Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6583663821220402
cohesive_energy=4.00235933929048
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0231756332985438e-19, 1.94278336462206e-19, 2.53892124660078e-19, 3.08872418032422e-19, 3.63783817809504e-19, 4.1530501182904196e-19, 4.600457943334919e-19, 4.973733055524239e-19, 5.2764643305185395e-19, 5.51695104328194e-19, 5.70910008699756e-19, 5.864094654570719e-19, 5.989865520339719e-19, 6.09226062901866e-19, 6.17570198811738e-19, 6.243073515577079e-19, 6.29621771452686e-19, 6.336688696301699e-19, 6.36596046340488e-19, 6.38606778016158e-19, 6.39915756326136e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39375822800478e-19, 6.375269109648419e-19, 6.34737521445048e-19, 6.308922975234479e-19, 6.25996045729944e-19, 6.200631856542419e-19, 6.13082502059904e-19, 6.04858529397582e-19, 5.9496028215273e-19, 5.828286006800819e-19, 5.67553448651526e-19, 5.471305030979279e-19, 5.17938844826448e-19, 4.75208793997668e-19, 4.1415304682919595e-19, 3.32885841422814e-19, 2.31767667521172e-19, 1.152807744755484e-19, -8.66155914460008e-21, -1.542612513277782e-19, -3.4849584836787596e-19, -6.2096360892255e-19, -1.046235761591706e-18, -1.7620738620731997e-18, -2.9885080318675195e-18, -5.1356650479226195e-18]
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: 0.0184588643799626
Energy: -2.172710084786541
Energy: 0.6073722035614235
Energy: 0.05511923887362597
Energy: 0.23976273463179723
Energy: -0.7393398462147178
Energy: -0.7207442129913539
Energy: -1.5315335460534756
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Energy: -1.8230855734243845
Energy: -1.7789100484006974
Energy: -1.0408477978730268
Energy: -1.507908636116009
Energy: 0.01973460082163743
Energy: -2.074137864876485
Energy: -2.4814833529814506
Energy: -1.7142941972560932
Energy: -1.7879769199594082
Energy: -1.6038330522752633
Energy: -1.4718683001374862
Energy: 0.019609839195158373
Energy: -2.0920902585540597
Energy: -2.207935551564676
Energy: -1.8884403567981654
Energy: -1.776355350304329
Energy: -1.7399139862835835
Energy: -1.687085803922098
Energy: -1.4540771576407865
Energy: -1.9986528719496692
Energy: -1.133840332075712
Energy: -1.64164729153186
Energy: -1.915003616605343
Energy: -1.0418110196548855
Energy: -1.4722464879681232
Energy: 0.02195744596161333
Energy: -2.028695868188661
Energy: -2.428077319682377
Energy: -1.7286394583463889
Energy: -1.7732810033568909
Energy: -1.6025988113907916
Energy: -1.553882120492998

minimum gb energy = -2.4814833529814506 eV
minimum distance =  2.38581004383703 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: -3.727225102378072

minimum gb energy = -4.41428498517038 eV
minimum distance =  2.21508324529032 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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minimum gb energy = -4.7074814551101385 eV
minimum distance =  2.1676223399091 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

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minimum gb energy = -2.071788830783558 eV
minimum distance =  2.20707209690786 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

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Energy: -1.3823027845124942
Energy: -0.8026507730709642
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Energy: -1.3916675385428137
Energy: -2.699661058159845
Energy: -1.2447110644738697

minimum gb energy = -3.1929526354500144 eV
minimum distance =  2.23764144368383 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

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Energy: -1.357663200919194

minimum gb energy = -2.1149560606744298 eV
minimum distance =  2.22217621873327 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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minimum gb energy = -6.399526637995772 eV
minimum distance =  2.17778576599272 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

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Energy: -1.7876094258943869
Energy: -2.322919606631108
Energy: -2.0812144236241097
Energy: -2.0791677049639308
Energy: -1.9259434298129867
Energy: -1.5901465129603958
Energy: -1.9393477394740495
Energy: -2.4130686998354145
Energy: -2.0191496383004233
Energy: -1.8699188802579876
Energy: -1.8706264471808889
Energy: -2.110929302769635
Energy: -1.8504686459537074
Energy: -2.133032209251224
Energy: -1.5799531677221024
Energy: -2.1269910503335114
Energy: -1.7593603368584991
Energy: -1.9530527493803906
Energy: -2.111062252656415
Energy: -1.5532983922534067
Energy: -1.5150408183325397
Energy: -1.7911692538293127
Energy: -1.615207834317448
Energy: -2.1489616862392404
Energy: -1.3319743082980258
Energy: -2.015116009207487
Energy: -2.0732585150399556
Energy: -2.3741844430901278
Energy: -1.7906691742287482
Energy: -1.6048605597830898
Energy: -2.2249297269432495
Energy: -2.2102816791193334
Energy: -1.5845933157685579
Energy: -1.8906171436747223
Energy: -2.1377756670252923
Energy: -1.554238707629384
Energy: -2.2440696708260455
Energy: -1.8015192915933695
Energy: -1.8609446646907757
Energy: -1.9138776326120506
Energy: -1.605021257023182
Energy: -1.9280278900848014
Energy: -1.636944132772633
Energy: -2.0954783785842834
Energy: -1.8724845292599321
Energy: -1.8709811822288411
Energy: -1.841411312741203
Energy: -1.3304488722755656
Energy: -1.4594597679481491
Energy: -1.577281707883476
Energy: -2.3112061307883534
Energy: -1.6656437562155404
Energy: -2.0716992998192567
Energy: -1.9232291869071942
Energy: -1.4420084587013957

minimum gb energy = -2.440482881799397 eV
minimum distance =  2.32288340020772 Angstroms
sigma value = 23