Model name: model_name=EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.866965785622597 cohesive_energy=4.00485122546085 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 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: 0.013911723068086594 Energy: -1.5225434644450175 Energy: -0.32777977070754033 Energy: -1.803775442142354 Energy: -0.32777977067053365 Energy: -1.5399486398912368 Energy: 0.013911723068086594 Energy: -1.400636278232854 Energy: -0.32777977069649317 Energy: 0.43634542118000036 Energy: 0.19460987598952603 Energy: -2.1618959698551543 Energy: -0.580191130145452 Energy: 0.18867633665721228 Energy: -0.5801911301452168 Energy: -2.1966006093035686 Energy: 0.194609875989291 Energy: -2.2113468940999965 Energy: -0.580191130145922 Energy: 0.18867633665721228 Energy: 0.013911723068086594 Energy: -1.5213079106139427 Energy: -0.3277797706921318 Energy: -1.4927254811008637 Energy: -0.32777977068364395 Energy: -1.5202692583495891 Energy: 0.013911723068086594 Energy: -1.4857584804451973 Energy: -0.32777977069879144 Energy: 0.43634542118000036 Energy: 0.194609875989291 Energy: -2.1530843650916807 Energy: -0.5801911301449819 Energy: 0.18867633665721228 Energy: -0.5801911301452168 Energy: -1.0803822287786218 Energy: 0.194609875989291 Energy: -2.22311521781022 Energy: -0.5801911301445379 Energy: 0.18867633665721228 Energy: 0.01391172306764262 Energy: -1.512428398860815 Energy: -0.3277797707010896 Energy: 0.43634542118023545 Energy: -0.32777977068043174 Energy: -1.5133795619627521 Energy: 0.01391172306764262 Energy: -1.4952179930569722 Energy: -0.32777977068938957 Energy: 0.4363454211797654 Energy: 0.19460987598952603 Energy: -2.232457751684928 Energy: -0.580191130146131 Energy: 0.18867633665721228 Energy: -0.5801911301449819 Energy: -2.2300108166830923 Energy: 0.194609875989291 Energy: -2.212145109563708 Energy: -0.580191130145687 Energy: 0.18867633665721228 Energy: 0.013911723068086594 Energy: -1.5097273367240813 Energy: -0.3277797707098386 Energy: 0.43634542117929526 Energy: -0.3277797706744511 Energy: -1.5411187271853926 Energy: 0.013911723068086594 Energy: -1.5285582549299055 Energy: -0.3277797707096035 Energy: 0.43634542118044434 minimum gb energy = -2.232457751684928 eV minimum distance = 2.3152506267883 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -1.084517538677023 Energy: -1.7490114307067572 Energy: -1.2059680774222459 Energy: -1.9134165107992165 Energy: -1.6332247247330427 Energy: -1.8270895886839387 Energy: -1.084517589289505 Energy: -1.7490114306729803 Energy: -1.2059680773812016 Energy: -1.9134165108003425 Energy: -1.2931852629528737 Energy: -1.5825602067356321 Energy: -0.9866871728459703 Energy: -1.804845682954524 Energy: -1.4625274040407916 Energy: -1.3740572433033602 Energy: -1.293185262850468 Energy: -1.5825602067345061 Energy: -0.9866871727902897 Energy: -1.8048456829511463 Energy: -1.3390049691219938 Energy: -1.649648635179156 Energy: -1.5197740736831222 Energy: -1.7672374179002386 Energy: -1.1106909458987042 Energy: -1.2908215309787323 Energy: -1.3390049685182064 Energy: -1.649648635175215 Energy: -1.519774073674115 Energy: -1.7672374179008015 Energy: -1.6485812276549003 Energy: -1.4171814879891085 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