Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
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=3.605663573741914
cohesive_energy=4.1815964231097436
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=[1.66573498107078e-19, 2.57380063192296e-19, 3.2803284839842794e-19, 3.8315253113792997e-19, 4.2745431724466396e-19, 4.65018950605428e-19, 4.99571491894272e-19, 5.3185855542264e-19, 5.6050707581519395e-19, 5.844291751374479e-19, 6.03615240329598e-19, 6.18675700689198e-19, 6.303571705276919e-19, 6.3937261844721e-19, 6.463549042181819e-19, 6.5183755265973e-19, 6.562339253434259e-19, 6.59843629299828e-19, 6.628461083119439e-19, 6.653262777413759e-19, 6.672969550011959e-19, 6.687373117951621e-19, 6.69616906767228e-19, 6.699133094445179e-19, 6.6958326105791405e-19, 6.685082005365e-19, 6.665679646327258e-19, 6.63671229278454e-19, 6.59731476935448e-19, 6.546718031252761e-19, 6.48428120782578e-19, 6.40912310192484e-19, 6.31943325395352e-19, 6.21159074471898e-19, 6.08000397776856e-19, 5.91765541944534e-19, 5.718568950904499e-19, 5.4820876797261e-19, 5.19808584958326e-19, 4.75386635604042e-19, 3.7421238552020996e-19, 1.219350946895406e-19, -4.14688173824952e-19, -1.352270724805314e-18, -2.60767064596572e-18, -3.2906144579745595e-18, 1.9720711534915798e-19, 2.009129499036e-17, 9.674551343212919e-17, 3.6762743955447e-16, 1.3363563042997918e-15, 5.0924543441036396e-15]
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: 0.018339790143254948
Energy: -0.5133185819524455
Energy: 0.10208786296957129
Energy: 0.10125446416753568
Energy: 0.02279745589690464
Energy: 0.019682766819929042
Energy: -0.4279699525419939
Energy: 0.10316664330256145
Energy: -0.526036896254524
Energy: 0.0219596276021778
Energy: 0.10064914364603078
Energy: 0.03727343083980453
Energy: -0.3725323096310607
Energy: 0.027695196446201692
Energy: 0.025876689907583638
Energy: -0.4054788367987995
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Energy: -0.46497167637264736
Energy: 0.031003193480918678
Energy: 0.029253765283825867
Energy: -0.37440200693956105
Energy: 0.021514779923131843
Energy: 0.018902021396877338
Energy: 0.03197450286483784
Energy: 0.029613509383493355
Energy: -0.4163661760946589
Energy: 0.02423395533712767
Energy: 0.01866454963009649
Energy: 0.02811970681231127
Energy: 0.10289136729429339
Energy: 0.0316449956831232
Energy: 0.01962081343303281
Energy: 0.019714529436155894
Energy: -0.5310364913995397
Energy: 0.02759485254022515
Energy: 0.032613327903664016
Energy: 0.02029910147546483
Energy: 0.06608307265455107
Energy: -0.4670495570147744
Energy: 0.028282662646429715
Energy: 0.0328549273028836
Energy: 0.022916639559733745
Energy: -0.4376119712010729
Energy: 0.019622452074150688
Energy: 0.01903192981388473
Energy: 0.03305229650857203
Energy: 0.10137130330416703
Energy: -0.4240414976460513
Energy: 0.020774299549848732
Energy: 0.02317388660322138
Energy: -0.47722944941032314
Energy: 0.035706384620416406
Energy: 0.033503447229227525
Energy: 0.019534118691731404
Energy: 0.02144617884059573
Energy: -0.48991531962212986
Energy: -0.7573408278953058
Energy: -0.5027437471308469
Energy: 0.019970361834743752
Energy: 0.021456537143501972
Energy: 0.02243817865144596
Energy: 0.025478651619557206
Energy: 0.026586069794646134
Energy: 0.10130868850904547
Energy: 0.03269444615725291
Energy: 0.022937138462562793
Energy: 0.030371506703254576
Energy: 0.030945557773780382
Energy: -0.351210709320794
Energy: 0.03228411863610081

minimum gb energy = -0.7573408278953058 eV
minimum distance =  2.40879369047881 Angstroms
sigma value = 3


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

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Energy: -4.54284341624593
Energy: -4.2298407289109

minimum gb energy = -6.0350344058096175 eV
minimum distance =  2.3010489836769 Angstroms
sigma value = 75


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

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minimum distance =  2.28058415365522 Angstroms
sigma value = 105


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

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minimum gb energy = -3.9380787201075367 eV
minimum distance =  2.31326450686865 Angstroms
sigma value = 165


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

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Energy: 0.5663194811888884
Energy: 0.5602690929492276
Energy: 0.6239126015152381
Energy: 0.6652957215159065

minimum gb energy = -4.40724048167992 eV
minimum distance =  2.33883722720768 Angstroms
sigma value = 41


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

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minimum distance =  2.27696915894593 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
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minimum gb energy = -5.733984223758692 eV
minimum distance =  2.32721973588159 Angstroms
sigma value = 33


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

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Energy: -1.9112734384478578
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Energy: -1.8597864359582925
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Energy: -2.076457403216743
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Energy: -2.5754921462323583
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Energy: -2.221336344647587
Energy: -1.489167892798404
Energy: -2.794580524910786
Energy: -2.382422687407578
Energy: -2.178221511900715
Energy: -1.9239738738351724
Energy: -1.7355741752887388
Energy: -1.960503844875428
Energy: -3.127407272846647
Energy: -1.354354441462461
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Energy: -2.3003172298273626
Energy: 0.44717212336156537
Energy: -2.5965073343763585
Energy: -1.7278433269088025
Energy: -2.1138357854570815

minimum gb energy = -3.8120550986969732 eV
minimum distance =  2.25549220690189 Angstroms
sigma value = 219


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

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Energy: 0.7761991843646574
Energy: 0.7801789442060244
Energy: 0.7773271255274465
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Energy: 0.7902040165659547
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Energy: 0.7711959144805837
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Energy: 0.789548068767221
Energy: 0.7901866545936264
Energy: 0.7786701205058361
Energy: 0.7997236609392182
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Energy: 0.7899018791441221
Energy: 0.7911915388500762
Energy: 0.7789319477546878
Energy: 0.8013250124603986
Energy: 0.7588515837674028
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Energy: 0.7765368290183547
Energy: 0.7955461408684711
Energy: 0.8218243356688737
Energy: 0.7776106494344608
Energy: 0.778443055962064
Energy: 0.7778094059508678

minimum gb energy = 0.7583650952334908 eV
minimum distance =  2.35667107406571 Angstroms
sigma value = 15


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

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Energy: -4.506844730453849

minimum gb energy = -6.564716495105474 eV
minimum distance =  2.29318948605737 Angstroms
sigma value = 293


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

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Energy: 0.8178352269722579
Energy: 0.8783670745866426
Energy: 0.9017505073919121
Energy: -2.4214486392061123

minimum gb energy = -2.9312239733189895 eV
minimum distance =  2.32836304748635 Angstroms
sigma value = 293


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

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Energy: 0.9852899327985397
Energy: 0.9914164192645073

minimum gb energy = -0.8942118203043853 eV
minimum distance =  2.36235641748623 Angstroms
sigma value = 15


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

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minimum gb energy = -3.3678102980934295 eV
minimum distance =  2.33018838700659 Angstroms
sigma value = 437


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

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Energy: -0.09683227101047162
Energy: -1.4358984557290733
Energy: -1.2330133274232524
Energy: -1.518503064803038
Energy: -1.4774884449733259
Energy: -1.2530069225240883
Energy: -1.396819204407854
Energy: 0.8110001249952273
Energy: -1.4822820455519912
Energy: -1.5682402973146454
Energy: -1.211721934287504
Energy: -1.3810367536009165
Energy: 0.8134814465752805
Energy: 0.7674731228039167
Energy: -0.10677512022023883
Energy: -1.4904150769157574
Energy: -1.2101138885147644
Energy: -1.6165762770927758
Energy: 0.7521364215457389
Energy: 0.7508134013794119
Energy: -1.4905595808215706
Energy: 0.16968463483889465
Energy: -1.583483382607322
Energy: -1.4850112485582179
Energy: -2.123659798362899
Energy: 0.5660907516419409
Energy: -1.099332277308492
Energy: -1.4449862231091257
Energy: -1.4821587466668742
Energy: -1.4617864291775742
Energy: 0.9712561198886205
Energy: 0.8989629136189798
Energy: -1.4637579230995537
Energy: -3.812865386449185
Energy: -2.3785142909908012
Energy: 0.9028027012160896
Energy: -1.4874977946635055
Energy: -1.4589830290093586
Energy: -4.596037529499094
Energy: -1.8180837062183606
Energy: -1.494710480739927
Energy: -1.4916171017087543
Energy: 0.8096895062404222

minimum gb energy = -4.596037529499094 eV
minimum distance =  2.35920291088642 Angstroms
sigma value = 33