Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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=3.658403441309929
cohesive_energy=3.892708434526503
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=[9.72870491344212e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17, -7.253886753967679e-17, -1.463338415604096e-16, -2.7431026368377396e-16]
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: 0.017954671798435955
Energy: -1.5126964926725395
Energy: 0.7253932741236802
Energy: 0.11924435083447128
Energy: 0.28905449958159657
Energy: -0.6531898493495578
Energy: -0.6161564512899422
Energy: -1.0238674525788347
Energy: -1.6432695633736922
Energy: -0.48160949324879054
Energy: -1.8854074959503604
Energy: -1.8110197736671976
Energy: -0.5771058152318042
Energy: -0.9815116209556327
Energy: 0.01856819939245018
Energy: -1.6457806416634368
Energy: -2.4447427904059142
Energy: -1.8000566855439022
Energy: -1.8446197587126927
Energy: -1.8079986714364047
Energy: -0.983647856982534
Energy: 0.019625095542569613
Energy: -1.9699848557278314
Energy: -1.9662869035819717
Energy: -1.8399077498251493
Energy: -1.72885394797916
Energy: -0.7048495643388387
Energy: -1.7252063164884572
Energy: -1.0245358961169961
Energy: -1.6462367809673168
Energy: -1.487083849963137
Energy: -1.75743258725748
Energy: -1.7784478420999918
Energy: -0.5856505075093448
Energy: -0.9512061488508116
Energy: 0.018505281525074285
Energy: -1.7436770968251747
Energy: -2.4653902903966265
Energy: -1.7345076113522042
Energy: -1.8557921471925702
Energy: -0.9582756636878577
Energy: -0.9602406673094086

minimum gb energy = -2.4653902903966265 eV
minimum distance =  2.42024268805608 Angstroms
sigma value = 5


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

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Energy: -3.476959568367022

minimum gb energy = -4.34833973486966 eV
minimum distance =  2.20992913796563 Angstroms
sigma value = 401


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

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minimum gb energy = -4.399087383475845 eV
minimum distance =  2.18590435505087 Angstroms
sigma value = 311


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

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minimum gb energy = -2.0999905117512556 eV
minimum distance =  2.21820700569869 Angstroms
sigma value = 39


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

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Energy: -1.71565199007639
Energy: -1.9173319853218471
Energy: -1.8557589983465979
Energy: -3.0659000897750017
Energy: -2.732258053153517
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Energy: -2.41824608966342
Energy: -1.521655316205594
Energy: -2.8667567153840845
Energy: -3.0130047547107246

minimum gb energy = -3.124032561226546 eV
minimum distance =  2.17875854792636 Angstroms
sigma value = 21


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

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Energy: -1.5682518113625956
Energy: -1.450470412341031

minimum gb energy = -2.183985737668773 eV
minimum distance =  2.22370882108 Angstroms
sigma value = 113


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

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minimum gb energy = -6.423130707244241 eV
minimum distance =  2.19112067196192 Angstroms
sigma value = 365


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

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Energy: -1.784255611849654
Energy: -2.2249690795067023
Energy: -1.5920404152049605
Energy: -2.26460772767588
Energy: -2.070655914992585
Energy: -2.0674019573608198
Energy: -2.2455358847856894
Energy: -1.4286130371360077
Energy: -1.48029966347848
Energy: -1.8099437958131714
Energy: -2.9758236342707662
Energy: -1.9226808533167399
Energy: -2.188039480530495
Energy: -2.5038915834348434
Energy: -2.09717937213742
Energy: -2.1236450500804973
Energy: -1.5407873035424364
Energy: -2.1100178051840643
Energy: -1.5253290019768038
Energy: -2.087575490279638
Energy: -2.299083413472111
Energy: -1.5306986675898984
Energy: -1.4116911487673922
Energy: -1.7743089629643178
Energy: -1.5941675950316294
Energy: -1.969071404621215
Energy: -2.7454597043808073
Energy: -1.9469058798274024
Energy: -2.1824799867838607
Energy: -2.165464595777458
Energy: -1.7816926166013471
Energy: -1.59757758681051
Energy: -2.186619554068833
Energy: -2.40134772012921
Energy: -1.5906616614476565
Energy: -2.198777496078142
Energy: -2.119766499019468
Energy: -1.527297723743369
Energy: -2.258628686010653
Energy: -2.086716807598034
Energy: -2.0856000948862903
Energy: -2.2565103382203016
Energy: -1.5293599102059354
Energy: -3.0312863850637672
Energy: -1.7420960720574754
Energy: -1.930781388726654
Energy: -1.8981733209412086
Energy: -1.8996739625304726
Energy: -2.051938987254872
Energy: -2.1773044003960256
Energy: -2.2209187977785034
Energy: -1.9643557600989088
Energy: -2.2778738330470194
Energy: -1.8409545096687803
Energy: -2.0835584218661505
Energy: -2.2653997875629024
Energy: -1.4340913368565475

minimum gb energy = -3.0312863850637672 eV
minimum distance =  2.32050263062813 Angstroms
sigma value = 23