Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
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=3.6582963466644287
cohesive_energy=4.015220655245625
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=[1.399403557024326e-19, 2.21962346521092e-19, 2.7510173894097e-19, 3.2405784816947395e-19, 3.7376858259259196e-19, 4.21119310833828e-19, 4.62758279374854e-19, 4.97950089140664e-19, 5.26854957794658e-19, 5.4997917315318e-19, 5.685692286374819e-19, 5.836953782390759e-19, 5.961202580357459e-19, 6.063982211428559e-19, 6.1494743566188e-19, 6.220402716205979e-19, 6.278513662721159e-19, 6.32526517690128e-19, 6.36189093475452e-19, 6.38960859052272e-19, 6.409587733148699e-19, 6.422853755678219e-19, 6.43023978996096e-19, 6.432578967846599e-19, 6.42998344169952e-19, 6.42139577494128e-19, 6.40556626979736e-19, 6.38095683669912e-19, 6.34591723371354e-19, 6.29948615486022e-19, 6.24156746954112e-19, 6.172241286587939e-19, 6.09158771483238e-19, 5.998789644191099e-19, 5.89134767911506e-19, 5.76525637801926e-19, 5.61309766308828e-19, 5.420467966382459e-19, 5.16503294562384e-19, 4.819427423903699e-19, 4.34156222104686e-19, 3.65478920688276e-19, 2.6591005159171197e-19, 9.1176667887672e-20, -2.71266128079174e-19, -9.88323484979142e-19, -2.1421902684897e-18, -3.774888367367399e-18, -6.0632452101769195e-18, -9.21911661323208e-18, -1.3452163410858118e-17, -1.8925070618471397e-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: 0.017107017559284666
Energy: 0.019020047793687985
Energy: -0.965333821907353
Energy: -0.5433866517044006
Energy: 0.018661924113806114
Energy: 0.018252304372264754
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Energy: -0.990642308696192
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Energy: 0.018686620463086837
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Energy: -1.001214606492203
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Energy: -0.5261669617329049
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Energy: -0.5252780059863156
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Energy: -0.9795505292338085
Energy: -0.6537511322634263
Energy: 0.017583304691975006
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Energy: -0.6982415123583644
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Energy: 0.018174541525128075
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Energy: -0.9692575953378263
Energy: -0.5378475571530603
Energy: 0.01799191540965491
Energy: -0.7090982267238125
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Energy: -0.5300566161742064
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Energy: 0.018034787121930306
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Energy: -0.6645302549136979
Energy: -0.3668967544542115
Energy: -0.5453590598719131
Energy: -0.5301917657824461
Energy: -0.4900245223816799
Energy: -0.6298339518625464
Energy: 0.01791642622620441
Energy: -0.5426634303178195
Energy: -0.9905444128334658
Energy: -0.9917679324617557
Energy: -0.6179109931225607
Energy: -0.47632680353897167
Energy: -0.8942898010022717
Energy: -0.16212598603956752
Energy: -0.5468547774555158
Energy: 0.018021549904623752
Energy: -0.7806751351158993
Energy: -0.9231151685581469
Energy: -0.035651152282485304
Energy: -0.538270252309017
Energy: 0.018054852199861814
Energy: -0.6243797596055595
Energy: -0.6512239562211478
Energy: -0.5244030022141164
Energy: -0.5243796491071132
Energy: -0.9585174104015358
Energy: -0.4888328325353035
Energy: -0.6483632998263225
Energy: -0.6496323574669948
Energy: -0.527973735675579
Energy: -0.9248814613372268
Energy: -0.48821218128615806

minimum gb energy = -1.001214606492203 eV
minimum distance =  2.34497776547287 Angstroms
sigma value = 3


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

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Energy: -6.965541417347258
Energy: -5.517092420089468

minimum gb energy = -7.303557120609534 eV
minimum distance =  2.17598172711122 Angstroms
sigma value = 75


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

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minimum distance =  2.1793783946014 Angstroms
sigma value = 105


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

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minimum gb energy = -3.8208441437052825 eV
minimum distance =  2.17453288611469 Angstroms
sigma value = 165


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

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minimum gb energy = -3.996378790336467 eV
minimum distance =  2.28889233402054 Angstroms
sigma value = 41


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

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minimum distance =  2.20914139671745 Angstroms
sigma value = 185


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

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minimum gb energy = -6.812738417767204 eV
minimum distance =  2.27668778281498 Angstroms
sigma value = 33


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

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minimum gb energy = -3.939321575805612 eV
minimum distance =  2.24321609636668 Angstroms
sigma value = 219


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

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Energy: 0.4740245292778962

minimum gb energy = 0.03893130813542644 eV
minimum distance =  2.30315901722276 Angstroms
sigma value = 15


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

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Energy: -3.305678432835837
Energy: -1.8426898133068448

minimum gb energy = -8.0028385146344 eV
minimum distance =  2.20203097926593 Angstroms
sigma value = 293


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

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minimum gb energy = -3.3551957030388873 eV
minimum distance =  2.26484048911181 Angstroms
sigma value = 293


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

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Energy: 0.6567995264295766
Energy: 0.3576286844991998
Energy: 0.8722185719253529
Energy: 0.3063481569065508
Energy: 0.3492758463449286

minimum gb energy = 0.2733578576866971 eV
minimum distance =  2.28729079654381 Angstroms
sigma value = 15


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

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minimum gb energy = -4.255660862042578 eV
minimum distance =  2.1264695379158 Angstroms
sigma value = 437


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

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Energy: -3.034350770556455
Energy: -2.7863165854759075
Energy: -2.6387853166392268
Energy: -2.389949888536786
Energy: -3.1358289919364397
Energy: -3.0341006142161495
Energy: -2.7091851327963465
Energy: -1.9768152772126488
Energy: -3.389818849837518
Energy: -2.322237785214864
Energy: -2.281112681814642
Energy: -2.6960093184744705
Energy: -1.8988913643774845
Energy: -3.3900261565413126
Energy: -2.2961505712743335
Energy: -2.8329982181933944
Energy: -3.52540582461118
Energy: -1.9158633056425989
Energy: -2.817907614924657
Energy: -2.586526334604315
Energy: -2.4808369266174584
Energy: -2.2614393321102773
Energy: -1.9621934347705834
Energy: -3.3058000172689566
Energy: -2.3531004419796506
Energy: -2.5328838262562563
Energy: -3.3150191253991217
Energy: -3.028557989037114
Energy: -2.935870687382615
Energy: -2.2669869292646316
Energy: -3.479626975710684
Energy: -2.9496449037942503
Energy: -2.924869560611103
Energy: -2.654425613208351
Energy: -2.5830287753896557
Energy: -2.419849846103062
Energy: -3.3321644872976006
Energy: -3.3200441322752328
Energy: -3.1238443002925056
Energy: -2.4881773673840213
Energy: -3.0073602139262876
Energy: -3.3660095785677635
Energy: -3.4027078691849595
Energy: -3.154219190072024
Energy: -3.376058931756758
Energy: -3.0711921200053833
Energy: -2.796656830164257
Energy: -2.8374209589613613
Energy: -2.714831153173927
Energy: -2.261855098045534
Energy: -3.5181783714435557
Energy: -2.760958463014544
Energy: -2.872728328663966
Energy: -2.2448056178363474
Energy: -2.4224845352997564
Energy: -3.5409368031293544
Energy: -2.0152957862435663
Energy: -2.6107060279733876
Energy: -2.883000541827263
Energy: -2.8009475857467128
Energy: -3.0017734667281184
Energy: -2.131441908014172
Energy: -3.117848242188341
Energy: -2.3546620786112906
Energy: -2.604911794112315
Energy: -2.039116427649281

minimum gb energy = -3.5409368031293544 eV
minimum distance =  2.24043318531934 Angstroms
sigma value = 33