Model name: model_name=EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_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=3.65840482711792
cohesive_energy=3.892708402587109
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=[9.728656848143099e-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, -7.665966584232479e-17, -2.3832697866076797e-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: 0.017952777366378722
Energy: -0.292820868213426
Energy: 0.725433389915025
Energy: 0.12387780304074168
Energy: 0.2915362747755908
Energy: -0.649148671173106
Energy: -0.6118948191069229
Energy: -1.0240697744373493
Energy: -1.6434885242462742
Energy: -0.48155929388105756
Energy: -1.8632347878892492
Energy: -1.810515668015976
Energy: -0.5771705352219719
Energy: -0.9751034691840622
Energy: 0.01856638075823029
Energy: -1.645753424365126
Energy: -2.4451673863669483
Energy: -1.807423948054262
Energy: -1.8331578220318197
Energy: -1.7958794747751978
Energy: -0.9768805600980158
Energy: 0.01962317109585552
Energy: -2.010248175196633
Energy: -1.966414755754356
Energy: -1.8398922484367854
Energy: -1.7528529849271
Energy: -0.7096029150854156
Energy: -1.9063808457387317
Energy: -1.025752708210359
Energy: -1.648903388750384
Energy: -1.662085991609985
Energy: -1.7791991504535785
Energy: -1.7784469159089986
Energy: -0.5843458644267064
Energy: -0.9518146528507365
Energy: 0.01850379522243395
Energy: -1.7526967497653336
Energy: -2.465084932723618
Energy: -1.7786775774839372
Energy: -1.855725663710395
Energy: -0.9519696396920309
Energy: -0.970778478991635

minimum gb energy = -2.465084932723618 eV
minimum distance =  2.4246042527739 Angstroms
sigma value = 5


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

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Energy: -3.9551925650891393

minimum gb energy = -5.589909918105283 eV
minimum distance =  2.19664582052796 Angstroms
sigma value = 401


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

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Energy: -3.522332404162854

minimum gb energy = -4.485277310557578 eV
minimum distance =  2.19508384186856 Angstroms
sigma value = 311


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

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minimum gb energy = -2.119670098822775 eV
minimum distance =  2.19630848056289 Angstroms
sigma value = 39


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

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Energy: -2.4208995897431858
Energy: -1.7359866414696745
Energy: -2.240447061784725
Energy: -3.0198421452999225

minimum gb energy = -3.3738045513073045 eV
minimum distance =  2.23521087721698 Angstroms
sigma value = 21


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

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minimum gb energy = -2.1456785764303326 eV
minimum distance =  2.21107554616611 Angstroms
sigma value = 113


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

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minimum gb energy = -6.414217465812929 eV
minimum distance =  2.19398134896127 Angstroms
sigma value = 365


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

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Energy: -2.2813756139537147
Energy: -1.5920585659067408
Energy: -2.257349836233874
Energy: -2.0708080217465774
Energy: -2.0681133064553787
Energy: -2.2549827203837394
Energy: -1.4287918904772359
Energy: -1.4803100189353267
Energy: -1.741254798567496
Energy: -2.848686124220545
Energy: -1.9225520787729802
Energy: -2.1910527037181087
Energy: -2.1947537129675934
Energy: -2.097185048579972
Energy: -2.1236350692310797
Energy: -1.568874317358364
Energy: -2.1101873671082947
Energy: -1.525899626781583
Energy: -1.8608531977886393
Energy: -2.286940228655751
Energy: -1.5329415313102048
Energy: -1.411638935113184
Energy: -1.7729319905879752
Energy: -1.594152672755587
Energy: -1.9671959763734705
Energy: -2.8609932074181823
Energy: -1.9465892518455907
Energy: -2.1830135013294174
Energy: -2.237425382985175
Energy: -1.781748048125182
Energy: -1.5975727399219928
Energy: -2.1751523518716374
Energy: -2.4131114400526177
Energy: -1.5906401815131126
Energy: -2.197917640488367
Energy: -2.119775938881276
Energy: -1.5273002734024934
Energy: -2.174080510703405
Energy: -2.080650500444745
Energy: -2.0848094650115887
Energy: -2.2710732330037815
Energy: -1.5299154122672889
Energy: -3.0596758393980505
Energy: -2.0869960054933796
Energy: -1.9309600907974405
Energy: -1.8971310459491995
Energy: -1.9003936586849066
Energy: -3.0056560993562185
Energy: -2.1796175957666084
Energy: -2.2385974210967325
Energy: -1.9640829706849665
Energy: -2.207512217188524
Energy: -1.8401008197369326
Energy: -2.0835880836005876
Energy: -1.6465082472769024
Energy: -1.4341592417654057

minimum gb energy = -3.0596758393980505 eV
minimum distance =  2.3206009005795 Angstroms
sigma value = 23