Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.662545010447502
cohesive_energy=13.753385086681691
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.881380686562679e-27, 1.305272475423558e-18, 1.431131460907428e-18, 1.6149139382402997e-18, 1.77040518057e-18, 1.88178850016568e-18, 1.95888523979376e-18, 2.01355150654584e-18, 2.0540545318533598e-18, 2.0853290197490396e-18, 2.11017877934238e-18, 2.1301739437347e-18, 2.1463238842054197e-18, 2.1593656020061798e-18, 2.16987588072522e-18, 2.17830332982006e-18, 2.18506451521554e-18, 2.1904478287057797e-18, 2.19469359678588e-18, 2.19796203711924e-18, 2.20039734560292e-18, 2.20206360930228e-18, 2.2030409370490197e-18, 2.20336137237582e-18, 2.2030249152826796e-18, 2.20190339163888e-18, 2.19988464908004e-18, 2.19685653524178e-18, 2.19270689775972e-18, 2.1873876713348397e-18, 2.1809308994998198e-18, 2.17340066932002e-18, 2.16489311139348e-18, 2.1554562910192198e-18, 2.1450261211318798e-18, 2.133298188171e-18, 2.11977581738004e-18, 2.1038021163390598e-18, 2.08222079707908e-18, 2.0432558613402e-18, 1.97944116600798e-18, 1.88153215190424e-18, 1.73677549302234e-18, 1.5278660795384458e-18, 1.233073589765616e-18, 8.242814259537839e-19, 2.5166990566872e-19, -5.841600094629359e-19, -1.84694115837618e-18, -3.7607892129882e-18, -6.66015213693996e-18, -1.11832730141517e-17, -1.85671443584358e-17, -3.17593065451284e-17]
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: 0.058461009816697704
Energy: -0.19033834311193482
Energy: -0.9030059693613156
Energy: -1.2967239511778796
Energy: 0.06316244258885342
Energy: 0.060473005581166646
Energy: -0.20038830787507156
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Energy: -0.9650706369759477
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Energy: -0.9018107604059434
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Energy: -0.18734852837932775
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Energy: -0.01294846110954399
Energy: 0.6940279511978524
Energy: -0.18584254612191164
Energy: -1.130958778416308
Energy: -0.32899399492888826
Energy: 0.059804213889200396
Energy: -0.19360348160941585
Energy: 0.12839685011859261
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Energy: -0.5102445097752296
Energy: 0.05959804026186583
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Energy: -0.8416769017091709
Energy: -0.19958635983954456
Energy: 0.06238331641235347
Energy: -0.7283523295765398
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Energy: 0.06100456577125823
Energy: -0.3422674106524407
Energy: -0.1593829568187436
Energy: -0.012976515655118651
Energy: -0.20165506409873382
Energy: -1.2213390877312449
Energy: -1.1283265369848576
Energy: -0.7056068913203792
Energy: 0.06006999895867212
Energy: -0.187182954096435
Energy: -0.9001768449297962
Energy: -1.0141520093352685
Energy: -0.3473028805803072
Energy: -0.30839627504429423
Energy: -1.2309084065311204
Energy: 0.232634641580414
Energy: -0.18954282773034664
Energy: 0.060494863542736144
Energy: -0.33130882626707103
Energy: -1.229001666021194
Energy: 0.2892746545376209
Energy: -0.19278787501479758
Energy: 0.06184993449560374
Energy: -0.7070194759657916
Energy: -0.7037984236111782
Energy: -0.1352810360982891
Energy: -0.1968724388342675
Energy: -1.1315865631667466
Energy: -1.044528847331921
Energy: -0.7238025844085768
Energy: -0.1348873443151805
Energy: -0.1779797788520877
Energy: -1.2187828908066922
Energy: -0.5351473378928016

minimum gb energy = -1.2967239511778796 eV
minimum distance =  2.37049381230658 Angstroms
sigma value = 3


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

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Energy: -2.2415378691582393

minimum gb energy = -5.303126803381663 eV
minimum distance =  2.35223569444685 Angstroms
sigma value = 75


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

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minimum distance =  2.16984096077225 Angstroms
sigma value = 105


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

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minimum distance =  2.26210419907147 Angstroms
sigma value = 165


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

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minimum gb energy = -1.8834654734835574 eV
minimum distance =  2.29443917601005 Angstroms
sigma value = 41


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

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minimum distance =  2.29024237337855 Angstroms
sigma value = 185


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

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minimum gb energy = -2.1690075460215787 eV
minimum distance =  2.40301968562621 Angstroms
sigma value = 33


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

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minimum gb energy = -2.0392171932643732 eV
minimum distance =  2.29223318251344 Angstroms
sigma value = 219


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

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Energy: 0.7081042662016935

minimum gb energy = 0.2718993363128578 eV
minimum distance =  2.32909993146304 Angstroms
sigma value = 15


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

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Energy: 0.9997169934540109
Energy: -1.0886844201290213
Energy: -1.1661150456851312
Energy: 0.756878036632111

minimum gb energy = -3.0454665408262858 eV
minimum distance =  2.28598213207452 Angstroms
sigma value = 293


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

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Energy: 1.0057288791178896
Energy: 1.1044327643088687
Energy: 0.9835820535541685
Energy: 0.8868716341045809
Energy: 1.492228404682975
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Energy: 0.945389965377722
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Energy: 1.0725464455844027
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Energy: 1.2835936530137053
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Energy: 0.9597572347189997
Energy: 1.0201381876994315
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Energy: 1.1851479675354364
Energy: 0.40299723261968845
Energy: 1.5205058519257164
Energy: 1.2764307522775138
Energy: 1.010664679464287
Energy: 1.139170211350862
Energy: 0.9485855007589971
Energy: 1.1085451218390392
Energy: 1.3365855984407724
Energy: 1.0780085600430453
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Energy: 0.9585696239847146
Energy: 1.0916476908564385
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Energy: 0.9944781424955484
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Energy: 0.9835025802202244
Energy: 1.106898860412235
Energy: 0.9373718340176121
Energy: 0.9574907962100215
Energy: 1.1159428306142627
Energy: 1.0549507191269132
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Energy: 1.0301595859400694
Energy: 1.1586298437073164
Energy: 1.0691564667923419
Energy: 0.9442764306510643
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Energy: 1.040167580912699
Energy: 1.0996738367016325
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Energy: 0.8953476377408016
Energy: 1.0847766494223856
Energy: 1.0026791664436414
Energy: 1.0985472316461524
Energy: 1.0491943034620794
Energy: 0.877270430533491
Energy: 1.505630211129232
Energy: 0.667973164266164
Energy: 0.6593552945208069
Energy: 0.9465189152396838
Energy: 1.2346501234166898
Energy: 1.541631745696107
Energy: 0.18400291277986955
Energy: 0.9702412497082102
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Energy: 0.7729144348375366
Energy: 0.9389890640323107
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Energy: 0.879440082026132
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Energy: 1.013320939954157
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Energy: 0.2196297543547262
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Energy: 1.3740960475920612
Energy: 1.0955097371299047
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Energy: 1.1181460703211312
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Energy: 1.3691241647757557
Energy: 1.095000073365748
Energy: 1.290266561734052
Energy: 1.0187322995323194
Energy: 1.1852051308107416
Energy: 1.2591661314680862
Energy: 1.1497790897443192
Energy: 0.9867885604262148
Energy: 1.0165363212249638
Energy: 1.3734071734218694
Energy: -0.019304281419413975
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Energy: 0.9253965558075958
Energy: 0.945190373694724
Energy: 0.7210596239260642
Energy: 1.010041773164378
Energy: 1.0078918490470248
Energy: 0.9375490724362666
Energy: 0.875147262452648
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Energy: 1.012139385193924
Energy: 1.1940458420108435
Energy: 0.9212110761782594
Energy: 1.127805061409999
Energy: 1.3600429010079411
Energy: 1.0161263633737745
Energy: 0.9263468150148124
Energy: 1.0576219669587146
Energy: 1.2885297265828097
Energy: 1.3226226956158524
Energy: 1.0126629917928887
Energy: 1.0680844685281041
Energy: 1.0940634723470084
Energy: 0.9919669818295553
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Energy: 1.0039293428616822
Energy: 0.9767615942520509
Energy: 0.968933252326519
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Energy: 1.0068107163581295
Energy: 0.9628416710380452
Energy: 0.9659511846403825
Energy: 0.24199976978715795
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Energy: 1.0452525387707268
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Energy: 1.0184769231331035
Energy: 1.0567776681856793
Energy: 1.215780975680509
Energy: 1.0645445831508444
Energy: 0.9927023948622858
Energy: 1.012020471515308
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Energy: 0.7877448943810488
Energy: 0.9717902952860852
Energy: 1.5046963957777806
Energy: 1.482734936272789
Energy: 1.0483931718804342
Energy: 0.9461303894280594
Energy: 0.9895054005302651
Energy: 1.505960327516543
Energy: 1.068586885377406
Energy: 1.1821832527342648
Energy: 1.0631591267528555
Energy: 0.9152352894877871
Energy: 1.1753788215843965
Energy: 0.8893787273365171
Energy: 0.9963818653976393
Energy: 0.9574501503082729
Energy: 0.9306634199702986
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Energy: 0.8787438689477777
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Energy: 1.0570439602008692
Energy: 1.30528015693977
Energy: 0.9870802601642543
Energy: 0.9648642296910637
Energy: 1.2435304087532877
Energy: 1.308225685501362
Energy: 1.3027806339912689
Energy: 0.9903843274043836
Energy: 0.9475122942124521
Energy: 1.1767025563753817
Energy: 0.9770813142486615
Energy: 1.1127003527554453
Energy: 1.1284242460510463
Energy: 1.3461388403177155
Energy: 1.099340244768856
Energy: 0.9926291637346353
Energy: 1.0830334740166692
Energy: 0.9489389464474443
Energy: 1.0666615779883226
Energy: 0.7334709703601546
Energy: 0.7987084846551328
Energy: 0.9263163796964753
Energy: 0.9702523260102002
Energy: 1.3348371862378727
Energy: 1.2134707902304143
Energy: 0.7988676377562111
Energy: 0.9294589774520072
Energy: 0.9685992841785188
Energy: 1.428786703448598
Energy: 0.9130416632988132
Energy: 1.0256491660078226
Energy: 1.0425368607125267
Energy: 0.9850575233730648
Energy: 1.014241798351197
Energy: 0.9278233421028355
Energy: 1.0041068532063264
Energy: 1.0322139565448338
Energy: 0.7699097859008289
Energy: 0.9937759442496793
Energy: 0.9843419666657871
Energy: 1.1746486090608232
Energy: 1.0056201307727664
Energy: 1.3273062776542168
Energy: 1.1281221804606216
Energy: 0.9889394953276099
Energy: 1.204462132355506
Energy: 1.0067867658463474
Energy: 1.3606101663950523
Energy: 1.2369186633482843
Energy: 0.9653236513562958
Energy: 1.091987051748924
Energy: 0.9616789198890915
Energy: 1.0977039171182137
Energy: 0.8985749943167771
Energy: 0.9702999609776329
Energy: 1.1153105137707204
Energy: 0.7768406858441171
Energy: 0.8402382957341601
Energy: 0.9410974238872402
Energy: 0.9822432380435124
Energy: 1.1747923142913081
Energy: 0.8982281790471508
Energy: 1.1678638309864608
Energy: 1.0009051766140984
Energy: 0.9767809053820379
Energy: 1.1486516187928615
Energy: 1.2888801173107471
Energy: 1.0723690449592052
Energy: 0.9595919682880559
Energy: 1.3214414752144485
Energy: 1.009572283919871
Energy: 1.1657745905434262
Energy: 1.1281230373009887
Energy: 0.971171124569813
Energy: 1.5157330674877807
Energy: 1.0075256927221994
Energy: 1.017089871516032
Energy: 1.0347287180838367
Energy: 0.9618349015237017

minimum gb energy = -0.019304281419413975 eV
minimum distance =  2.29550020502253 Angstroms
sigma value = 293


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

Energy: 1.4095457224243009
Energy: 0.7171565932603408
Energy: 0.6454310322536757
Energy: 0.5724285571517438
Energy: 0.9596956070596464
Energy: 1.4107260762538572
Energy: 0.7200833794311114
Energy: 0.5899285641798209
Energy: 0.5549295653270795
Energy: 0.9585359999330766
Energy: 0.6518209866021349
Energy: 0.49956088382456604
Energy: 0.6853337321333764
Energy: 0.5690598886276296
Energy: 0.6568537714147776
Energy: 0.5602513218890014
Energy: 0.616018631467276
Energy: 0.9577316665678901
Energy: 0.5669888252392261
Energy: 0.6603002332177732
Energy: 0.5688382397737184
Energy: 0.6897595171839723
Energy: 0.5913403240812792
Energy: 0.6243093262975199
Energy: 0.5552837657390813
Energy: 0.5778456824455287
Energy: 0.657504942641805
Energy: 0.5667729974200849
Energy: 0.6252322093587258
Energy: 0.5570867258220626
Energy: 0.6359640893019122
Energy: 0.9520685392536018
Energy: 0.9503216838461376
Energy: 0.5943707016704628
Energy: 0.5522015022523455
Energy: 0.5939271830796627
Energy: 0.9129517396382851
Energy: 0.9499243488188331
Energy: 0.5820855785955075
Energy: 1.2271659361392135
Energy: 0.5674504353354258
Energy: 0.9522728459162653
Energy: 0.9106507065868528
Energy: 0.720382423250956
Energy: 0.6875125256404329
Energy: 0.5901778891208984
Energy: 0.9543200047234159
Energy: 0.9377963007941424
Energy: 0.4438616999145877
Energy: 0.6278596364477077
Energy: 0.6168875290970357
Energy: 0.5947179638846775
Energy: 0.6943072280166745
Energy: 0.5708375471048889
Energy: 0.9559439300955314
Energy: 0.5476849450851586
Energy: 0.6120674317185617
Energy: 0.6902187721481142
Energy: 0.7215405723491064
Energy: 0.9558295235331935
Energy: 0.5556928418399024
Energy: 1.231105400623243
Energy: 0.6087553395612465
Energy: 0.6556528136907794
Energy: 0.539439016950492
Energy: 0.5282800572013022
Energy: 1.2318687278754767
Energy: 0.6192476621526007
Energy: 0.6810130333012049
Energy: 0.534947234306605
Energy: 0.5971925594810565
Energy: 0.5746787857029864
Energy: 0.6141238085984596
Energy: 0.8913815114874709
Energy: 0.9511495597080926
Energy: 0.5583819123425489
Energy: 0.5509199381003582
Energy: 0.6468013169548054
Energy: 1.416565819534563
Energy: 0.9499927557687463
Energy: 0.634239739172166
Energy: 0.9605313617244526
Energy: 0.5992665840172737
Energy: 0.9506363449692384
Energy: 0.46022889590119764
Energy: 0.718742072162641
Energy: 0.5588484615397386
Energy: 0.5569785780898172
Energy: 0.9517393988398098
Energy: 0.4089233759257405
Energy: 0.7106100894749697
Energy: 0.6866450421590639
Energy: 0.7019757994796287
Energy: 0.5419665156239223
Energy: 0.6670802275148674
Energy: 0.7494318063227483
Energy: 0.5569739112610586
Energy: 0.6264425150910354
Energy: 0.5532039575940633
Energy: 0.6893192031692891
Energy: 0.9524547211914196
Energy: 0.5682844868653825
Energy: 0.5766288779579518
Energy: 0.4881078010176059
Energy: 0.6686558469636354
Energy: 0.9513526247204592
Energy: 0.6295817509208038
Energy: 1.2323775188088768
Energy: 0.532035894610055
Energy: 0.6598164684531782
Energy: 1.409814865557052
Energy: 0.6936248325187635
Energy: 0.5974971946214354
Energy: 0.5381310016470835
Energy: 0.9579156943285357
Energy: 1.4110607674465956
Energy: 0.6918858790604148
Energy: 0.638585470248924
Energy: 0.5792819397819626
Energy: 0.9570101207421486
Energy: 0.591472433348099
Energy: 0.5248480995091785
Energy: 0.6801051965628296
Energy: 0.5833259219700097
Energy: 0.6598048527125625
Energy: 0.8630956375926974
Energy: 0.616531926804474
Energy: 0.9576645746686308
Energy: 0.5670954919703814
Energy: 0.6681351395608071
Energy: 0.5797085449007346
Energy: 0.7213817879366408
Energy: 0.5681423370202018
Energy: 0.623168514000143
Energy: 0.5462788057844143
Energy: 0.575001009512142
Energy: 0.6828279352300396
Energy: 0.5682853042206706
Energy: 0.6205292731847768
Energy: 0.5470217344459548
Energy: 0.6066556487885656
Energy: 0.951701240119274
Energy: 0.9503262554410777
Energy: 0.5960631968715165
Energy: 0.5573285260636713
Energy: 0.6070822767378296
Energy: 0.9164827576064055
Energy: 0.9500010389161185
Energy: 0.5673220510546352
Energy: 0.5486339819116245
Energy: 0.5866704839164718
Energy: 0.9525417157619417
Energy: 0.9048991227922161
Energy: 0.4443415160904863
Energy: 0.6946386192526027
Energy: 0.5852515391884504
Energy: 0.9559939777056273
Energy: 0.9263730309542161
Energy: 0.49887249363644526
Energy: 0.6853846391586461
Energy: 0.5975478038333607
Energy: 0.6055424921474079
Energy: 0.660018755739506
Energy: 0.5616428031378211
Energy: 0.9567482621921232
Energy: 0.5728770687924856
Energy: 0.614670251040142
Energy: 0.686859680162482
Energy: 0.6828121275658606
Energy: 0.9566032789670383
Energy: 0.5339430151465557
Energy: 1.2293845233491079
Energy: 0.587615567662989
Energy: 0.6524016190339245
Energy: 0.6499607544577797
Energy: 0.527310221107438
Energy: 1.2313373882070593
Energy: 0.6153013035068366
Energy: 0.6536229834676857
Energy: 0.6320338912932452
Energy: 0.5720465452110777
Energy: 0.5619319838272497
Energy: 0.6132253605392074
Energy: 0.8990109374788474
Energy: 0.9521898083072609
Energy: 0.5377053011631976
Energy: 0.5669953936784548
Energy: 0.6162967598694767
Energy: 1.414925953936451
Energy: 0.9510644462500524
Energy: 0.6036855196853048
Energy: 0.9581634003518573
Energy: 0.5916487755201012
Energy: 0.9499544570262345
Energy: 0.4674393923561913
Energy: 0.49144498610315157
Energy: 0.5592238488581766
Energy: 0.510643765848478
Energy: 0.9516076696181113
Energy: 0.41292213650350024
Energy: 0.7209972242845489
Energy: 0.6608268736035796
Energy: 0.5568150311918014
Energy: 0.5451560334739597
Energy: 0.6881723246550889
Energy: 0.6843336498352873
Energy: 0.4998077182275517
Energy: 0.6608755752492471
Energy: 0.5556081031435479
Energy: 0.7515515260746001
Energy: 0.952646665799637
Energy: 0.63559065489883
Energy: 0.61912611144358
Energy: 0.4937333165416016
Energy: 0.5679699723387969
Energy: 0.951450421562088
Energy: 0.4837122599857677
Energy: 1.2339917981856623
Energy: 0.535031987660943
Energy: 0.6598742617480634

minimum gb energy = 0.4089233759257405 eV
minimum distance =  2.30906616723703 Angstroms
sigma value = 15


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

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minimum distance =  2.24316831158515 Angstroms
sigma value = 437


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

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Energy: -1.558310101929749
Energy: -1.5689534167609083
Energy: -1.4118542122665707
Energy: -1.256827547011409
Energy: 0.9869060944470085
Energy: -1.5322359026504182
Energy: -0.8143306199409427
Energy: -1.4894534159000896
Energy: 1.1495574243989701
Energy: 1.0837789668616302
Energy: -1.5140505382590321
Energy: -1.2335529853776235
Energy: -1.2592590696690644
Energy: 0.34118900186262485
Energy: 1.154289519176093
Energy: -1.518768080010023
Energy: 1.7376216839007312
Energy: -1.3484007511115554
Energy: 1.0833997277657732
Energy: -1.096578272289997
Energy: 0.746140718788877
Energy: 0.4136328378597348
Energy: -1.5730206141778789
Energy: -0.802999138372342
Energy: -0.8179436369242857
Energy: -1.126166022723065

minimum gb energy = -1.9426589288688243 eV
minimum distance =  2.25831039593375 Angstroms
sigma value = 33