -2.134281539965503
Energy: -2.763508026209717
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Energy: -5.754898230880881
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Energy: -6.002601906553832
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Energy: -5.9201292620996835
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Energy: -5.938687571000162
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Energy: -2.429531881004244
Energy: -6.089193642814101
Energy: 0.06013348392690562
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Energy: -5.748059836436096
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Energy: -2.7264912217881254
Energy: -0.1351990182295296
Energy: -2.5835695974966697
Energy: -5.43968513415151
Energy: 0.20959420652188235
Energy: -5.530621089693464
Energy: 0.20959420652108915
Energy: -6.620478622520624
Energy: 0.20959420652148578
Energy: 0.2836667865200603
Energy: -5.501416899521258
Energy: 0.28366671354183454
Energy: -2.894340430503816
Energy: 0.2836674833911441
Energy: -3.6536971832778855
Energy: -4.559717717022196
Energy: -3.413241878611105
Energy: -5.55879323153442
Energy: -5.7361221093066845
Energy: -5.920221911797146
Energy: -5.866457233574205
Energy: -0.13529482649601218
Energy: -2.510652853264247
Energy: -0.13529483324795488
Energy: -2.8748264701461146
Energy: -0.13529481550605638
Energy: -3.953939554346789
Energy: -4.146210811748457
Energy: 0.07929607950100032
Energy: -5.913797165237072
Energy: 0.07929607949029262
Energy: -5.299706078871561
Energy: 0.07929607949822425
Energy: -5.522341371793799
Energy: -2.982305209765112
Energy: -5.01547743273571
Energy: -6.714248759267976
Energy: -3.343012923096808
Energy: -5.762720308510858

minimum gb energy = -6.714248759267976 eV
minimum distance =  2.27735108316425 Angstroms
sigma value = 57


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

Energy: 0.3731825378488837
Energy: 0.10053344364267033
Energy: 0.3731825378497865
Energy: 0.10053344369769783
Energy: 0.3731825378497865
Energy: 0.10053344357410143
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Energy: -0.7256744560510171
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Energy: -0.6330178546136332
Energy: 0.23078601739828802
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Energy: 0.2343795220485893
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Energy: 0.23437952207386664
Energy: 0.12175087745731046
Energy: 0.03968087348638104
Energy: 0.0740740007874205
Energy: 0.039680873468325786
Energy: 0.12199692917110928
Energy: 0.03968087347825617
Energy: 0.4090496143354005
Energy: 0.406394493705361
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Energy: 0.4090046449612364
Energy: 0.40695462057850024
Energy: 0.4090046449621391
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Energy: 0.04060479984475726
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Energy: 0.040606200798061036
Energy: 0.07373797023784433
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Energy: 0.23062414939111123
Energy: 0.23586014996353288
Energy: 0.2306241487143267
Energy: 0.23586014978035422
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Energy: -0.6326128911572229
Energy: 0.40860208450619506
Energy: -0.6804032642493865
Energy: 0.40860208450529223
Energy: -0.6315662302355138
Energy: 0.3731825378488837
Energy: 0.10053344371575307
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Energy: 0.10053344377348883
Energy: 0.3731825378497865
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Energy: 0.40863704931134504
Energy: -0.6811030781643932
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Energy: -0.6807195697604086
Energy: 0.40863704931044226
Energy: -0.6807157760881168
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Energy: 0.23078601728638654
Energy: 0.23437952227235123
Energy: 0.23078601671879523
Energy: 0.23437952228228162
Energy: 0.0728709910238692
Energy: 0.03968087346922856
Energy: 0.07289498371998954
Energy: 0.03968087347103408
Energy: 0.0742419899659344
Energy: 0.03968087347825617
Energy: 0.4090496143381087
Energy: 0.40639449370355546
Energy: 0.4090496143363032
Energy: 0.40639449370355546
Energy: 0.4090496143363032
Energy: 0.40639449370355546
Energy: 0.036148438791839536
Energy: 0.2526419700248466
Energy: 0.03614843879815887
Energy: 0.2526419714731647
Energy: 0.036148438800867155
Energy: 0.2526419707683945
Energy: 0.03569530426520432
Energy: 0.2525736717750415
Energy: 0.03569615209614266
Energy: 0.25257367341642756
Energy: 0.03572818530909915
Energy: 0.25257367008942005
Energy: 0.4090046449612364
Energy: 0.40695462057850024
Energy: 0.4090046449612364
Energy: 0.40695462057850024
Energy: 0.4090046449621391
Energy: 0.40695462057850024

minimum gb energy = -0.7257717167576101 eV
minimum distance =  2.47407394985851 Angstroms
sigma value = 11


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

Energy: -3.347197953134033
Energy: 0.16370656566485217
Energy: -3.0389408410034013
Energy: 0.16370656646729917
Energy: -3.1203739856585826
Energy: 0.16370657703930402
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minimum gb energy = -4.6061997439729385 eV
minimum distance =  2.32665020975488 Angstroms
sigma value = 41


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

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minimum gb energy = -3.1449514357221537 eV
minimum distance =  2.32220591959522 Angstroms
sigma value = 33


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

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Energy: -6.321750759520559
Energy: -3.2299331379215954
Energy: -5.395272096057502

minimum gb energy = -6.389936775150122 eV
minimum distance =  2.22550547909221 Angstroms
sigma value = 67


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

Energy: -0.022545240852620874
Energy: -0.548376339980912
Energy: -0.022545240852843124
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Energy: -0.32991923576853366
Energy: 0.33517735547427374
Energy: -0.32991923577389526
Energy: 0.3351773554764684

minimum gb energy = -0.5483763399826342 eV
minimum distance =  2.41860223291841 Angstroms
sigma value = 3


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

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Energy: -1.1436811090853851

minimum gb energy = -5.920464260290286 eV
minimum distance =  2.39219440242371 Angstroms
sigma value = 81


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

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Energy: -0.7762863998576782
Energy: -0.7805990217321677
Energy: -1.0668465380347683
Energy: -0.7805990217307981
Energy: -1.0668465362817576
Energy: -0.7805990217312546
Energy: -1.066846536927099
Energy: -1.2939272467130454
Energy: -0.23994913247224706
Energy: -1.2971242037242159
Energy: -0.2399491329204203
Energy: -1.2635032334081338
Energy: -0.23994913253156347
Energy: -1.5550438035049914
Energy: -1.5363851480974693
Energy: -1.8485563337289181
Energy: -0.7582659434851075
Energy: -1.7072247655685935
Energy: -0.7643008826610904
Energy: -0.7997164544280048
Energy: -0.6846004392060655
Energy: -0.7997164544617517
Energy: -0.684600439203326
Energy: -0.7997164544434876
Energy: -0.6846004392024126
Energy: -1.0613142921297505
Energy: -0.7689115849733509
Energy: -1.0613142921238148
Energy: -0.7689115849518907
Energy: -1.0613142921343164
Energy: -0.768911584948238

minimum gb energy = -1.9079143382337087 eV
minimum distance =  2.39668228358073 Angstroms
sigma value = 43


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

Energy: -0.22753992734805345
Energy: -0.5598986738623821
Energy: -0.22753992734693176
Energy: -0.5598986738679905
Energy: -0.22753992734637085
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Energy: -0.211548834633033
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Energy: -1.1465669048610099
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Energy: -0.8857381996891687
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Energy: -0.8857375550924007
Energy: -0.35746581233600705
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Energy: -0.4645850510112175
Energy: -0.7586685776365316
Energy: -0.46451738945302623
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Energy: -0.43205092364097575
Energy: -2.9486907540455904
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Energy: -1.031435631374971
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Energy: -1.0354164055521131
Energy: -0.3321486450113777
Energy: -1.0357119786255222
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Energy: -0.3817846203492164
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Energy: -0.38178462035258154
Energy: -0.8893044144396428
Energy: -0.45473927838944894
Energy: -0.6847157506591081
Energy: -0.4547392783838405
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Energy: -0.4547392783838405
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Energy: -0.3905855667496471
Energy: -0.5572739069341607
Energy: -0.3905855667479645
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Energy: -0.35147307065571987
Energy: -0.7284795651230508
Energy: -0.3514727614300161
Energy: -0.7284795651129554
Energy: -0.3514660421465077
Energy: -0.7284795651157596
Energy: -0.8964291281861391
Energy: -0.5548235466127369
Energy: -0.896429204998124
Energy: -0.5548235465998372
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Energy: -0.5548235465740382
Energy: -0.5522569302266721
Energy: -0.7579507733520939
Energy: -0.562724752312568
Energy: -0.757950773355459
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Energy: -0.7579507733661153
Energy: -0.4046481822646107
Energy: -0.7453773797672676
Energy: -0.404648182259563
Energy: -0.7466736623899296
Energy: -0.40464818227692384
Energy: -0.7473395355976663
Energy: -0.39371160654924214
Energy: -0.49889816031767764
Energy: -0.3937116065559724
Energy: -0.49889816031543427
Energy: -0.39371160654924214
Energy: -0.49889816032328616
Energy: -0.6606893987166148
Energy: -0.42935957000315744
Energy: -0.6605373455993703
Energy: -0.4293595700182749
Energy: -0.6605342862675128
Energy: -0.42935957001659236

minimum gb energy = -2.9486907540455904 eV
minimum distance =  2.39561119871489 Angstroms
sigma value = 57


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

Energy: -0.7482837404386731
Energy: -1.2304469037916235
Energy: -0.7481525883139732
Energy: -1.2299144972757532
Energy: -0.7481560846919403
Energy: -1.2301778352504553
Energy: -0.8851953289292813
Energy: -1.2304875893796456
Energy: -0.8851953541746922
Energy: -1.2312461028375752
Energy: -0.8851953541848587
Energy: -1.2152836240567504
Energy: -1.5269079821135092
Energy: -0.7293477977244021
Energy: -1.4648921947942242
Energy: -0.7300029263008458
Energy: -1.4906673335135525
Energy: -0.7295148977707501
Energy: -0.7462394380302482
Energy: -1.2406773733616898
Energy: -0.7453191652398607
Energy: -1.2219151870386213
Energy: -0.7384720037968647
Energy: -1.2306697102259734
Energy: -1.1119752800080003
Energy: -2.18650673668353
Energy: -1.1119752833164511
Energy: -1.2629099495409684
Energy: -1.1119752822131501
Energy: -1.2052974056515053
Energy: -1.46739235008676
Energy: -1.016065674409516
Energy: -1.4856029646564834
Energy: -1.0093159578559445
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Energy: -0.8723130138322657
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Energy: -0.9967068111349816
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Energy: -1.0209321529602529
Energy: -1.2689101285512754
Energy: -1.7183434984509087
Energy: -1.2685999503032381
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Energy: -1.2574423230429586
Energy: -1.6245451815352407
Energy: -1.7826399663110373
Energy: -1.0294961629513328
Energy: -1.787691637228267
Energy: -1.0299980710577745
Energy: -1.7825932471792725
Energy: -1.0304696258251342
Energy: -1.3243938554593304
Energy: -1.2679390631400123
Energy: -1.3208846601831388
Energy: -1.2604035107310871
Energy: -1.2701690755833126
Energy: -1.2674656192083762
Energy: -1.2248755757182028
Energy: -1.2615115972976887
Energy: -1.2251545063640665
Energy: -1.256386772316641
Energy: -1.2404672761179794
Energy: -1.2605649135794488
Energy: -1.131331315694636
Energy: -1.5259352937707815
Energy: -1.1732884647188409
Energy: -1.5224895097660638
Energy: -1.1778351349631337
Energy: -1.5305953747791334
Energy: -2.5154412064370066
Energy: -1.252967273670478
Energy: -1.6267966883374927
Energy: -1.269570387921682
Energy: -1.5688732058231256
Energy: -1.2689611460354124
Energy: -1.2462131384417339
Energy: -1.2547490780642478
Energy: -1.0632347333120742
Energy: -1.2546454550899877
Energy: -1.1064397008161861
Energy: -1.1986295165629397

minimum gb energy = -2.5154412064370066 eV
minimum distance =  2.35063436190946 Angstroms
sigma value = 17


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

Energy: -1.421226846050083
Energy: -1.3626811917515154
Energy: -1.4212268460387862
Energy: -1.3626811920769268
Energy: -1.4212268460470021
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Energy: -1.4361721618181016
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Energy: -1.7915078859134568
Energy: -2.00341502941901
Energy: -1.791507830176479
Energy: -1.9767401886776916
Energy: -1.9098279702642211
Energy: -1.3090408691718713
Energy: -1.911828076040786
Energy: -1.5952920199214347
Energy: -1.9101989255136385
Energy: -1.5961252044545942
Energy: -1.6330277565837341
Energy: -1.5014322594027725
Energy: -1.632005344527408
Energy: -1.5014305710430833
Energy: -1.6321543884172818
Energy: -1.5014277022787095
Energy: -1.3439303936639788
Energy: -1.4454920118558232
Energy: -1.4046433126076
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Energy: -1.2637740045502248
Energy: -1.4454919908634993
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Energy: -1.493435218364149
Energy: -2.000178673034208
Energy: -1.4934352182481474
Energy: -1.9910042565391268
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Energy: -1.6469755768648575
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Energy: -1.8526839619957562
Energy: -1.3715179754461024
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Energy: -1.3715179724342617
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Energy: -1.6404283725815303
Energy: -2.023831328281608
Energy: -1.7309968365128594
Energy: -1.9780743003971537
Energy: -1.7329451787877483
Energy: -1.9737050116963366
Energy: -1.7438896662950703
Energy: -1.341246950257988
Energy: -1.6621109172519526
Energy: -1.3412469501840456
Energy: -1.6054003320171883
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Energy: -1.4188228878923141
Energy: -2.1136557022651092
Energy: -1.4188228902512314
Energy: -2.113655702236354
Energy: -1.4188228885790344
Energy: -2.1136557022517586

minimum gb energy = -2.1136557022651092 eV
minimum distance =  2.38421098638205 Angstroms
sigma value = 17


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

Energy: -2.01849643600077
Energy: -2.3298691036319528
Energy: -2.0184964359979944
Energy: -2.3298691036375048
Energy: -2.0184964360313074
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Energy: -3.662991760794735
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Energy: -2.3298691036359185
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Energy: -3.1175173113939754
Energy: -2.6528461337848777
Energy: -2.9615534811775093
Energy: -2.684276859581519

minimum gb energy = -4.307742838893641 eV
minimum distance =  2.31185449020987 Angstroms
sigma value = 57


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

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Energy: -2.973185315202867
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Energy: -2.999464868568183
Energy: -4.5806642843311955
Energy: -2.9994648686081598
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Energy: -4.58066428432732
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Energy: -3.1798277325959785
Energy: -3.4444603251794086
Energy: -3.1798277325940405
Energy: -3.4534181982015006
Energy: -3.1798277325972695
Energy: -3.5533813516107977
Energy: -3.8576162584549274
Energy: -3.6733341090842884
Energy: -3.7712518556391355
Energy: -3.606878939656632
Energy: -3.932927612389819
Energy: -3.6072936036351333
Energy: -3.740253638156794
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Energy: -3.7475026062065164
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Energy: -3.6170885706024487
Energy: -3.650040699739173
Energy: -3.6170885705133387
Energy: -3.5456788117820017
Energy: -3.6170885705372307

minimum gb energy = -4.58066428433507 eV
minimum distance =  2.36437259149427 Angstroms
sigma value = 43


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

Energy: -1.9927298803074784
Energy: -2.4491880951797733
Energy: -1.9927298801386615
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Energy: -2.994468596143523
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Energy: -2.6010081515681067
Energy: -2.761139220104788
Energy: -2.6010081573515182
Energy: -2.7521612914221443
Energy: -2.601008176106438

minimum gb energy = -3.111119938093423 eV
minimum distance =  2.37692923175093 Angstroms
sigma value = 81


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

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Energy: 0.009057949048779731
Energy: -1.7332676987702682
Energy: 0.009057949048779731
Energy: -1.6663921024084332
Energy: 0.009057949048779731
Energy: -1.7401545752422445

minimum gb energy = -2.1666557558479007 eV
minimum distance =  2.36911591039826 Angstroms
sigma value = 3


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

Energy: -1.4097972908562044
Energy: -1.2625419851228588
Energy: -1.4097972225261706
Energy: -1.2530484778812194
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Energy: -3.5725770878670433
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Energy: -0.9269344415772495
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Energy: -1.2134161496669642
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Energy: -1.1937959155717317
Energy: -0.8394227673659909
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Energy: -3.822342738420786
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Energy: -3.799630134459179
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Energy: -0.8926355374427962
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Energy: -0.8890991120768076
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Energy: -0.8808492545886045
Energy: -1.0311923722419536
Energy: -1.09744179988175
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Energy: -1.1133866727853046
Energy: -1.0173876082938615
Energy: -1.0675465330128058
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Energy: -1.1551350714036248
Energy: -3.841440987956251
Energy: -1.1234346389768886
Energy: -4.258179402436932
Energy: -1.11622007525797
Energy: -1.131071968009352
Energy: -0.9361945459231116
Energy: -1.1127725967168522
Energy: -0.9358847111202376
Energy: -1.133219698707272
Energy: -0.963440901498619
Energy: -1.0774668204768427
Energy: -1.4388232003527364
Energy: -1.0362692093629882
Energy: -1.505276109182231
Energy: -1.075091930863159
Energy: -1.463964583567332
Energy: -3.972068680339092
Energy: -1.09351583336987
Energy: -4.1208906708803426
Energy: -1.1741279060001082
Energy: -4.204979682536173
Energy: -1.1335204342853749
Energy: -1.3626646517503815
Energy: -3.6369985645362752
Energy: -1.3626646471085964
Energy: -3.8405135008411184
Energy: -1.362664652169211
Energy: -2.809204121897523
Energy: -1.0534424670907152
Energy: -1.3964317329327143
Energy: -1.044484681536609
Energy: -1.3207635234776554
Energy: -1.044902827996618
Energy: -1.3044663756025123

minimum gb energy = -4.635837587371515 eV
minimum distance =  2.30848569295495 Angstroms
sigma value = 67


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

Energy: -5.475473814791334
Energy: -1.4815193499080201
Energy: -4.966851947422267
Energy: -1.4815193412752783
Energy: -3.4192441262300353
Energy: -1.4815193645337394
Energy: -1.818942571032706
Energy: -4.993852343664816
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Energy: -5.633025789228277
Energy: -1.4534022959412147
Energy: -2.685079845924412
Energy: -1.5619950379752787
Energy: -2.926464663378517
Energy: -1.4957697795384728
Energy: -3.483596879817176
Energy: -4.775756317981682
Energy: -1.8554373595252918
Energy: -1.956809276179243
Energy: -1.8807326228130339
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Energy: -1.8555566594541881
Energy: -6.960853464605423
Energy: -1.5094849493898503
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Energy: -1.4394629837860957
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Energy: -7.632657917435057
Energy: -7.541174954486786
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Energy: -7.490889404878902
Energy: -5.108826958455171
Energy: -2.008033293585221
Energy: -7.03335220921657
Energy: -2.008033299299641
Energy: -7.186664105495873
Energy: -2.008033295313659
Energy: -1.5752286278437972
Energy: -6.9891046785716355
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Energy: -6.914541928424655
Energy: -1.5748868875363675
Energy: -5.384314583011142
Energy: -1.635977013165812
Energy: -1.2842658719307514
Energy: -1.6595776125144923
Energy: -1.2798825159011082
Energy: -1.7178784378764866
Energy: -1.2817254445618909

minimum gb energy = -8.10455644268419 eV
minimum distance =  2.28556103406932 Angstroms
sigma value = 33


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

Energy: -4.449570276180887
Energy: -3.3489780013057016
Energy: -4.2598229517201345
Energy: -4.10064909213843
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Energy: -5.602369515871876
Energy: -0.9867941370901814
Energy: -0.9156841779932668
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Energy: -1.0014782282054853
Energy: -1.1954948581637366
Energy: -1.0014782290477244
Energy: -1.239630714411272
Energy: -1.001478227739497
Energy: -0.7929324704899315
Energy: -0.7848739844718062
Energy: -0.7929324786291251
Energy: -0.7753514699919417
Energy: -0.7929324848931852
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Energy: -0.8776382024087516
Energy: -4.9527448776587155
Energy: -0.8776372117246264
Energy: -4.760799006557557
Energy: -0.8776374583297553

minimum gb energy = -5.860939328239079 eV
minimum distance =  2.34759847269924 Angstroms
sigma value = 41


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

Energy: -0.9103840409183361
Energy: -0.4727777798091354
Energy: -0.9565633715555576
Energy: -0.4728998464758834
Energy: -0.9107532946447483
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Energy: -1.1676394139867752
Energy: -1.5365823332485982
Energy: -1.2984448880426425
Energy: -2.194744287796063
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Energy: -4.518680440591362
Energy: -4.0112655736222775
Energy: -3.635441345040974
Energy: -1.203307951138266
Energy: -1.1226286316543785
Energy: -1.9396062548106254
Energy: -1.0741578399397835
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Energy: -1.4993312580004197
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Energy: -1.647844847807365
Energy: -1.0254905018781477
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Energy: -1.789531208609493
Energy: -0.40779282285674434
Energy: -1.3179606047070938
Energy: -0.4077928262499775
Energy: -1.3673396857291038
Energy: -0.40779282560298136
Energy: -3.7792319856892442
Energy: -1.5113972385151504
Energy: -4.1123888762560386
Energy: -1.5117092895818875
Energy: -1.4404725507486036
Energy: -1.5111630234602755
Energy: -0.8445827057061108
Energy: -1.5293237557878079
Energy: -0.9194843461993122
Energy: -1.529323474209287
Energy: -0.845351466595975
Energy: -1.5293235427184506
Energy: -1.7035671752458659
Energy: -2.3463617773690175
Energy: -1.7035671747047776
Energy: -2.2753311540153924
Energy: -1.7035671751578316
Energy: -2.2399669312111246
Energy: -1.5625753000809823
Energy: -1.5236717804499205
Energy: -1.616682673051942
Energy: -1.5236719345236667
Energy: -1.6676384625677616
Energy: -1.5236718867018972

minimum gb energy = -4.518680440591362 eV
minimum distance =  2.39595441020221 Angstroms
sigma value = 11


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

Energy: -0.193894266880666
Energy: -0.5696798508320334
Energy: -0.1938942669255086
Energy: -0.5447019576440191
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Energy: -1.7394575667010637
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Energy: -2.774811815953013
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Energy: -1.7526920923648939
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Energy: -2.7052101735183585
Energy: -2.0552124727680985
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Energy: -2.309066446567169
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Energy: -2.3473103183972377
Energy: -1.7644216424790433
Energy: -2.3904539166161767
Energy: -1.4067157279698805
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Energy: -1.4796129342407451
Energy: -1.9471982759826822
Energy: -2.034641065194271
Energy: -1.923005958283655
Energy: -2.6954069723957956
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Energy: -2.5718944208683143
Energy: -2.6475756525217293
Energy: -2.2329454391106043
Energy: -2.3003087592560045
Energy: -2.1133311168683915
Energy: -2.7169842689078245
Energy: -1.5182651953957174
Energy: -3.1652122415481294
Energy: -4.107448589777723
Energy: -1.6234472724684426
Energy: -3.521011151793738
Energy: -2.5130333467496913
Energy: -2.257935026387666
Energy: -2.0990045881827455
Energy: -1.4922888868820479
Energy: -1.7082121807733033
Energy: -0.9526324631660356
Energy: -2.0382718843011136
Energy: -1.9863207455062561
Energy: -1.3603248186238113
Energy: -2.2060275471859665
Energy: -1.868441369515339
Energy: -1.7912105562452638
Energy: -1.562856224478051
Energy: -2.4737998934184975
Energy: -1.6061213964278358

minimum gb energy = -4.107448589777723 eV
minimum distance =  2.30023271649321 Angstroms
sigma value = 57


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

Energy: -0.657204462063686
Energy: -1.956492194151603
Energy: -0.6570391867903949
Energy: -1.7562167444338443
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Energy: -1.69307455785456
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Energy: -1.5251112700290228
Energy: 0.5199368071122396
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Energy: -0.9754735593875631
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Energy: -0.8474681075830984
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Energy: -1.6948718371403138
Energy: 0.519936807073316
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Energy: -0.8639106165864223
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Energy: -3.928556654350088
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Energy: -1.1226130517924355
Energy: -0.977212119381782
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Energy: -1.4895430153883966
Energy: -0.7889961158758574
Energy: -1.6599003137801238
Energy: -0.7911829853973508
Energy: -1.692523725330897
Energy: -0.8119832387298799
Energy: -1.6415135401556589
Energy: 0.5199368071890433
Energy: -0.9844205515711785
Energy: 0.5199368071381433
Energy: -1.135813081455995
Energy: 0.519936807182057
Energy: -0.9823482045126081
Energy: -0.7545824764466209
Energy: -1.2862185944786757
Energy: -0.8359358932369636
Energy: -1.6603250010056378
Energy: -0.825330444570478
Energy: -1.642543686449877

minimum gb energy = -3.928556654350088 eV
minimum distance =  2.37776362845695 Angstroms
sigma value = 9


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

Energy: -1.6861995423520968
Energy: -2.6957640102265588
Energy: -1.512875608635459
Energy: -2.1522645949212045
Energy: -1.6688226885997253
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Energy: -2.30185691442588
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Energy: -1.493604054167268
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Energy: -2.334675797859157
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Energy: -2.347678429202511
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Energy: -1.7656062962120236
Energy: -1.8114495327769462
Energy: -2.2206934027891894
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Energy: -1.773059983807948
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Energy: -2.2324293856535955
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Energy: -2.547576670135988
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Energy: -3.3426554678879508
Energy: -2.125223945374077
Energy: -3.421513363684059
Energy: -2.1707308384906363
Energy: -3.2214599253623972

minimum gb energy = -4.41447195821827 eV
minimum distance =  2.28145889298823 Angstroms
sigma value = 27


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

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Energy: -1.9594717952626202
Energy: -2.081156403706699
Energy: -2.08253129587993
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Energy: -1.253249981478623
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Energy: -2.1805007009287354
Energy: -1.2698014861416695
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Energy: -1.4685006420455287
Energy: -0.9464515517852397
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Energy: -1.6901698059286039
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Energy: -1.4260481594206096
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Energy: -2.702056227383288
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Energy: -1.5530662817395278
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Energy: -1.2295345415312064
Energy: -1.3960555778985837
Energy: -0.9608098999447683
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Energy: -1.4216200876150222
Energy: -1.8913343954823012
Energy: -1.98976393723911
Energy: -1.6342342122927014
Energy: -2.02281236460515
Energy: -1.7785452351369349
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Energy: -1.205190004427627
Energy: -2.266938258519019
Energy: -1.2203765477170119
Energy: -2.164876658035947
Energy: -1.494943848003831

minimum gb energy = -3.7307934573764197 eV
minimum distance =  2.29616232557582 Angstroms
sigma value = 19


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

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Energy: -1.8551140883723074
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Energy: -1.2884955228816457
Energy: -1.0186915476958434
Energy: -1.0238755451438204
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Energy: -1.345144678633809
Energy: -1.142174685669282
Energy: -1.2738097367268173
Energy: -1.114459702135881
Energy: -1.1496291752441725
Energy: -1.2267531688229039
Energy: -1.3613062132572349
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Energy: -0.9640904770160287
Energy: -1.285359587731799
Energy: -1.2522951607932853
Energy: -1.1817465897520436
Energy: -0.848402453768775
Energy: -1.3481729246353624
Energy: -1.2031234636102004
Energy: -1.4806563317838348
Energy: -0.9637950911322982
Energy: -1.60882384028936
Energy: -1.0812851945788564
Energy: -1.5548335936430655
Energy: -1.3292160303275444
Energy: -0.8810038655003658
Energy: -1.3563246871064547
Energy: -1.0945360295669924
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Energy: -1.2991876825814699
Energy: -1.2916468206054714
Energy: -1.3449751517458963
Energy: -1.298886540444077
Energy: -1.1792774813568843

minimum gb energy = -2.23150215586741 eV
minimum distance =  2.32658511000189 Angstroms
sigma value = 101


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

Energy: -1.2363121981130694
Energy: -3.104274878035305
Energy: -1.2109595411427632
Energy: -1.249110762492895
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Energy: -1.3882610137478164
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Energy: 0.7072575482206904
Energy: -1.3519271202980263
Energy: 0.7072575482191268
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Energy: -1.209873468306108
Energy: -1.5797770634469943
Energy: -1.445569580707529
Energy: -1.6083788555844163
Energy: -1.5325595256977307
Energy: -1.55778189822469
Energy: -3.6061223653642065
Energy: -3.721032146771335
Energy: -3.2288836836631556
Energy: -3.7953364932187648
Energy: -3.6881059587174767
Energy: -1.2613493387387749
Energy: -1.7889631512891064
Energy: -1.2611442457036723
Energy: -1.0680787756065404
Energy: -1.2022214735502348
Energy: -1.6935477258004659
Energy: -1.04155652365661
Energy: -1.3774669437479878
Energy: -1.0302020582253015
Energy: -1.301931174104615
Energy: -1.1222425756903738
Energy: -1.316636439856165

minimum gb energy = -4.262802989519069 eV
minimum distance =  2.28850347796186 Angstroms
sigma value = 33


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

Energy: 0.01706526359592159
Energy: 0.4535237753157662
Energy: 0.01706526359592159
Energy: 0.4535237753153572
Energy: 0.01706526359592159
Energy: 0.4535237753161992
Energy: 0.01775867196978786
Energy: 0.08238655015337903
Energy: 0.017758671970220914
Energy: 0.0823865501542211
Energy: 0.017758671969402923
Energy: 0.0823865501538121
Energy: 0.4546253544408587
Energy: -5.3401191857624655
Energy: 0.45461535609482673
Energy: -5.340119185762898
Energy: 0.4546125279551395
Energy: -5.3401191857624655
Energy: 0.01775867197108703
Energy: 0.08238655015337903
Energy: 0.01775867197147197
Energy: 0.08238655015337903
Energy: 0.01775867197108703
Energy: 0.08238655015297004

minimum gb energy = -5.340119185762898 eV
minimum distance =  2.55705287235944 Angstroms
sigma value = 1