Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
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=3.658403597772121
cohesive_energy=3.8927084027090397
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]
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: 0.017952789404344156
Energy: -0.2964852926314078
Energy: 0.7255309145367695
Energy: 0.12038829287916054
Energy: 0.28996194643290646
Energy: -0.6434961326652
Energy: -0.6151520480638494
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Energy: -0.4816014545349848
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Energy: -0.5770951760028363
Energy: -0.9735209689013548
Energy: 0.018566306552705546
Energy: -1.645786011907232
Energy: -2.4448329894703016
Energy: -1.7995312917870745
Energy: -1.8463650270674115
Energy: -1.831833377892391
Energy: -0.9851632721607106
Energy: 0.019623224998594993
Energy: -1.9790520927922346
Energy: -1.9662884849911402
Energy: -1.8398441041610978
Energy: -1.7230298027484097
Energy: -0.704823937825093
Energy: -1.78189894568031
Energy: -1.0245974841954038
Energy: -1.64641433550438
Energy: -1.6259604965581855
Energy: -1.7574357988383709
Energy: -1.7784255755627625
Energy: -0.5856487144672489
Energy: -0.9512724806174107
Energy: 0.018503480733658866
Energy: -1.7437362533018743
Energy: -2.464945257576198
Energy: -1.7780145658694473
Energy: -1.8557720978313201
Energy: -0.9583651256132603
Energy: -0.9741940971429548

minimum gb energy = -2.464945257576198 eV
minimum distance =  2.42561416613618 Angstroms
sigma value = 5


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

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Energy: -3.6637902340960085

minimum gb energy = -4.36281953538335 eV
minimum distance =  2.18681163874089 Angstroms
sigma value = 401


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

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minimum gb energy = -4.550402038922838 eV
minimum distance =  2.18486237048893 Angstroms
sigma value = 311


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

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minimum gb energy = -2.170283441697563 eV
minimum distance =  2.19358736297535 Angstroms
sigma value = 39


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

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Energy: -1.8648857948525466
Energy: -2.703941114275478
Energy: -1.994328534750004
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Energy: -2.4235700916297613
Energy: -1.5307256532135487
Energy: -2.7652391128583016
Energy: -2.9163155519468713

minimum gb energy = -3.3010954189632136 eV
minimum distance =  2.20262790893055 Angstroms
sigma value = 21


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

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Energy: -1.4308128990846938

minimum gb energy = -2.1792325650270206 eV
minimum distance =  2.21128923490785 Angstroms
sigma value = 113


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

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minimum gb energy = -6.389765661115208 eV
minimum distance =  2.22052608049786 Angstroms
sigma value = 365


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

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Energy: -1.784401951563135
Energy: -2.2420468315809714
Energy: -1.592039552989757
Energy: -2.2519526286312654
Energy: -2.070565906385778
Energy: -2.067864136186778
Energy: -2.2916384417190594
Energy: -1.4288391351722478
Energy: -1.4802968124537246
Energy: -1.7759404257737161
Energy: -3.0175374942958078
Energy: -1.9226814112085238
Energy: -2.1870524321069422
Energy: -2.6043752315038438
Energy: -2.097181055437113
Energy: -2.1236418945407722
Energy: -1.5409334643403345
Energy: -2.110037552280592
Energy: -1.525429192043179
Energy: -2.076479954731011
Energy: -2.28840491081775
Energy: -1.533591023653032
Energy: -1.4116936131048363
Energy: -1.7746411235975157
Energy: -1.5941674685044511
Energy: -1.9721502774739934
Energy: -2.7439972175096843
Energy: -1.9466517591073411
Energy: -2.1823031057129083
Energy: -2.2070971110566955
Energy: -1.7816819166486406
Energy: -1.5975782612608211
Energy: -2.1865383849837317
Energy: -2.400657560758338
Energy: -1.5906616832473381
Energy: -2.1961162853475287
Energy: -2.119770438378398
Energy: -1.5273137974226494
Energy: -2.2460122835807343
Energy: -2.0859811966237265
Energy: -2.0769933909180387
Energy: -2.251529558497786
Energy: -1.53040993174452
Energy: -3.008029138751778
Energy: -1.7716708080712413
Energy: -1.9306218202357281
Energy: -1.8964952175792893
Energy: -1.8996148370345998
Energy: -2.773545259410879
Energy: -2.1775075227154423
Energy: -2.2377404899943816
Energy: -1.9664116883769847
Energy: -2.216126411102725
Energy: -1.8390924226301795
Energy: -2.0822334959410647
Energy: -2.291884811099649
Energy: -1.4340939744294257

minimum gb energy = -3.0175374942958078 eV
minimum distance =  2.3204999466989 Angstroms
sigma value = 23