Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
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=3.658403038978577
cohesive_energy=3.8927084030558796
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: 0.014678248057344252
Energy: 1.0858448452362073
Energy: 0.014678248057344252
Energy: 1.0858448452388951
Energy: 0.014678248057650462
Energy: 1.0858448452403922
Energy: 1.0858448452380105
Energy: 0.8017781429764105
Energy: 1.085844845237092
Energy: 0.9367045737290769
Energy: 1.085844845240086
Energy: 0.9367045737293832
Energy: 0.014678248057344252
Energy: 1.0858448452355949
Energy: 0.014678248057344252
Energy: 1.0858448452362073
Energy: 0.014678248057650462
Energy: 1.085844845237092
Energy: 1.085844845235901
Energy: 0.9367045737287708
Energy: 1.0858448452362073
Energy: 0.9367045737302678
Energy: 1.0858448452403922
Energy: 0.9367045737302678
Energy: 0.014678248057650462
Energy: 1.0858448452398137
Energy: 0.014678248057650462
Energy: 1.0858448452392013
Energy: 0.014678248057650462
Energy: 1.0858448452413108
Energy: 1.0858448452403922
Energy: 0.9367045737314587
Energy: 1.0858448452403922
Energy: 0.9367045737311865
Energy: 1.0858448452403922
Energy: 0.9367045737302678

minimum gb energy = 0.014678248057344252 eV
minimum distance =  2.44240330005529 Angstroms
sigma value = 1


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

Energy: -3.224462973314971
Energy: -2.7725624355104066
Energy: -2.4455888151015315
Energy: -3.0450555666397956
Energy: -2.528848694782549
Energy: -3.045566589080346
Energy: -2.5855851133478085
Energy: 0.3373127164383152
Energy: -2.2000224809357154
Energy: -3.0688982787453374
Energy: -2.1188271660386166
Energy: -3.0648244732716257
Energy: -2.7221887566790914
Energy: 0.6301788844867067
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Energy: -2.3872052896949514
Energy: 0.5022680902209204
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Energy: -3.271769333576873
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Energy: 0.5775328796131652
Energy: -4.02762279646074
Energy: 0.5775328775023474
Energy: -2.7505215195387676
Energy: 0.5775328735260279
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Energy: 0.6436151603351169
Energy: -2.4960317708614146
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Energy: 0.6716769571743012
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Energy: 0.6716766319262913
Energy: 0.5901121367231725
Energy: 0.6716762140741137
Energy: 0.5336561101474615
Energy: 0.7894376599171289
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Energy: -2.8758576750435316
Energy: 0.3857533945710563
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Energy: 0.5687626812488965
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Energy: -2.368073921468582
Energy: 0.8048633117704218
Energy: -2.4298485136436976
Energy: 0.6277356988162908
Energy: -2.768384498025843
Energy: 0.6277356967135809
Energy: -3.516784645356607
Energy: 0.6277356880352791
Energy: -4.88535956278525
Energy: 0.6304913745954605
Energy: 0.5402145224502587
Energy: 0.6304913745468126
Energy: 0.5402145223721609
Energy: 0.6304913743921248
Energy: 0.5402145222292329
Energy: -3.8293540465783824
Energy: 0.5308192150583378
Energy: -2.8961000925846045
Energy: 0.5308192149905592
Energy: -2.5500519054311064
Energy: 0.5308192148792925
Energy: -3.872258360715745
Energy: 0.5454766371506324
Energy: -3.3688209155520603
Energy: 0.545476637138102
Energy: -4.234135943811845
Energy: 0.5454766371329423
Energy: 0.4656649444497074
Energy: -2.585972945345276
Energy: 0.4656649444497074
Energy: -2.57535231572284
Energy: 0.4656649444519187
Energy: -2.6042749164554055
Energy: -2.867875783946618
Energy: -3.6182515658097674
Energy: -2.553568353542732
Energy: -2.670891157804379
Energy: -2.5512654906558563
Energy: -2.687813939533422
Energy: -2.9342228054491843
Energy: -2.7238724899121713
Energy: -2.8473794557929972
Energy: -2.9992588542075027
Energy: -2.854800694596807
Energy: -2.86928328604675

minimum gb energy = -5.806847132863071 eV
minimum distance =  2.30701991280236 Angstroms
sigma value = 33


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

Energy: 0.7051830707222811
Energy: -1.8797238347563456
Energy: 0.7051825484994123
Energy: -1.8237393857425064
Energy: 0.7051801317603159
Energy: -1.9230035592817771
Energy: 0.7080863565229014
Energy: 0.5924713969607253
Energy: 0.7080863565505722
Energy: 0.5924713969619829
Energy: 0.7080863555879676
Energy: 0.5924713969611445
Energy: 0.42962707095279823
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Energy: -2.090388427736829
Energy: 0.39246461556701107
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Energy: -1.7387010870129431
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Energy: 0.9253384388925806
Energy: 0.3569213424123875
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Energy: -1.964094597869948
Energy: 0.4318618883977449
Energy: -2.4129375590702233
Energy: 0.43186188839481016
Energy: -3.4404893210546854
Energy: 0.43186188839313316
Energy: -2.255214451951775
Energy: -3.801530094503629
Energy: -2.556522503727971
Energy: -3.939511941798839
Energy: -1.902778946178746
Energy: -3.386738470865018
Energy: 0.43259151898265075
Energy: 0.5940475703582915
Energy: 0.43259151898097375
Energy: 0.5940475703553567
Energy: 0.4325915189776197
Energy: 0.5940475703515835
Energy: 0.650080989510658
Energy: -2.1757503912957086
Energy: 0.649768925378981
Energy: -2.161338481743091
Energy: -1.941100196219104
Energy: -2.175287900136145
Energy: -1.8730009999850854
Energy: -1.9278897752976583
Energy: -2.150216105657581
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Energy: -1.8742968226489476
Energy: -2.1470821423298108
Energy: -2.027963007162031
Energy: 0.39031364323367407
Energy: -2.8006124265346237
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Energy: -2.1570332049808583
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Energy: 0.43895770127435285
Energy: 0.4264875471093628
Energy: 0.43895770127812617
Energy: 0.42648754711062054
Energy: 0.43895770127519135

minimum gb energy = -4.069665844748216 eV
minimum distance =  2.3367007998165 Angstroms
sigma value = 51


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

Energy: 0.7106216330406868
Energy: 0.659074312950917
Energy: 0.710621633043601
Energy: 0.6590741093654146
Energy: 0.7106216330416582
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Energy: -1.586359618675131
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Energy: -1.6562714451752305
Energy: -1.919842118349161
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Energy: 0.6377015616391746
Energy: -1.7667901865396258
Energy: -1.7898908421787045
Energy: -1.762559294773993
Energy: -1.6058040865076206
Energy: -1.8090548465439382
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Energy: 0.6310320833178462
Energy: -1.8085422474149497
Energy: 0.6310311923341567
Energy: -1.7009486425010805
Energy: 0.6310301620121658

minimum gb energy = -1.9436891672562508 eV
minimum distance =  2.34563680620697 Angstroms
sigma value = 19


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

Energy: 0.5164160472671399
Energy: 0.24285208528054572
Energy: 0.5164160472671399
Energy: 0.24285208528112193
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Energy: 0.536444783597773
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Energy: -1.4082557453817879
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Energy: -1.399726984664244
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Energy: -1.3310649024865844
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Energy: 0.7414692664222909
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Energy: 0.7415689685304355
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Energy: 0.2424311153370542
Energy: -1.2741976203659668
Energy: 0.24243111533129214
Energy: -1.366255901950901

minimum gb energy = -1.5643039092931552 eV
minimum distance =  2.30277545274522 Angstroms
sigma value = 27


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

Energy: 0.43406407599751656
Energy: 0.26211908146474566
Energy: 0.43406407599751656
Energy: 0.26211908146333424
Energy: 0.43406407599751656
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Energy: -1.6924806894181212
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Energy: -1.7884649183669799
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Energy: -1.7299252876162592
Energy: 0.03415090092309193
Energy: 0.158970925516876
Energy: 0.5812555294084158
Energy: 0.15897092551405315
Energy: 0.5812555294112387
Energy: 0.15897092551123032
Energy: 0.5812555294098272
Energy: -0.797063709016336
Energy: 0.24285499711111846
Energy: -0.612686906267239
Energy: 0.24285499711955488
Energy: -0.7098020059434045
Energy: 0.24285499711955488
Energy: -0.5565925899679388
Energy: 0.23586796482033198
Energy: -0.889398724994625
Energy: 0.23586796482597766
Energy: -0.859716302322463
Energy: 0.2358679648231548
Energy: -0.048240311855812616
Energy: 0.7264591403964806
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Energy: -0.2148725364817513
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Energy: -0.4115748815386626
Energy: 0.03570498461865706
Energy: -0.4392451145929602
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Energy: -0.42043934342203354
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Energy: 0.4360415372171262
Energy: 0.25164697899492716
Energy: 0.4360415372171262
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Energy: 0.4360415372157148
Energy: 0.25164697899351574
Energy: -0.41282419311104457
Energy: 0.15722892800554805
Energy: -0.45456183621049384
Energy: 0.15722892800272523
Energy: -2.2698172761789928
Energy: 0.15722892800695948
Energy: 0.28270940383446036
Energy: -1.059431357088689
Energy: 0.28270940383446036
Energy: -1.1787415775151346
Energy: 0.28270940383446036
Energy: -1.2083080826863897
Energy: 0.23561518052817343
Energy: 0.2460813125079379
Energy: 0.23561518053099625
Energy: 0.24608131250934934
Energy: 0.23561518053099625
Energy: 0.2460813125051151
Energy: -0.7566785443762896
Energy: -1.8600454099929802
Energy: -0.7281591218889312
Energy: 0.04273165622465211
Energy: -0.6316411607394562
Energy: -0.10568212903494215

minimum gb energy = -2.2698172761789928 eV
minimum distance =  2.34286935418638 Angstroms
sigma value = 9


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

Energy: 0.6046660154368289
Energy: -5.721930366083196
Energy: 0.6046660154392083
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Energy: -4.835259197906279
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Energy: 0.604666015435639
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Energy: -5.78495230724415
Energy: -6.750465106147606
Energy: -5.648023119776816
Energy: -3.7847934009275406
Energy: -3.4776864082159435
Energy: -5.925926817926939
Energy: -5.4726219662657485
Energy: -2.582052514466162
Energy: -2.6797192508973904
Energy: -3.3388115154056064
Energy: -3.3879243867798166
Energy: -4.098479095575271
Energy: -3.0708063428844214
Energy: -5.760395531312986
Energy: 0.32552730232484195
Energy: -4.263554052805912
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Energy: -4.531912930713534
Energy: 0.3255273023268248
Energy: -5.610978202379614
Energy: -5.905397496444181
Energy: -3.9851957410240106
Energy: -4.104812163461532
Energy: -3.336668419448123
Energy: -6.502629155527537

minimum gb energy = -6.9850136052469844 eV
minimum distance =  2.2548740635787 Angstroms
sigma value = 57


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

Energy: 0.7118834355867417
Energy: -2.4988332047550252
Energy: 0.38771193833553946
Energy: -2.4988332047875237
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Energy: -2.302804170437021
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Energy: -2.6912264985047565
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Energy: -2.3403842863830726
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Energy: -2.4988332047541224
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Energy: -2.632240444579457
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Energy: -3.035452180794369
Energy: -2.6152180535850826
Energy: -2.5569867213901
Energy: -2.615218053526445
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Energy: -2.556986721250256
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Energy: -4.035646020748442
Energy: 0.44692695357371504
Energy: -4.035644175705129
Energy: 0.44692695357190954
Energy: -4.035643362328207
Energy: 0.10692846337899939
Energy: -2.767398643704513
Energy: 0.1069284633853186
Energy: -2.7673986431351274
Energy: 0.10692846337177742
Energy: -2.767398642611741
Energy: 0.13161836764179996
Energy: -3.211439973358946
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Energy: -3.2114399581616566
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Energy: -3.2114399325450163
Energy: -3.929379618197059
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Energy: -3.929385906665601
Energy: 0.44377348300575253
Energy: -3.9293724420219713
Energy: 0.44377348300575253

minimum gb energy = -4.392421740044317 eV
minimum distance =  2.47449161633497 Angstroms
sigma value = 11


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

Energy: -2.554488257276173
Energy: 0.30090178940638695
Energy: -4.347936585427286
Energy: 0.3009017867373483
Energy: -3.8417792251439797
Energy: 0.3009017885847789
Energy: -3.757353101778295
Energy: -3.2581763349390047
Energy: -3.663190317775983
Energy: -3.1192807945623273
Energy: -3.599348933723277
Energy: -3.1011177762524067
Energy: -3.59878967304438
Energy: -3.6740054443166383
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Energy: -3.7612085970608837

minimum gb energy = -4.47753569731419 eV
minimum distance =  2.32205845657384 Angstroms
sigma value = 41


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

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minimum gb energy = -3.2220312131491573 eV
minimum distance =  2.32042409746151 Angstroms
sigma value = 33


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

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Energy: -4.308699719332447
Energy: -3.3396876693705573
Energy: 0.3092328416408196
Energy: -0.21633824103446483
Energy: 0.309231379822186
Energy: -0.2163382410706441
Energy: 0.30924880175065733
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Energy: -0.21494129327901004
Energy: 0.15011923459163837
Energy: -0.21494129328885292
Energy: 0.1501512871551094
Energy: -0.21494129329656764
Energy: 0.15039387717847816
Energy: -3.161069486817794
Energy: -2.5635219612246365
Energy: -3.2520119206750597
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Energy: -2.581012677238031
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Energy: 0.13591136848290186
Energy: -0.49495356909697646
Energy: 0.1281429270794504
Energy: -0.4949195801033444
Energy: 0.1357775012326741

minimum gb energy = -5.942557270586824 eV
minimum distance =  2.40237068779479 Angstroms
sigma value = 67


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

Energy: 0.08118533436680651
Energy: -0.4582604996668624
Energy: 0.08118533436997342
Energy: -0.4582604996661123
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Energy: -0.4459512730369838
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Energy: 0.06013464134994801
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Energy: 0.06013464135117033
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Energy: -0.45826049966636234
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Energy: -0.45826049966539
Energy: 0.0811853343677788
Energy: -0.4582604996658622
Energy: 0.06085509011841423
Energy: -0.4459512730384561
Energy: 0.06085509011474727
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Energy: 0.40401534833000197
Energy: -0.24246369577111393
Energy: 0.4040153483246126
Energy: -0.24246369576719698
Energy: 0.404015348322168

minimum gb energy = -0.4582604996668624 eV
minimum distance =  2.4194476161674 Angstroms
sigma value = 3


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

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Energy: -1.0728379407631061

minimum gb energy = -6.132825777005787 eV
minimum distance =  2.39522243552188 Angstroms
sigma value = 81


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

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Energy: -1.3209649396910528
Energy: -0.13065940804687634
Energy: -0.6813124384844194
Energy: -2.348408704276002
Energy: -1.4774521535057104
Energy: -0.6816539723180418
Energy: -0.676744618200532
Energy: -0.6881863711120804
Energy: -0.6548888139715985
Energy: -0.6370093615588374
Energy: -0.6548888139163511
Energy: -0.6370093615574675
Energy: -0.6548888139551613
Energy: -0.6370093615597504
Energy: -0.981917851428594
Energy: -0.7052849790677227
Energy: -0.9819178514158096
Energy: -0.7052849790567646
Energy: -0.9819178514267678
Energy: -0.7052849790572212

minimum gb energy = -2.416096968230616 eV
minimum distance =  2.39901236676719 Angstroms
sigma value = 43


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

Energy: -0.14386840685129415
Energy: -0.45828313481129174
Energy: -0.14386840684905078
Energy: -0.4582831348124134
Energy: -0.14386840684961164
Energy: -0.4582831348129742
Energy: -0.37613518212914643
Energy: -0.5378727819367277
Energy: -0.37613518212802477
Energy: -0.5378727819406537
Energy: -0.37613518212690306
Energy: -0.5378727819339235
Energy: -0.8012911785203497
Energy: -0.11767342227978941
Energy: -0.797168198908712
Energy: -0.11767342107115465
Energy: -0.7973447247689206
Energy: -0.11767341940395706
Energy: -0.4793967803008946
Energy: -0.6268128786535273
Energy: -0.4793967802762432
Energy: -0.6268059853516219
Energy: -0.4793967802767785
Energy: -0.626788405576167
Energy: -0.4710788504524587
Energy: -1.126714955163621
Energy: -0.471078850479379
Energy: -0.8645818447616119
Energy: -0.4710788505073954
Energy: -0.942796141593902
Energy: -0.5570727603322889
Energy: -0.37532951674117704
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Energy: -0.37532951675071136
Energy: -0.558518024476871
Energy: -0.3753295167512722
Energy: -0.4207118705721894
Energy: -0.2254966173046494
Energy: -0.4207118705705068
Energy: -0.22549661730184517
Energy: -0.4207118705721894
Energy: -0.2254966173007235
Energy: -0.3823441422734315
Energy: -2.3861937936439346
Energy: -0.3823441422538276
Energy: -0.686863189182876
Energy: -0.38234414225551017
Energy: -0.7069785320938344
Energy: -0.9756440302794878
Energy: -0.6899913559392498
Energy: -0.9915065392597446
Energy: -0.6899913559386889
Energy: -0.9613634211686718
Energy: -0.6899913559381281
Energy: -0.8063139311451938
Energy: -0.29174157933210465
Energy: -0.8690057657805634
Energy: -0.29174157933322636
Energy: -0.8678327645754502
Energy: -0.2917415793315438
Energy: -0.39402375408341955
Energy: -2.63160210705641
Energy: -0.39402373601895563
Energy: -2.5740734536251564
Energy: -0.39402386864683164
Energy: -0.7730951229518163
Energy: -0.37914626228415477
Energy: -2.2763278646037404
Energy: -0.3791462622959324
Energy: -2.2931270426397448
Energy: -0.37914626228920234
Energy: -2.213243158401684
Energy: -2.1639487030776934
Energy: -0.40282066984011955
Energy: -0.9508753307107312
Energy: -0.40282066983899784
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Energy: -0.6873073354321573
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Energy: -0.3371242743644492
Energy: -0.415502130789832
Energy: -0.6752454101547667
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Energy: -1.8801716478420505
Energy: -0.5284849081411855
Energy: -0.9771664162608216
Energy: -0.5246083755956349
Energy: -2.377544460009774
Energy: -0.5760001064300473
Energy: -0.5361346142302799
Energy: -0.4861340347414136
Energy: -0.5361346236644682
Energy: -0.5182806457575198
Energy: -0.536134609746699
Energy: -0.3310913026036234
Energy: -0.4146034065473038
Energy: -0.33109130260474506
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Energy: -0.3310913026053059
Energy: -0.41460340651253175
Energy: -0.3119999561271349
Energy: -0.39723019146531185
Energy: -0.3119999558939276
Energy: -0.3972301915123969
Energy: -0.31199995289588317
Energy: -0.39723019144399996
Energy: -0.6433325841031583
Energy: -0.5361082550605206
Energy: -0.5106974982356399
Energy: -0.5361082550582772
Energy: -0.5247359880687354
Energy: -0.536108255062203
Energy: -0.5021262452674754
Energy: -0.5876291224803004
Energy: -0.5027960549846219
Energy: -0.6025921171710049
Energy: -0.4999342218590377
Energy: -0.5961180367225714
Energy: -0.3092531193883934
Energy: -0.9626875756549356
Energy: -0.30925307996037765
Energy: -0.9626312668785575
Energy: -0.3092532063875605
Energy: -0.9629333816341089
Energy: -0.6977686818491059
Energy: -0.33024665576891116
Energy: -0.6977686818603226
Energy: -0.33024665536752845
Energy: -0.6977686818569576
Energy: -0.33024665588049273
Energy: -1.1679159502916259
Energy: -0.3851708025083073
Energy: -1.067010172407658
Energy: -0.38517080250942903
Energy: -2.292880852505888
Energy: -0.3851708025099898
Energy: -0.3505595545722508
Energy: -0.5208957121957716
Energy: -0.35055955457561583
Energy: -0.5208957122092317
Energy: -0.3505595545733724
Energy: -0.520895712178411
Energy: -0.29386352413435124
Energy: -0.6431217903032859
Energy: -0.2938635312465617
Energy: -0.6431217879774077
Energy: -0.293863579510044
Energy: -0.6431217858992931
Energy: -0.8551552246584276
Energy: -0.48923649263381846
Energy: -0.8541476142145127
Energy: -0.48923649253572254
Energy: -0.8542417364946914
Energy: -0.48923649242192313
Energy: -0.4888146989311158
Energy: -0.679122233031334
Energy: -0.49787119799068935
Energy: -0.6791222330296516
Energy: -0.48655621784491876
Energy: -0.6791222330352344
Energy: -0.3507329689972787
Energy: -0.6645282099693213
Energy: -0.3507329689860619
Energy: -0.6612285029834329
Energy: -0.35073296898886613
Energy: -0.6612127171975956
Energy: -0.3188584690022804
Energy: -0.42366046735337276
Energy: -0.318858469007328
Energy: -0.42366046736234614
Energy: -0.31885846899947623
Energy: -0.42366046734832513
Energy: -0.5560579856563965
Energy: -0.3965904854354621
Energy: -0.5602849805327129
Energy: -0.39659048542144104
Energy: -0.5556994574891642
Energy: -0.39659048542144104

minimum gb energy = -2.6359320044016643 eV
minimum distance =  2.39760853023216 Angstroms
sigma value = 57


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

Energy: -0.64874024159226
Energy: -1.178492278590995
Energy: -0.6437774039745332
Energy: -1.177702722157642
Energy: -0.6480964846657444
Energy: -1.1783332629336698
Energy: -0.9037187646614775
Energy: -1.1893656175441092
Energy: -0.8192651680662917
Energy: -1.1818776756680545
Energy: -0.9032318688643416
Energy: -1.1660113515416393
Energy: -1.4518691661762726
Energy: -0.6583077548045048
Energy: -1.4492756772565556
Energy: -0.6602500713809686
Energy: -1.4639720690647708
Energy: -0.6581507031547027
Energy: -0.6277683878751185
Energy: -1.1351835556574235
Energy: -0.62610556776964
Energy: -1.1342192504108755
Energy: -0.6275516412737787
Energy: -1.135657276636583
Energy: -1.082250217340006
Energy: -1.140464684915452
Energy: -1.0388217991876567
Energy: -1.1572017252870253
Energy: -1.184088021079294
Energy: -1.159346413341262
Energy: -1.4482305435187435
Energy: -1.1771865011768814
Energy: -1.457204026051047
Energy: -1.177114958480292
Energy: -1.4491587973675555
Energy: -1.1655585436304905
Energy: -1.1548543583727404
Energy: -0.7923019260513527
Energy: -1.1548930408198526
Energy: -0.7924936407015444
Energy: -1.161534128945473
Energy: -0.7912509263510651
Energy: -0.6681214327672205
Energy: -1.1869777983938492
Energy: -0.667352876388586
Energy: -1.1884879063996185
Energy: -0.672829447252071
Energy: -1.187003373821253
Energy: -0.9791269345809683
Energy: -1.1858026005479687
Energy: -0.9791269418016446
Energy: -1.1857954186332904
Energy: -0.9791269773020104
Energy: -1.1858700869662733
Energy: -1.732170115536371
Energy: -0.9352460044903386
Energy: -1.731601049693788
Energy: -0.9455220979382087
Energy: -1.7327119329076948
Energy: -0.9348462299175379
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Energy: -1.2100019639285422
Energy: -1.179450969401322
Energy: -1.1967530571319505
Energy: -1.172559641818539
Energy: -1.0820561862955418
Energy: -2.1006770139938586
Energy: -1.0818894851142893
Energy: -1.2832502646183919
Energy: -1.0819714768153557
Energy: -1.2425866548081186
Energy: -1.5577871357170883
Energy: -1.200219484014775
Energy: -2.753139779541884
Energy: -1.1699032541098153
Energy: -1.558310217088741
Energy: -1.1992716739312212
Energy: -1.0500052794566477
Energy: -1.1890148078545713
Energy: -1.0897502744472674
Energy: -1.189257823717634
Energy: -1.0869906616019365
Energy: -1.1876972698149035
Energy: -1.1832709583785344
Energy: -1.2035359674362405
Energy: -1.1823218336950005
Energy: -1.2039109142192006
Energy: -1.183546469995058
Energy: -1.2037465189959775
Energy: -0.9821165450019687
Energy: -1.191135105910041
Energy: -0.9821165407420078
Energy: -1.1797475932939445
Energy: -0.9821164842509545
Energy: -1.1833722503139739
Energy: -1.7250022015068573
Energy: -0.9157462319402709
Energy: -1.7238273892456804
Energy: -0.9543152723453707
Energy: -1.7030789039333953
Energy: -0.9141471155849004
Energy: -1.1778695516044102
Energy: -1.5070535046418971
Energy: -1.1938126417966015
Energy: -1.5160876555859117
Energy: -1.193178299449222
Energy: -1.5325085393641755
Energy: -1.7100650312041812
Energy: -0.9304246309391325
Energy: -1.7292709065411127
Energy: -0.9289089414091182
Energy: -1.709995361101461
Energy: -0.9588384991903565
Energy: -0.9558685347502082
Energy: -1.1812050840584258
Energy: -0.955868535718486
Energy: -1.1802734427435775
Energy: -0.9558685457961019
Energy: -1.1794174200203162
Energy: -1.1972765057447625
Energy: -1.1723986516812377
Energy: -1.1968343052783612
Energy: -1.1734101521448412
Energy: -1.1690412586392476
Energy: -1.1720512002983612
Energy: -1.0898000247091142
Energy: -1.1969614361882
Energy: -1.0898204884566955
Energy: -1.1744132202134898
Energy: -1.0893026421693857
Energy: -1.1764642629865318
Energy: -1.5615363469894818
Energy: -1.1969320370329943
Energy: -1.5578724129799297
Energy: -1.1931499239645242
Energy: -1.5583923057045734
Energy: -1.193723840242347
Energy: -1.0827834312797113
Energy: -1.1762787206575587
Energy: -1.0814352366146738
Energy: -1.2216514998079975
Energy: -1.051852432585822
Energy: -1.225662288148051

minimum gb energy = -2.753139779541884 eV
minimum distance =  2.37488248749578 Angstroms
sigma value = 17


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

Energy: -1.3547436842993996
Energy: -1.3734733187534547
Energy: -1.3547436842655567
Energy: -1.373473318729835
Energy: -1.354743684262476
Energy: -1.3734733187349695
Energy: -1.4871332460079114
Energy: -1.4254426006568943
Energy: -1.4871332460150999
Energy: -1.4254426053254339
Energy: -1.4871332460859132
Energy: -1.4254425979818621
Energy: -1.744839605883218
Energy: -0.9502008009190799
Energy: -1.7567809358883588
Energy: -0.9502008010422677
Energy: -1.7822726441797068
Energy: -0.9502008013574031
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Energy: -1.300666895036106
Energy: -1.8731732287710183
Energy: -1.3007504833637946
Energy: -1.8731731776277492
Energy: -1.296239593626177
Energy: -1.6903487036564653
Energy: -1.4950306490127
Energy: -1.7235113180155275
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Energy: -1.7356878743044168
Energy: -1.4357769521981418
Energy: -1.7196090772429669
Energy: -1.411239371405933
Energy: -1.7196090780559419
Energy: -1.4112393713382003
Energy: -1.719609077857833
Energy: -1.4112393715229592
Energy: -1.702280232506762
Energy: -1.9981427903487667
Energy: -1.7022802324882769
Energy: -1.985590016198802
Energy: -1.70228023248725
Energy: -2.0100735044405553
Energy: -1.8468403849190007
Energy: -1.653531589396473
Energy: -1.8468532161107187
Energy: -1.8461990251816094
Energy: -1.846845074023255
Energy: -1.8134193245410672
Energy: -1.6162923520013015
Energy: -1.41214602596986
Energy: -1.5979929394735397
Energy: -1.412143398235742
Energy: -1.617037121996378
Energy: -1.412143340686091
Energy: -1.349035205387672
Energy: -1.4850725340987856
Energy: -1.4007904156290027
Energy: -1.4850725340238646
Energy: -1.3883932973329276
Energy: -1.485072534111109
Energy: -1.4258745309401364
Energy: -2.002053985876185
Energy: -1.4258745309637564
Energy: -2.000942105826032
Energy: -1.4258745309565677
Energy: -2.0060275871098048
Energy: -1.7096100855998677
Energy: -1.4047752973512548
Energy: -1.9790002070095039
Energy: -1.4047752983418467
Energy: -2.0329337303965267
Energy: -1.4047752980246577
Energy: -1.858363888101842
Energy: -1.5276439134171214
Energy: -1.858363864937834
Energy: -1.527643905439171
Energy: -1.8583640314802299
Energy: -1.52764392197096
Energy: -1.3520201810946355
Energy: -1.9681165830921652
Energy: -1.3520201809458203
Energy: -1.9681165810289183
Energy: -1.35202018096944
Energy: -1.9681165795230282
Energy: -1.8097885280696522
Energy: -2.019531333795188
Energy: -1.832134544678961
Energy: -2.039187034075205
Energy: -1.8225052663543408
Energy: -2.0236503837942488
Energy: -1.7862378760228994
Energy: -1.3224176926723992
Energy: -1.7627722337346534
Energy: -1.322445498388922
Energy: -1.7742739895836976
Energy: -1.3223725064629457
Energy: -1.378476700572167
Energy: -2.1070301055010336
Energy: -1.3784767005814096
Energy: -2.1070301031668106
Energy: -1.3784767005598433
Energy: -2.107030100532809

minimum gb energy = -2.1070301055010336 eV
minimum distance =  2.38689604321307 Angstroms
sigma value = 17


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

Energy: -2.4063385748676933
Energy: -2.257016392902287
Energy: -2.4063392857124635
Energy: -2.257016392870561
Energy: -2.4063390977650156
Energy: -2.257016392976013
Energy: -2.6931246009155974
Energy: -2.524556164807639
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Energy: -2.642888580957547
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Energy: -2.5711578420887795
Energy: -2.610725875787482
Energy: -2.571157839316767
Energy: -2.7815187979625744
Energy: -2.5711578243547715
Energy: -2.5469213492713956
Energy: -2.9554603390400227
Energy: -2.1319640533189648
Energy: -2.3301827058170286
Energy: -2.131964055322346
Energy: -2.4736331767229807
Energy: -2.131964054417365
Energy: -3.061196130675538
Energy: -2.649232392406746
Energy: -3.0609577047222123
Energy: -2.6492323924567143
Energy: -3.06112325439483
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Energy: -2.8278737941334438
Energy: -2.4562855611586674
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Energy: -2.4876121704701375
Energy: -2.865070511711158
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Energy: -2.465760346767555
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Energy: -2.4639839713887626
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Energy: -2.4675199056763035
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Energy: -2.477825273864348
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Energy: -3.561220875459307
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Energy: -3.68463326049394
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Energy: -3.665632680829619
Energy: -2.584680029855432
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Energy: -2.5781819700420834
Energy: -2.2272550795797925
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Energy: -2.6620649049302094
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Energy: -2.5711577982412743
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Energy: -2.131964055691772
Energy: -2.9946111260256285
Energy: -2.131964055966092
Energy: -2.8403058127750977
Energy: -2.1319640539020717

minimum gb energy = -3.7703572750355496 eV
minimum distance =  2.3794764941629 Angstroms
sigma value = 57


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

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Energy: -3.28982163943952
Energy: -3.174082216842988
Energy: -3.2898216392039505
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Energy: -3.7538972156369765
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Energy: -3.8153367640505698
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Energy: -3.7283881351832604
Energy: -2.9586195158356503
Energy: -3.0426256180134064
Energy: -3.967392342912226
Energy: -3.04262561833873
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Energy: -3.9672607184642326
Energy: -3.351645480512536
Energy: -3.165616492632491
Energy: -3.5290720629718413
Energy: -3.1656164900643593
Energy: -3.4563732652122385
Energy: -3.1656164924356642
Energy: -3.715006418947483
Energy: -3.868187727688182
Energy: -3.726699286866575
Energy: -3.8737003558251364
Energy: -3.693225054721676
Energy: -4.244377084215304
Energy: -3.5337834289590035
Energy: -4.348800432933768
Energy: -3.5337834289357573
Energy: -4.0730846702031736
Energy: -3.5337834289648153
Energy: -4.222438762304357
Energy: -3.332757373820864
Energy: -2.9533368762940078
Energy: -3.363768788536201
Energy: -2.9533368764405266
Energy: -3.395643988933724
Energy: -2.953336876439881

minimum gb energy = -4.348800432933768 eV
minimum distance =  2.37564579244344 Angstroms
sigma value = 43


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

Energy: -2.021870851092289
Energy: -2.5210458918057315
Energy: -2.021883038745019
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Energy: -2.594527999920645
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Energy: -3.1624903380033116
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Energy: -2.6516570091885354
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Energy: -2.7529533666296695
Energy: -2.639715878624943
Energy: -2.7389936364636567
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Energy: -2.3521447131448348
Energy: -3.203252825706723
Energy: -2.364995866545968
Energy: -3.2037749198884646
Energy: -2.3564823197829368
Energy: -3.1935059086808053
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Energy: -2.6399133952817584
Energy: -2.813530689725442
Energy: -2.6399133953574614
Energy: -2.816916098572837
Energy: -2.639913395354168

minimum gb energy = -3.2037749198884646 eV
minimum distance =  2.37570885737488 Angstroms
sigma value = 81


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

Energy: 0.004179925550111172
Energy: -0.10610810297266578
Energy: 0.004179925550111172
Energy: -0.10610810297093716
Energy: 0.004179925550111172
Energy: -0.10610810297093716
Energy: 0.6265237386459255
Energy: -0.10669793282187738
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Energy: -0.10669793281669153
Energy: 0.6265237386459255
Energy: -0.10669793282187738
Energy: 0.6265385256857197
Energy: -0.10671352841543923
Energy: 0.626538525683991
Energy: -0.1067135284137106
Energy: 0.626538525683991
Energy: -0.10671352841716783
Energy: 0.004179925550111172
Energy: -0.10610810297266578
Energy: 0.004179925550111172
Energy: -0.10610810297439441
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Energy: -0.10610810297266578
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Energy: -0.10669793282187738
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Energy: -0.10669793282187738
Energy: 0.626523738644197
Energy: -0.10669793282187738
Energy: 0.626538525683991
Energy: -0.10671352841543923
Energy: 0.626538525683991
Energy: -0.10671352841543923
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Energy: -0.1067135284137106
Energy: 0.004179925550111172
Energy: -0.10610810297266578
Energy: 0.004179925550111172
Energy: -0.10610810297266578
Energy: 0.004179925550111172
Energy: -0.10610810297266578
Energy: 0.6265237386459255
Energy: -0.10669793282187738
Energy: 0.626523738644197
Energy: -0.10669793282014876
Energy: 0.6265237386459255
Energy: -0.10669793281669153
Energy: 0.6265385256822623
Energy: -0.1067135284137106
Energy: 0.626538525683991
Energy: -0.1067135284137106
Energy: 0.6265385256822623
Energy: -0.1067135284137106
Energy: 0.004179925550111172
Energy: -0.10610810297266578
Energy: 0.004179925550111172
Energy: -0.10610810297093716
Energy: 0.004179925550111172
Energy: -0.10610810297093716

minimum gb energy = -0.10671352841716783 eV
minimum distance =  2.43220021080841 Angstroms
sigma value = 3


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

Energy: -1.3357699614588556
Energy: -1.1660773368370583
Energy: -1.3357702327922252
Energy: -1.1636349406129725
Energy: -1.3357691116358479
Energy: -1.120845670784093
Energy: -1.0667368672611586
Energy: -3.187376416176661
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Energy: -2.9508033233251294
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Energy: -0.9731576646185773
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Energy: -1.0376636294306392

minimum gb energy = -4.995270617261978 eV
minimum distance =  2.30430123351892 Angstroms
sigma value = 67


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

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Energy: -1.7322396785952772
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Energy: -6.734932364897272
Energy: -6.4538861392277065
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Energy: -1.7543866705987279
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Energy: -1.6027522115344055
Energy: -8.066430327139424
Energy: -1.6310446201471605
Energy: -7.396805086436004

minimum gb energy = -8.076841399932803 eV
minimum distance =  2.38920829223152 Angstroms
sigma value = 33


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

Energy: -3.064203508436136
Energy: -2.8497611513346124
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Energy: -4.8743039365759735
Energy: -0.612427882002078
Energy: -5.0952518891499965
Energy: -0.612422830864977

minimum gb energy = -5.911356011152589 eV
minimum distance =  2.32716793275614 Angstroms
sigma value = 41


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

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Energy: -2.073295387969295
Energy: -0.6940065253533355
Energy: -2.586544349253826
Energy: -0.6940085933921527
Energy: -2.0012900736455697
Energy: -0.694006198698168
Energy: -2.6034842875839708
Energy: -0.4298864900793269
Energy: -1.4103622254117352
Energy: -0.42988683477606215
Energy: -1.4113338182342703
Energy: -0.429886549801082
Energy: -1.4112411664620585
Energy: -3.941264457179574
Energy: -0.8667952301879481
Energy: -3.987096456377487
Energy: -0.9042317044889782
Energy: -3.887732468709665
Energy: -0.8741570621850521
Energy: -2.6322734090439273
Energy: -0.3623580090251012
Energy: -3.083752744834019
Energy: -0.3434356278289963
Energy: -2.884420154279291
Energy: -0.34188932544977324
Energy: -2.811124147130996
Energy: -1.3453080226770586
Energy: -3.808588561955729
Energy: -1.3453086828528193
Energy: -3.629905476313259
Energy: -1.3453096436524394
Energy: -0.6703241047520103
Energy: -1.4285109631442554
Energy: -0.670324008818146
Energy: -1.3859314320263112
Energy: -0.6703238872116032
Energy: -1.3931235752801545
Energy: -1.6478297483519968
Energy: -2.301170725800233
Energy: -1.6489173339795953
Energy: -2.5000349522723986
Energy: -1.636185436576945
Energy: -2.197151588673348
Energy: -1.637897438864079
Energy: -1.400759104645415
Energy: -1.7228593022191208
Energy: -1.4272641158307298
Energy: -1.4424062087466347
Energy: -1.4224208599504393

minimum gb energy = -3.987096456377487 eV
minimum distance =  2.39379366718489 Angstroms
sigma value = 11


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

Energy: -0.0987509792048041
Energy: -2.303485572714282
Energy: -0.09875129272011271
Energy: -2.746037313054138
Energy: -0.09875280412834364
Energy: -2.3642490164896484
Energy: -1.3677344753954326
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Energy: -0.3297636760563722
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Energy: -1.7308079954438444
Energy: -2.231055944252829
Energy: -1.7067295093213775
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Energy: -2.3629980861007445
Energy: -1.975012637755885
Energy: -2.1676126685786232
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Energy: -2.6183819760121567
Energy: -2.648954278549794
Energy: -1.7347925925443994
Energy: -2.5115006921704
Energy: -3.166951994746767
Energy: -2.625346142783098
Energy: -3.1985297130513595
Energy: -2.5870796917851147
Energy: -0.41230565596971186
Energy: -2.621937805195244
Energy: -0.4465019728227638
Energy: -2.5068036303530805
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Energy: -1.2013776899807815
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Energy: -2.3584557766582743
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Energy: -1.91464719024684
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Energy: -1.8063417768964418
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Energy: -2.9911257279882872
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Energy: -2.2722753029536227
Energy: -2.3808994059874937
Energy: -1.6787954305488753
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Energy: -1.388307140805226
Energy: -2.382854398889775
Energy: -2.627414486781109
Energy: -2.798618988687971
Energy: -3.2811239925590914
Energy: -2.542843377864042
Energy: -2.8039612655020845
Energy: -2.7454953584522066
Energy: -1.8192777717043767
Energy: -2.0185475716601973
Energy: -2.172453878163733
Energy: -2.3620958693016783
Energy: -1.9464068792244795
Energy: -2.005364314698276
Energy: -2.4036188509996017
Energy: -2.3619861367974897
Energy: -2.7123324078808193
Energy: -2.0331807136800077
Energy: -2.7452301494520963
Energy: -1.811805094617948
Energy: -1.5253857540431572
Energy: -1.9268296339471604
Energy: -2.448174840155358
Energy: -1.6316015049949373
Energy: -3.0600603129119106
Energy: -1.4304513926625089
Energy: -1.611915034732092
Energy: -2.2495441615975533
Energy: -0.9703446521075425
Energy: -2.2060345794599763
Energy: -0.8986818941593675
Energy: -2.266069055986504
Energy: -2.222061682757522
Energy: -2.441962744032253
Energy: -1.650073527523739
Energy: -2.1622264875364627
Energy: -2.1067962501858295
Energy: -0.9897448946605124

minimum gb energy = -3.7080756529789864 eV
minimum distance =  2.28430656924265 Angstroms
sigma value = 57


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

Energy: -0.5547519966468211
Energy: -1.2609024263335855
Energy: -0.6071653136432662
Energy: -1.314302301530079
Energy: -0.585340815305174
Energy: -2.067324172287428
Energy: -0.7942130631640123
Energy: -1.6412219883614882
Energy: -1.224099880531305
Energy: -1.334273259326818
Energy: -0.981444253419535
Energy: -1.306645737491301
Energy: -0.8311597295975388
Energy: -1.7400355086229138
Energy: -0.8252385252850124
Energy: -1.68640691678885
Energy: -0.8404670422903407
Energy: -1.6662373660688727
Energy: 0.6518657578007285
Energy: 0.8757557078348025
Energy: 0.6518657577827641
Energy: -1.4604156676525863
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Energy: -1.1050211919534763
Energy: -1.3013328552122672
Energy: -1.661922527745734
Energy: -1.0519542834684164
Energy: -1.6587391609006157
Energy: -0.842101310038944
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Energy: -0.828828974412031
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Energy: -0.7931867945221361
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Energy: -0.7985996934941316
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Energy: -0.5620332504684215
Energy: -1.5559811584699252
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Energy: -1.3100026162845024
Energy: -0.19478684880101943
Energy: -3.814450991448841
Energy: -0.8924344317915199
Energy: -1.4293911778212434
Energy: -1.2156384959654267
Energy: -1.206981647329593
Energy: -0.965966986455551
Energy: -1.313606283607633
Energy: -0.9856368482682891
Energy: -1.7307288312627742
Energy: -1.0095955405970474
Energy: -1.6705385182721502
Energy: -0.840129046118404
Energy: -1.6534927512075708
Energy: 0.6518657577857583
Energy: -1.651191887314376
Energy: 0.6518657578027246
Energy: -0.9586551492520008
Energy: 0.6518657577987325
Energy: -1.0440586962537597
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Energy: -1.6708139711883556
Energy: -0.8094757544171328
Energy: -1.6627419089683075
Energy: -0.8245638387990092
Energy: -1.6617206813146257
Energy: -0.8362517904578554
Energy: -1.626479098000688
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Energy: -1.2068160530179173
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Energy: -1.1801816255748425
Energy: -0.2454358236761022
Energy: -1.7036508824190209
Energy: -0.5705223214074483
Energy: -1.3187981560737891
Energy: -0.565520692249427
Energy: -1.3134803398220285
Energy: -0.8355241631926199
Energy: -1.4301741974710234
Energy: -1.163287119981765
Energy: -1.404747475904331
Energy: -0.9618034746343033
Energy: -1.33680703962998
Energy: -0.8589232752326214
Energy: -1.7452546412711392
Energy: -0.8546727916884618
Energy: -1.6685573553762139
Energy: -1.0970527108831363
Energy: -1.6862134763179988
Energy: 0.6518657577937425
Energy: -1.616001941383828
Energy: 0.6518657578057186
Energy: -1.0792427499725672
Energy: 0.6518657577947404
Energy: -1.1104845040679043
Energy: -0.8248607329253836
Energy: -1.670465184888103
Energy: -0.8363711558621637
Energy: -1.6614863111747766
Energy: -0.8832988726678717
Energy: -1.6862199269211733

minimum gb energy = -3.814450991448841 eV
minimum distance =  2.392116992475 Angstroms
sigma value = 9


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

Energy: -2.2619237580936784
Energy: -2.862346599126766
Energy: -2.5574288944316836
Energy: -2.4114903638637757
Energy: -2.557149608028057
Energy: -2.644136486010177
Energy: -2.2420433478929644
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Energy: -2.982130762265661
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Energy: -2.2626855472951464
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Energy: -2.4695965917897094
Energy: -2.3487429090544265
Energy: -2.661684236586494
Energy: -1.9239946371038672
Energy: -2.8212909025219832
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Energy: -1.9180737897664069
Energy: -3.412050685725881
Energy: -2.917088102370032
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Energy: -2.6277088720885176
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Energy: -3.812293478424851
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Energy: -2.9686599383985963
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Energy: -2.2388721668380884
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Energy: -2.175305825743073
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Energy: -1.7929573942709185
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Energy: -1.8406210496906668
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Energy: -3.2805445529531525
Energy: -3.326285425178844
Energy: -3.153800119279909
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Energy: -3.0376558257848716
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Energy: -2.22144464465263
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Energy: -2.0930451519332913
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Energy: -2.106005052565061
Energy: -2.2835658385647104
Energy: -2.2873151960038305
Energy: -2.1985289803993986
Energy: -2.392023106053174
Energy: -2.287802865105272
Energy: -3.2415454662946894
Energy: -3.4047688576729263
Energy: -2.550246094224152
Energy: -2.930250902119766
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Energy: -3.3476470194436545
Energy: -2.0648969201147334
Energy: -3.355945144916069
Energy: -2.019035098048774
Energy: -3.336636404615374

minimum gb energy = -4.743701915877744 eV
minimum distance =  2.26228759736016 Angstroms
sigma value = 27


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

Energy: 0.9397376630165301
Energy: 0.8147989271054339
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Energy: 0.8658358358666869
Energy: 0.884964904640639
Energy: 0.865835835865313
Energy: 0.8849649046386097
Energy: 0.8658358358680605
Energy: 0.8849649046399833
Energy: 0.7524386788907478
Energy: -1.9269104017810097
Energy: 0.7524386789023937
Energy: -1.9269216982967703
Energy: 0.752438678883192
Energy: -1.9269136763954544
Energy: -1.892089730795855
Energy: 0.754996869112557
Energy: -1.893064582474702
Energy: 0.754996869106375
Energy: -1.892188484403071
Energy: 0.7549968691043144
Energy: 0.8824537604844702
Energy: 0.7403560277725497
Energy: 0.8824537604837834
Energy: 0.7403560277732365
Energy: 0.8824537604844702
Energy: 0.7403560277711759
Energy: 0.8715066575605497
Energy: -1.88070334194884
Energy: 0.8715066575598627
Energy: -1.8807030886205773
Energy: 0.8715066575591758
Energy: -1.8807032129465506

minimum gb energy = -1.9758457839254528 eV
minimum distance =  2.25589710183639 Angstroms
sigma value = 19


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

Energy: -1.0031463217464003
Energy: -1.0805554175140206
Energy: -1.0556600948053911
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Energy: -1.054951568478204
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Energy: -1.5951423850661575
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Energy: -1.2317237383487163
Energy: -2.0391734387910403
Energy: -1.2711091175483125
Energy: -1.8828108254922202
Energy: -1.396501934671567
Energy: -1.809753867029902
Energy: -1.0620224892387222
Energy: -0.9292613310277239
Energy: -1.3474234506711555
Energy: -1.1839994646984273
Energy: -1.245409493895343
Energy: -1.0599851920842376
Energy: -1.5891700202057144
Energy: -1.257466424588579
Energy: -1.2649094460639996
Energy: -1.1362426205528873
Energy: -1.328503342342769
Energy: -1.1741997859043969
Energy: -1.1655277485652717
Energy: -1.39486943294952
Energy: -1.4407416820077021
Energy: -1.3857680373597654
Energy: -1.4955266441932586
Energy: -1.1558322663609175
Energy: -1.4917525770588516
Energy: -1.6509493431892888
Energy: -1.3670132440853393
Energy: -1.2234758205352987
Energy: -1.3485872565627008
Energy: -1.734816020227305
Energy: -1.231030710699818
Energy: -1.6644117708806365
Energy: -1.3898091876021252
Energy: -1.620370935959821
Energy: -1.4857189849132675
Energy: -1.629422347706097
Energy: -1.3820780213125492
Energy: -1.1827389052935728
Energy: -1.041293875894717
Energy: -1.1574117097716945
Energy: -0.7138095268586915
Energy: -1.3570350321432174
Energy: -0.7628943062826586
Energy: -1.4939280366870045
Energy: -1.2042754354425467
Energy: -1.4727818031016175
Energy: -1.1581424823154711
Energy: -1.307603022852872
Energy: -1.2369204785484762

minimum gb energy = -3.0660200643580424 eV
minimum distance =  2.32021444821148 Angstroms
sigma value = 101


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

Energy: -1.5270433145601132
Energy: 0.24301258436159526
Energy: -1.25329605895746
Energy: -1.856812137639127
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Energy: 0.7453052100342326
Energy: -3.8582179122380245
Energy: 0.7453052100337112
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Energy: -0.9095747612405387
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Energy: -3.2943995850818273
Energy: -1.328718743685472
Energy: -2.740797912014891
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Energy: -1.453904537775872
Energy: -1.270835627117472
Energy: -1.657942299269139
Energy: 0.7514142698112463
Energy: -0.960212450072206
Energy: 0.7514142698159372
Energy: -1.0703595599176312
Energy: 0.7514142698148947
Energy: -0.8048724066746692
Energy: -2.9366544597798443
Energy: -1.388793410206611
Energy: -1.7714532664762594
Energy: -1.3913978922044983
Energy: -1.7973085848153834
Energy: -1.3898257940334702
Energy: -3.696526910948331
Energy: -3.1479442147408587
Energy: -3.9056347572453887
Energy: -2.9904741742452807
Energy: -3.66866739703284
Energy: -1.4884484924404013
Energy: -1.2046827057262826
Energy: -1.2454939513092314
Energy: -1.2773840781380597
Energy: -2.9065663469112932
Energy: -1.2237325741109848
Energy: -1.6148862658741607
Energy: -1.132087447484508
Energy: -1.3488982659945372
Energy: -1.1133847728010948
Energy: -2.4701867035652416
Energy: -1.546903035947229
Energy: -4.377362174761162

minimum gb energy = -4.377362174761162 eV
minimum distance =  2.23565940744765 Angstroms
sigma value = 33


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

Energy: 0.016602350798066733
Energy: 0.4819256150982211
Energy: 0.016602350798066733
Energy: 0.4819256150994962
Energy: 0.016602350798066733
Energy: 0.48192561509990517
Energy: 0.017250094668746132
Energy: -5.397217097950508
Energy: 0.017250094668313082
Energy: -5.397217097941196
Energy: 0.017250094667904094
Energy: -5.397217097950074
Energy: 0.4816347268376221
Energy: -5.398842627774503
Energy: 0.48153665117018857
Energy: -5.39884262777662
Energy: -1.3705341006482807
Energy: -5.398842627780422
Energy: 0.01725009466619596
Energy: -5.397217097958542
Energy: 0.017250094666629006
Energy: -5.397217097968286
Energy: 0.01725009466619596
Energy: -5.397217097939921

minimum gb energy = -5.398842627780422 eV
minimum distance =  2.45526299504788 Angstroms
sigma value = 1