Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264280667937
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.011735072971939636
Energy: 0.17653373238294723
Energy: 0.17653373238294723
Energy: 0.011735072971939636
Energy: 0.17653373238294723
Energy: 0.17653373238410194
Energy: 0.011735072971939636
Energy: 0.17653373238294723
Energy: 0.17653373238294723
Energy: 0.011735072971939636
Energy: 0.1760435556861969
Energy: 0.012323713381564332
Energy: 0.17669853589527343
Energy: 0.1760435556861969
Energy: 0.012323713382719051
Energy: 0.17669853589527343
Energy: 0.1760435556861969
Energy: 0.012323713381564332
Energy: 0.17669853589527343
Energy: 0.1760435556861969
Energy: 0.5995385484607282
Energy: 0.2636120747964993
Energy: 0.466084623517098
Energy: 0.6785757145359451
Energy: 0.09185961559565885
Energy: 0.10626425845904258
Energy: 0.39608577749527735
Energy: 0.012516189788364841
Energy: 0.10626425846019731
Energy: 0.396090640168444
Energy: 0.17604355568735164
Energy: 0.17669853589411869
Energy: 0.012323713381564332
Energy: 0.17604355568735164
Energy: 0.17669853589411869
Energy: 0.012323713381564332
Energy: 0.17604355568735164
Energy: 0.17669853589527343
Energy: 0.012323713382719051
Energy: 0.17604355568735164
Energy: 0.011735072973094354
Energy: 0.17653373238294723
Energy: 0.17653373238294723
Energy: 0.011735072973094354
Energy: 0.17653373238294723
Energy: 0.17653373238294723
Energy: 0.011735072973094354
Energy: 0.17653373238294723
Energy: 0.17653373238294723
Energy: 0.011735072973094354
Energy: 0.17604355568735164
Energy: 0.012323713381564332
Energy: 0.17669853589527343
Energy: 0.1760435556861969
Energy: 0.012323713381564332
Energy: 0.17669853589411869
Energy: 0.17604355568735164
Energy: 0.012323713381564332
Energy: 0.17669853589527343
Energy: 0.17604355568735164
Energy: 0.597502119832734
Energy: 0.3909838528372972
Energy: 0.27511284291015975
Energy: 0.5975021198315793
Energy: 0.17737537737043524
Energy: 0.10626425845904258
Energy: 0.3960979708795869
Energy: 0.2636120747964993
Energy: 0.10626425846019731
Energy: 0.39608111236204646

minimum gb energy = 0.011735072971939636 eV
minimum distance =  2.63377268670359 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.6492476155464394
Energy: 0.6492319163290968
Energy: 0.5167115144503066
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Energy: 0.6378279007654974
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Energy: 0.516711514449741
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Energy: 0.6492319163310767
Energy: 0.555776993087744
Energy: 0.649247615547005
Energy: 0.649231916330511
Energy: 0.516711514449741
Energy: 0.5799115533718666
Energy: 0.5374123778173361
Energy: 0.6378279007652146
Energy: 0.579911553301489
Energy: 0.5374123778167704
Energy: 0.637827900764649
Energy: 0.5799115533911001
Energy: 0.5374123778162047
Energy: 0.637827900766346
Energy: 0.579911553328051
Energy: 0.6486109868654797
Energy: 0.6794855571703259
Energy: 0.6609497397065186
Energy: 0.5729917192858099
Energy: 0.6794855571714572
Energy: 0.66094973970567
Energy: 0.6486109868643484
Energy: 0.6794855571717401
Energy: 0.6609497397070843
Energy: 0.5729917192860928
Energy: 0.6497320701128534
Energy: 0.5994743042683653
Energy: 0.5172057388368213
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Energy: 0.5994743042706282
Energy: 0.5172057388376698
Energy: 0.6497320701142677
Energy: 0.5994743042689311
Energy: 0.5172057388393669
Energy: 0.649732070113702

minimum gb energy = 0.4977143254145064 eV
minimum distance =  2.50975304591761 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.4933003839094889
Energy: 0.4936155948188241
Energy: 0.539983954522813
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minimum gb energy = 0.48899902752052465 eV
minimum distance =  2.50297787038786 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6433371645972482
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Energy: 0.6383031288896467
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Energy: 0.614858754718084
Energy: 0.631374896903893
Energy: 0.6323468605496908
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Energy: 0.6312484453945036
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Energy: 0.6313748968906442
Energy: 0.6323468605478223
Energy: 0.6148587547134131
Energy: 0.739574796603787
Energy: 0.6331314925995815
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Energy: 0.7395747966028529
Energy: 0.6326753761718963
Energy: 0.5905483625384831
Energy: 0.7395747966036454
Energy: 0.6331314925997513
Energy: 0.5905483625376905
Energy: 0.739574796603787
Energy: 0.6467058507026521
Energy: 0.6386476836789674
Energy: 0.5746189892542065
Energy: 0.6467058507026521
Energy: 0.6386476836791373
Energy: 0.5746189892557635
Energy: 0.6467058507037279
Energy: 0.6386476836799017
Energy: 0.5746189892551407
Energy: 0.6467058507032748
Energy: 0.6435362315403816
Energy: 0.6857373117306527
Energy: 0.6161451625392865
Energy: 0.6435362315400702
Energy: 0.6860372244115074
Energy: 0.6161451625386636
Energy: 0.6435362315410046
Energy: 0.6857373117301714
Energy: 0.6161451625395978
Energy: 0.6435362315406931
Energy: 0.6539644101756267
Energy: 0.630655693639581
Energy: 0.6236674053281532
Energy: 0.6536698254458677
Energy: 0.6424590518375911
Energy: 0.6236674054394377
Energy: 0.6621290421288518
Energy: 0.6306556936504802
Energy: 0.6236674053943124
Energy: 0.671966772859868
Energy: 0.6539481800687418
Energy: 0.5949715366413488
Energy: 0.6491026617101933
Energy: 0.6539481800687418
Energy: 0.5950718247413398
Energy: 0.6491026617106462
Energy: 0.6539481800686002
Energy: 0.5949715366410374
Energy: 0.6491026617090893
Energy: 0.6539481800679774

minimum gb energy = 0.5560127711134516 eV
minimum distance =  2.49997986097364 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.5956341027007507
Energy: 0.6210326112734491
Energy: 0.6574737659210768
Energy: 0.5732578143811795
Energy: 0.6210326112734491
Energy: 0.6574737658676479
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Energy: 0.6210326112745181
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Energy: 0.5732578143811795
Energy: 0.6817860120771158
Energy: 0.6770485617394217
Energy: 0.694603463953088
Energy: 0.6817860120781848
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Energy: 0.6817860120776504
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Energy: 0.6946034639536226
Energy: 0.6817860120771158
Energy: 0.6247291938702885
Energy: 0.6625661878687635
Energy: 0.581871670607662
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Energy: 0.6625661878933276
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Energy: 0.5818716706081967
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Energy: 0.7073812826728678
Energy: 0.7216506736784937
Energy: 0.5796418835175418
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Energy: 0.8026715888600944
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Energy: 0.67142291872055
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Energy: 0.6566398675889901
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Energy: 0.6552146370430637
Energy: 0.6276670571369549
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Energy: 0.6566398679084936
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Energy: 0.6106146398014008
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Energy: 0.7177739668682673
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Energy: 0.7491097848016073
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Energy: 0.7491097258386197
Energy: 0.7177739669099364
Energy: 0.5884700353810587
Energy: 0.6232763472308568
Energy: 0.616048964982319
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Energy: 0.6531080342593458
Energy: 0.6232857176081311
Energy: 0.6160489649807154
Energy: 0.6881129381024498
Energy: 0.6156133787647208
Energy: 0.6984966134909094
Energy: 0.5796787991876947
Energy: 0.6977565771674555
Energy: 0.6984966134909094
Energy: 0.5796787991866257
Energy: 0.697756577166921
Energy: 0.698496613491444
Energy: 0.5796787991876947
Energy: 0.6977565771674555
Energy: 0.6984966134909094
Energy: 0.6458755638732004
Energy: 0.5817176131667035
Energy: 0.6530974858051161
Energy: 0.6458755638726661
Energy: 0.5817176131677725
Energy: 0.6530974860434193
Energy: 0.6458755638726661
Energy: 0.581717613167238
Energy: 0.6530974863479561
Energy: 0.6458755638726661
Energy: 0.6560662899522206
Energy: 0.6658377508891722
Energy: 0.6881156046490228
Energy: 0.6560662899522206
Energy: 0.6658377508907757
Energy: 0.6881156046495572
Energy: 0.6560662899527551
Energy: 0.6658377508891722
Energy: 0.6881156046500918
Energy: 0.6560662899538241
Energy: 0.573257814380645
Energy: 0.6210326112729145
Energy: 0.6574737658510775
Energy: 0.5732578143817141
Energy: 0.6210326112729145
Energy: 0.6574737658062013
Energy: 0.5732578143801105
Energy: 0.6210326112729145
Energy: 0.6574737658580264
Energy: 0.5732578143817141

minimum gb energy = 0.5732578143801105 eV
minimum distance =  2.58518029036774 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.6546195905727245
Energy: 0.5988310078707607
Energy: 0.5742732609873334
Energy: 0.6260767295972245
Energy: 0.598831007869554
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Energy: 0.6564894438999718
Energy: 0.6224564629112525
Energy: 0.6162856705333827
Energy: 0.6295490141895113
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Energy: 0.6162856705331564
Energy: 0.6564894439020458
Energy: 0.6224564629102343
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Energy: 0.6086223914252431
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Energy: 0.6146394095575518
Energy: 0.6363438696731266
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Energy: 0.6146394095579667
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Energy: 0.5996193561891296
Energy: 0.5750352155953808
Energy: 0.6406510898295638
Energy: 0.5996193561883001
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Energy: 0.5750352157191382
Energy: 0.6406510898274898
Energy: 0.5996193561884886
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Energy: 0.6186282537190798
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Energy: 0.5337147642852109
Energy: 0.6198695925574997
Energy: 0.6033022040192202
Energy: 0.5337147642849848
Energy: 0.6186282531771796
Energy: 0.6084112920794341
Energy: 0.5337147642818927
Energy: 0.559957249207903
Energy: 0.5559317941996416
Energy: 0.5554777478769235
Energy: 0.5599572492058291
Energy: 0.5556862810250076
Energy: 0.5561417707665808
Energy: 0.5599572492095622
Energy: 0.555931794198812
Energy: 0.5554777478775645
Energy: 0.5599572492109951
Energy: 0.5406825370119193
Energy: 0.5645658484952308
Energy: 0.5557518683087429
Energy: 0.5406825370119193
Energy: 0.5643647298489424
Energy: 0.5557518730530376
Energy: 0.5406825370112783
Energy: 0.5645658484960604
Energy: 0.5557518770114619
Energy: 0.5406825370102601
Energy: 0.6248107916192347
Energy: 0.5551901326543359
Energy: 0.582982486592478
Energy: 0.6248107916194232
Energy: 0.5554762197666953
Energy: 0.5829824865922519
Energy: 0.624810791621912
Energy: 0.5551901326535064
Energy: 0.5829824865933075
Energy: 0.6248107916206675
Energy: 0.6530965816365781
Energy: 0.6103968457475887
Energy: 0.549347191726994
Energy: 0.6530965816351453
Energy: 0.6103968457469855
Energy: 0.5493471917259382
Energy: 0.6530965816359748
Energy: 0.6103968457482297
Energy: 0.5493471917242789
Energy: 0.6530965816365781

minimum gb energy = 0.5337147642818927 eV
minimum distance =  2.49771447351911 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.5704798295420984
Energy: 0.3404181484249376
Energy: 0.34108881035892535
Energy: 0.4437231434764721
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Energy: 0.46818640596739336
Energy: 0.4244107076869572
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Energy: 0.4681864011405905
Energy: 0.4445959664138556
Energy: 0.3488745858959558
Energy: 0.4681864052456412
Energy: 0.38964626846731304
Energy: 0.44218878185619226
Energy: 0.3410021832385519
Energy: 0.4012743446383114
Energy: 0.4586991414459069
Energy: 0.3410021832375672
Energy: 0.38964626846731304
Energy: 0.442188781857177
Energy: 0.34100218323805953
Energy: 0.40127434463954237
Energy: 0.45076887749802386
Energy: 0.4159255511098338
Energy: 0.33543904211381353
Energy: 0.4502880828356584
Energy: 0.41533277196525353
Energy: 0.33543904211332115
Energy: 0.45076887749679295
Energy: 0.4159255511113111
Energy: 0.3354390421123364
Energy: 0.45028808283442745
Energy: 0.4455889234838873
Energy: 0.5106583250100475
Energy: 0.3515787810554537
Energy: 0.431137403763939
Energy: 0.5106583250083241
Energy: 0.3515787810549614
Energy: 0.44558892348413354
Energy: 0.5106583250075856
Energy: 0.3515787810549614
Energy: 0.431137403763939

minimum gb energy = 0.3353445340672072 eV
minimum distance =  2.63335026040397 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.550943643710642
Energy: 0.5785368392775766
Energy: 0.5743179457505836
Energy: 0.5225173948321777
Energy: 0.5785368392789281
Energy: 0.574317945749232
Energy: 0.550943643710642
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Energy: 0.5642269062611661
Energy: 0.5306030440163306

minimum gb energy = 0.5031305083381264 eV
minimum distance =  2.49889408886862 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.7166390686261516
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Energy: 0.6221096725932771
Energy: 0.6239354746070076
Energy: 0.6921274730988238
Energy: 0.6221096725932771

minimum gb energy = 0.5888997383455693 eV
minimum distance =  2.574165832667 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 0.7131855833823214
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minimum gb energy = 0.620843602371861 eV
minimum distance =  2.5043764233822 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.6542342179080536
Energy: 0.6811202082838431
Energy: 0.7079949023442427
Energy: 0.6774599166142847
Energy: 0.6076826379831819
Energy: 0.7079949023440406
Energy: 0.677459916615497
Energy: 0.6076944584929109
Energy: 0.7079949023440406
Energy: 0.677459916615901
Energy: 0.6076826379847983
Energy: 0.7079949023442427
Energy: 0.6569526907885201
Energy: 0.6877467148289338
Energy: 0.6135933398244543
Energy: 0.6569526907875101
Energy: 0.6877467160932964
Energy: 0.6135933398230401
Energy: 0.6569526907893284
Energy: 0.6877467163107946
Energy: 0.6135933398226361
Energy: 0.656952690788116
Energy: 0.6159602578754251
Energy: 0.6170204846940728
Energy: 0.6076402886677164
Energy: 0.6159602578760311
Energy: 0.6170204846936688
Energy: 0.6076402886679184
Energy: 0.6159602578754251
Energy: 0.6170204846934666
Energy: 0.6076402886679184
Energy: 0.615960257875223
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Energy: 0.6596785760636628
Energy: 0.6254063435147261
Energy: 0.644442710616108
Energy: 0.6596785761032613
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Energy: 0.6584573881902478
Energy: 0.6596785761894746
Energy: 0.6254063435157362
Energy: 0.6444427106159059
Energy: 0.6275391703965025
Energy: 0.6837864848222036
Energy: 0.7230655923854289
Energy: 0.6159349095008283
Energy: 0.6837864848213954
Energy: 0.723065592386237
Energy: 0.6275391703973107
Energy: 0.6837864848199812
Energy: 0.7230655923854289
Energy: 0.6159349095004243
Energy: 0.6477136009895368
Energy: 0.6220309927554288
Energy: 0.68020006347296
Energy: 0.6477136009895368
Energy: 0.6220309927552269
Energy: 0.6802000654453583
Energy: 0.6477136009881225
Energy: 0.6220309927554288
Energy: 0.6802000671332015
Energy: 0.6477136009865062
Energy: 0.6265318636668019
Energy: 0.6078405392180969
Energy: 0.6262614349349321
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Energy: 0.6078774827936579
Energy: 0.6262614349361444
Energy: 0.626531863667206
Energy: 0.6078405392172889
Energy: 0.6262614349351343
Energy: 0.6265318636668019
Energy: 0.6601419815681493
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Energy: 0.7000902868028411
Energy: 0.6601419815683514
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Energy: 0.7000902868046593
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Energy: 0.6128915810729018
Energy: 0.7000902868028411
Energy: 0.6601419815685533
Energy: 0.695421797552881
Energy: 0.6121861802772881
Energy: 0.6625767283620329
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Energy: 0.6121861802762779
Energy: 0.6625767283614268
Energy: 0.695421797552679
Energy: 0.612186180276682
Energy: 0.6625767283626391
Energy: 0.6954217975540933
Energy: 0.6781317321208015
Energy: 0.6545234136420257
Energy: 0.6613434542011554
Energy: 0.67813174166931
Energy: 0.6545234136420257
Energy: 0.6614512033286065
Energy: 0.6781317088035608
Energy: 0.6545234136410155
Energy: 0.6613434542001452
Energy: 0.6781316858813141
Energy: 0.6032459433381081
Energy: 0.6026940590473332
Energy: 0.6187688825798852
Energy: 0.6032459433397244
Energy: 0.6026940590471311
Energy: 0.6187688825798852
Energy: 0.6032459433413406
Energy: 0.6026940590477373
Energy: 0.6187688825796833
Energy: 0.6032459433415427
Energy: 0.6758396546158344
Energy: 0.650990688775569
Energy: 0.6511619671274832
Energy: 0.6758396546156324
Energy: 0.6351463946272917
Energy: 0.6351205628840059
Energy: 0.6758396546154304
Energy: 0.6509906887765792
Energy: 0.6511619671284935
Energy: 0.6758396546156324
Energy: 0.6238158841092055
Energy: 0.6325340957804789
Energy: 0.6310383448456941
Energy: 0.6238158841090035
Energy: 0.6325340952519776
Energy: 0.6310383448438758
Energy: 0.6238158841098116
Energy: 0.6325340967249673
Energy: 0.6310383448438758
Energy: 0.6238158841092055
Energy: 0.6811202283968503
Energy: 0.6617017615825547
Energy: 0.6542342179080536
Energy: 0.681120235349173
Energy: 0.6617017615823527
Energy: 0.6542342179078515
Energy: 0.6811202377020188
Energy: 0.6617017615819487
Energy: 0.6542342179082556
Energy: 0.6811202145824773
Energy: 0.7079949023446467
Energy: 0.6774599166144867
Energy: 0.6078170857870827
Energy: 0.7079949023444446
Energy: 0.677459916615497
Energy: 0.6074447206549717
Energy: 0.7079949023444446
Energy: 0.677459916615497
Energy: 0.6078170857868807
Energy: 0.7079949023454549
Energy: 0.6569526907869039
Energy: 0.6877467166391542
Energy: 0.6135933398244543
Energy: 0.6569526907879141
Energy: 0.6877467157962336
Energy: 0.6135933398232422
Energy: 0.6569526907864998
Energy: 0.6877467159291166
Energy: 0.613593339822838
Energy: 0.6569526907885201

minimum gb energy = 0.602694059045919 eV
minimum distance =  2.50617409416215 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5943637011544496
Energy: 0.5945158952881356
Energy: 0.5943845000537853
Energy: 0.5943637011548147
Energy: 0.5945158952885008
Energy: 0.5943845000534203
Energy: 0.5943637011548147
Energy: 0.5945158952881356
Energy: 0.5943845000541506
Energy: 0.5943637011548147
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.610415142933555
Energy: 0.6099901782420346
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782420346
Energy: 0.5942399171823952
Energy: 0.5943273419562247
Energy: 0.6582702152272373
Energy: 0.5942399171827605
Energy: 0.5943273419554943
Energy: 0.658270215207519
Energy: 0.5942399171823952
Energy: 0.5943273419562247
Energy: 0.6582702153093637
Energy: 0.5942399171827605
Energy: 0.6582371689208107
Energy: 0.59418385784202
Energy: 0.5942444566813947
Energy: 0.6582371689244623
Energy: 0.59418385784202
Energy: 0.5942444566810295
Energy: 0.6582371689200803
Energy: 0.59418385784202
Energy: 0.5942444566810295
Energy: 0.6582371689189849
Energy: 0.6104016896734284
Energy: 0.5945684090333224
Energy: 0.6101011741524365
Energy: 0.6104016896737935
Energy: 0.5945684090340527
Energy: 0.6101011741528017
Energy: 0.6104016896734284
Energy: 0.5945684090333224
Energy: 0.6101011741524365
Energy: 0.6104016896737935
Energy: 0.5945158952885008
Energy: 0.5943845000534203
Energy: 0.5943637011548147
Energy: 0.5945158952881356
Energy: 0.5943845000541506
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Energy: 0.5945158952885008
Energy: 0.5943845000537853
Energy: 0.5943637011544496
Energy: 0.5945158952881356
Energy: 0.5946468236393054
Energy: 0.610415142933555
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782420346
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.5943273419554943
Energy: 0.6582702152943923
Energy: 0.5942399171823952
Energy: 0.5943273419558596
Energy: 0.6582702152772467
Energy: 0.5942399171827605
Energy: 0.5943273419554943
Energy: 0.6582702152316191
Energy: 0.5942399171823952
Energy: 0.5943273419558596
Energy: 0.59418385784202
Energy: 0.5942444566810295
Energy: 0.6582371689208107
Energy: 0.59418385784202
Energy: 0.5942444566817597
Energy: 0.6582371689197153
Energy: 0.59418385784202
Energy: 0.5942444566810295
Energy: 0.6582371689211759
Energy: 0.59418385784202
Energy: 0.5945684090340527
Energy: 0.6101011741528017
Energy: 0.6104016896734284
Energy: 0.5945684090333224
Energy: 0.6101011741524365
Energy: 0.6104016896737935
Energy: 0.5945684090336876
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Energy: 0.6104016896737935
Energy: 0.5945684090333224
Energy: 0.5943845000537853
Energy: 0.5943637011544496
Energy: 0.594515895288866
Energy: 0.5943845000537853
Energy: 0.5943637011548147
Energy: 0.5945158952881356
Energy: 0.5943845000537853
Energy: 0.5943637011548147
Energy: 0.5945158952885008
Energy: 0.5943845000537853
Energy: 0.6104151429339203
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782420346
Energy: 0.5946468236396706
Energy: 0.6104151429339203
Energy: 0.6582702151885476
Energy: 0.5942399171827605
Energy: 0.5943273419558596
Energy: 0.6582702151845309
Energy: 0.5942399171823952
Energy: 0.5943273419562247
Energy: 0.6582702151746717
Energy: 0.5942399171827605
Energy: 0.5943273419558596
Energy: 0.6582702151746717
Energy: 0.5942444566810295
Energy: 0.6582371689200803
Energy: 0.59418385784202
Energy: 0.5942444566810295
Energy: 0.6582371689200803
Energy: 0.59418385784202
Energy: 0.5942444566813947
Energy: 0.6582371689197153
Energy: 0.59418385784202
Energy: 0.5942444566810295
Energy: 0.6101011741524365
Energy: 0.6104016896737935
Energy: 0.5945684090336876
Energy: 0.6101011741528017
Energy: 0.6104016896734284
Energy: 0.5945684090333224
Energy: 0.6101011741524365
Energy: 0.6104016896737935
Energy: 0.5945684090336876
Energy: 0.6101011741528017
Energy: 0.5943637011548147
Energy: 0.5945158952881356
Energy: 0.5943845000537853
Energy: 0.5943637011548147
Energy: 0.594515895288866
Energy: 0.5943845000534203
Energy: 0.5943637011548147
Energy: 0.5945158952881356
Energy: 0.5943845000534203
Energy: 0.5943637011544496
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.610415142933555
Energy: 0.6099901782420346
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782420346
Energy: 0.5942399171823952
Energy: 0.5943273419558596
Energy: 0.6582702151757672
Energy: 0.5942399171827605
Energy: 0.5943273419554943
Energy: 0.6582702151995021
Energy: 0.5942399171823952
Energy: 0.5943273419562247
Energy: 0.6582702152024233
Energy: 0.5942399171827605
Energy: 0.6582371689248274
Energy: 0.59418385784202
Energy: 0.5942444566813947
Energy: 0.6582371689233667
Energy: 0.59418385784202
Energy: 0.5942444566806645
Energy: 0.6582371689248274
Energy: 0.59418385784202
Energy: 0.5942444566817597
Energy: 0.6582371689189849
Energy: 0.6104016896734284
Energy: 0.5945684090333224
Energy: 0.6101011741524365
Energy: 0.6104016896737935
Energy: 0.5945684090336876
Energy: 0.6101011741528017
Energy: 0.6104016896737935
Energy: 0.5945684090333224
Energy: 0.6101011741528017
Energy: 0.6104016896737935
Energy: 0.5945158952885008
Energy: 0.5943845000534203
Energy: 0.5943637011548147
Energy: 0.5945158952881356
Energy: 0.5943845000534203
Energy: 0.5943637011544496
Energy: 0.5945158952885008
Energy: 0.5943845000537853
Energy: 0.5943637011544496
Energy: 0.5945158952881356
Energy: 0.5946468236396706
Energy: 0.6104151429339203
Energy: 0.6099901782423996
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782420346
Energy: 0.5946468236393054
Energy: 0.6104151429339203
Energy: 0.6099901782423996
Energy: 0.5946468236393054

minimum gb energy = 0.59418385784202 eV
minimum distance =  2.59985834452279 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.6383117393386715
Energy: 0.6783612006699251
Energy: 0.6433583143108114
Energy: 0.6200335224246754
Energy: 0.6783610840590241
Energy: 0.6433870322286365
Energy: 0.6383117393403267
Energy: 0.6783612999797525
Energy: 0.6437811703134246
Energy: 0.6200335224246754
Energy: 0.6926974268425663
Energy: 0.6106016345495394
Energy: 0.5960344071445577
Energy: 0.6926974268326649
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Energy: 0.5960344071478683
Energy: 0.6926974268161126
Energy: 0.6106016345495394
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Energy: 0.6926974268392558
Energy: 0.6249824730438934
Energy: 0.6302646138483475
Energy: 0.7627157611000558
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Energy: 0.6249824730405831
Energy: 0.5971630941709216
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Energy: 0.5974208941271304
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Energy: 0.6585375397789095
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Energy: 0.64595819945024
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Energy: 0.7318608959691856
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Energy: 0.6585500575047529
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Energy: 0.6302600342622537
Energy: 0.599527313684248
Energy: 0.6421870688948699
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Energy: 0.6111317453893682
Energy: 0.6235093684316332
Energy: 0.6571883812256722
Energy: 0.611131745387713
Energy: 0.6235093684316332
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Energy: 0.6111317453893682
Energy: 0.6235093684332884
Energy: 0.6571883812256722
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Energy: 0.6112375726982142
Energy: 0.6241379871501527
Energy: 0.6533702126542738
Energy: 0.6110702990057979
Energy: 0.6241379872097111
Energy: 0.6496247529002777
Energy: 0.6112375726982142
Energy: 0.6241379872146768
Energy: 0.6533702126526184
Energy: 0.6110702990074531
Energy: 0.6435742659694249
Energy: 0.5946419629345447
Energy: 0.6366250402197013
Energy: 0.6435742659743907
Energy: 0.5946419629345447
Energy: 0.6366250402213567
Energy: 0.6435742659727354
Energy: 0.5946419629345447
Energy: 0.6366250402246671
Energy: 0.6435742659727354
Energy: 0.7002958865160908
Energy: 0.604143957985881
Energy: 0.7000436145029652
Energy: 0.7002958865160908
Energy: 0.6041439579825706
Energy: 0.7000436145013099
Energy: 0.7002958865144356
Energy: 0.6041439579842258
Energy: 0.7000436144996548
Energy: 0.7002958865177461
Energy: 0.7462040884023219
Energy: 0.6000224391316009
Energy: 0.6462308137659202
Energy: 0.7386276548786639
Energy: 0.600000922309688
Energy: 0.6462308135094789
Energy: 0.7462040884023219
Energy: 0.6000224391332561
Energy: 0.6462308167158827
Energy: 0.7386276548770087
Energy: 0.6024865805566034
Energy: 0.6007115480286231
Energy: 0.6175578774638185
Energy: 0.6024865796714431
Energy: 0.6007115480253126
Energy: 0.6175578774654737
Energy: 0.6024865791800786
Energy: 0.6007115480236574
Energy: 0.6175578774638185
Energy: 0.6024865796052638
Energy: 0.6630273585453166
Energy: 0.6668584660979654
Energy: 0.6098284467307954
Energy: 0.6630273585436613
Energy: 0.6668584660929997
Energy: 0.609744726102293
Energy: 0.6630273585469718
Energy: 0.6668584660946549
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Energy: 0.6010730854186833
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Energy: 0.5993988529246436
Energy: 0.6383445567111729
Energy: 0.6561045881456112
Energy: 0.6227854290222249
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Energy: 0.6227854290205697
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Energy: 0.6200387134864079
Energy: 0.6384534701664052
Energy: 0.695989648734656
Energy: 0.6816350760062404
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Energy: 0.695989648742902
Energy: 0.6634023047401645
Energy: 0.6384534701680604
Energy: 0.695989648734656
Energy: 0.6816350760062404
Energy: 0.6200695833434043
Energy: 0.5970477057928035
Energy: 0.7076898105427943
Energy: 0.602877890257615
Energy: 0.5970477057928035
Energy: 0.7076898105427943
Energy: 0.6029032813498691
Energy: 0.5970477057928035
Energy: 0.7076898105427943
Energy: 0.6028796139091221
Energy: 0.5970477057928035
Energy: 0.7246364300307901
Energy: 0.6104785669923716
Energy: 0.6030123936414717
Energy: 0.7246364300291348
Energy: 0.6104785669923716
Energy: 0.6030123935819133
Energy: 0.7246364300291348
Energy: 0.6104785669907162
Energy: 0.6030123927794547
Energy: 0.7246364300291348
Energy: 0.6031593541635566
Energy: 0.6998661445085999
Energy: 0.6062741075834365
Energy: 0.6031593541652119
Energy: 0.6998661445085999
Energy: 0.5978111919973464
Energy: 0.6031593541652119
Energy: 0.6998661445085999
Energy: 0.6062741075834365
Energy: 0.6031593541635566
Energy: 0.6794175649984072
Energy: 0.706304024666196
Energy: 0.6001401145429147
Energy: 0.6794175650182701
Energy: 0.7063040245801839
Energy: 0.60014011454457
Energy: 0.6794175650149596
Energy: 0.7063040246082928
Energy: 0.6001401145429147
Energy: 0.6794175650199253
Energy: 0.6643375887448656
Energy: 0.6644539695351463
Energy: 0.6027938851904703
Energy: 0.6643375887432103
Energy: 0.6644539695351463
Energy: 0.6027938851921254
Energy: 0.6643375887432103
Energy: 0.6644539695368016
Energy: 0.6027938851937806
Energy: 0.6643375887448656
Energy: 0.6670447669744773
Energy: 0.6506237611353929
Energy: 0.6307857332588316
Energy: 0.6670447669744773
Energy: 0.6506237619593395
Energy: 0.6307857332571762
Energy: 0.6670447669761325
Energy: 0.6506237637991198
Energy: 0.6307857332588316
Energy: 0.6670447669744773
Energy: 0.6117994616617791
Energy: 0.6603822194015829
Energy: 0.6242250136492328
Energy: 0.6117994616617791
Energy: 0.6603822194015829
Energy: 0.6242250136161279
Energy: 0.6117994616617791
Energy: 0.6603822194015829
Energy: 0.624225013637646
Energy: 0.6117994616617791
Energy: 0.6464810179332028
Energy: 0.6211883633801399
Energy: 0.620889294233313
Energy: 0.6464821959416795
Energy: 0.6211651341887519
Energy: 0.620878717700904
Energy: 0.6464812941191669
Energy: 0.6211883633817951
Energy: 0.6208892942366235
Energy: 0.6464810525685456
Energy: 0.6671194574587963
Energy: 0.5965040090061892
Energy: 0.6357038914140445
Energy: 0.6671194574587963
Energy: 0.5965040283274642
Energy: 0.6357038914140445
Energy: 0.6671194574621068
Energy: 0.5965039560389818
Energy: 0.6357038914123893
Energy: 0.6671194574604516
Energy: 0.6308066689805313
Energy: 0.671950308845888
Energy: 0.6303586108512267
Energy: 0.6308066689821864
Energy: 0.6719503087515696
Energy: 0.6303586108495715
Energy: 0.6308066689805313
Energy: 0.6719503085397897
Energy: 0.6303586108495715
Energy: 0.6308066689805313
Energy: 0.6436561492748581
Energy: 0.6008221860155872
Energy: 0.707897519587973
Energy: 0.6436562063799762
Energy: 0.600811153825155
Energy: 0.7078975195896282
Energy: 0.64365617108284
Energy: 0.6008221860122769
Energy: 0.7078975195912833
Energy: 0.6436562322729315
Energy: 0.6029212206379185
Energy: 0.6047273886479686
Energy: 0.6472416339045037
Energy: 0.6029212206412289
Energy: 0.6047274072429257
Energy: 0.647240243841871
Energy: 0.6029212206379185
Energy: 0.6047274082902089
Energy: 0.6472426503624679
Energy: 0.6029212206395737
Energy: 0.6806546339926158
Energy: 0.6309065645126428
Energy: 0.6101462342125803
Energy: 0.6806546339926158
Energy: 0.6309065645126428
Energy: 0.6101676490807716
Energy: 0.6806546339942711
Energy: 0.6309065645126428
Energy: 0.6101462342142356
Energy: 0.6806546339909606
Energy: 0.5976192460269721
Energy: 0.5920318112071296
Energy: 0.6060723109802347
Energy: 0.5976192460269721
Energy: 0.5920318112071296
Energy: 0.606072342362827
Energy: 0.5976192460285973
Energy: 0.5920318112071296
Energy: 0.606072366326619
Energy: 0.5976192460269721
Energy: 0.6205313011325034
Energy: 0.6685146977867596
Energy: 0.6842680513739189
Energy: 0.6019240579023799
Energy: 0.6685146977851044
Energy: 0.6842659972671109
Energy: 0.6205313011325034
Energy: 0.6685146977900702
Energy: 0.6842673703876454
Energy: 0.6019240579056603

minimum gb energy = 0.5920318112071296 eV
minimum distance =  2.53299534715393 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.5780237953414384
Energy: 0.6274638625806997
Energy: 0.627150901090029
Energy: 0.5780237953402324
Energy: 0.6274638625794937
Energy: 0.627150901090029
Energy: 0.5780237953408354
Energy: 0.6274638625806997
Energy: 0.627150901090029
Energy: 0.5780237953402324
Energy: 0.6682001621630594
Energy: 0.5722028422875477
Energy: 0.6596998330928447
Energy: 0.6682001621618533
Energy: 0.5722028422875477
Energy: 0.6596998330916388
Energy: 0.6682001621636625
Energy: 0.5722028422875477
Energy: 0.6596998330928447
Energy: 0.6682001621618533
Energy: 0.6707453472301014
Energy: 0.5622356619808715
Energy: 0.6333352749977947
Energy: 0.6707453472294984
Energy: 0.5622356619802684
Energy: 0.6333327547976145
Energy: 0.6707453472301014
Energy: 0.5622356619808715
Energy: 0.6333327681615096
Energy: 0.6707453472294984
Energy: 0.6440999047881527
Energy: 0.6900791582078905
Energy: 0.6184379883508614
Energy: 0.6440999047881527
Energy: 0.6900791582072875
Energy: 0.6184379883502584
Energy: 0.6440999047887558
Energy: 0.6900791582078905
Energy: 0.6184379883514645
Energy: 0.6440999047881527
Energy: 0.6487686514944193
Energy: 0.5825711545048324
Energy: 0.7915541350664582
Energy: 0.6487686514938162
Energy: 0.5825711545048324
Energy: 0.7915541350670611
Energy: 0.6487686514950223
Energy: 0.5825711545042294
Energy: 0.7915541350670611
Energy: 0.6487686514950223
Energy: 0.6481231966505985
Energy: 0.6901037600256978
Energy: 0.572985997250987
Energy: 0.6481231966518046
Energy: 0.6901037600263009
Energy: 0.5729859972515902
Energy: 0.6481231966505985
Energy: 0.6901037600244918
Energy: 0.572985997250987
Energy: 0.6481231966524077
Energy: 0.6523324692327581
Energy: 0.5884145625761847
Energy: 0.5622871587254255
Energy: 0.6879393087388608
Energy: 0.5884145625767877
Energy: 0.5622871587254255
Energy: 0.7067419450552143
Energy: 0.5884145625761847
Energy: 0.5622871587254255
Energy: 0.7067419450564203
Energy: 0.6297352210823117
Energy: 0.701033080215795
Energy: 0.6242932104903433
Energy: 0.6297352210823117
Energy: 0.701033080215795
Energy: 0.6242932104915493
Energy: 0.6297352210823117
Energy: 0.701033080215795
Energy: 0.6242932104909462
Energy: 0.6297352210823117
Energy: 0.6547552772894069
Energy: 0.659951826633971
Energy: 0.5820622574850584
Energy: 0.6547552772900099
Energy: 0.659951826634574
Energy: 0.5820622574856615
Energy: 0.6547552772894069
Energy: 0.659951826633971
Energy: 0.5820622574850584
Energy: 0.6547552772894069
Energy: 0.6275983207394692
Energy: 0.6634698472155022
Energy: 0.6527717687050494
Energy: 0.6275983207394692
Energy: 0.6634698472161052
Energy: 0.6548026839938296
Energy: 0.6275983207388662
Energy: 0.6634698472155022
Energy: 0.6524607837166253
Energy: 0.6275983207394692
Energy: 0.5648913638679004
Energy: 0.5643064153191132
Energy: 0.6128890351411684
Energy: 0.5648913638679004
Energy: 0.5643064153191132
Energy: 0.6128890351417714
Energy: 0.5648913638709155
Energy: 0.5643064153191132
Energy: 0.6128890351417714
Energy: 0.5648913638672973
Energy: 0.6463321322570662
Energy: 0.5745248111981276
Energy: 0.5686494969933376
Energy: 0.6463321322570662
Energy: 0.5745248111975246
Energy: 0.5687591141683355
Energy: 0.6463321322570662
Energy: 0.5745248111981276
Energy: 0.5688834817438391
Energy: 0.6463321322564631
Energy: 0.581844873229886
Energy: 0.6162062845074779
Energy: 0.5819017411011238
Energy: 0.581844873229886
Energy: 0.6162062845074779
Energy: 0.5819017411011238
Energy: 0.581844873229886
Energy: 0.6162062845068749
Energy: 0.5819017411005208
Energy: 0.581844873229886
Energy: 0.5782458112981006
Energy: 0.6058363344678744
Energy: 0.6239852304527248
Energy: 0.5782458112981006
Energy: 0.6058363344684774
Energy: 0.6239852304545338
Energy: 0.5782458112981006
Energy: 0.6058363344678744
Energy: 0.6239852304521217
Energy: 0.5782458112981006

minimum gb energy = 0.5622356619802684 eV
minimum distance =  2.54479546937257 Angstroms
sigma value = 33