Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_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=3.628442171216013 cohesive_energy=4.196040163280591 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 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: 0.019710889052325545 Energy: 0.5053809845895587 Energy: 0.8297730036964173 Energy: 0.5052775722293774 Energy: 0.019710889054810724 Energy: 0.5053809845895587 Energy: -0.7528450663028304 Energy: 0.6175919586811045 Energy: -0.007124359482157643 Energy: 0.24201153563179073 Energy: -0.007296886030276496 Energy: 0.6175919586811045 Energy: -0.007124359484642824 Energy: 0.24201153563029396 Energy: 0.019710889054810724 Energy: 0.5053809845895587 Energy: 1.24477786627879 Energy: 0.5052775722293774 Energy: 0.019710889054810724 Energy: 0.505380984589813 Energy: -0.8662182947857121 Energy: 0.6175919586811045 Energy: -0.007124359482157643 Energy: 0.24201153563153655 Energy: -0.007296886030276496 Energy: 0.6175919586811045 Energy: -0.007124359484642824 Energy: 0.24201153563029396 Energy: 0.019710889052325545 Energy: 0.505380984589813 Energy: 0.7661096477805542 Energy: 0.5052775722293774 Energy: 0.019710889054810724 Energy: 0.5053809845895587 Energy: 0.7661096474302849 Energy: 0.6175919586811045 Energy: -0.007124359482157643 Energy: 0.24201153563153655 Energy: -0.007296886030276496 Energy: 0.6175919586835896 Energy: -0.007124359484642824 Energy: 0.24201153563029396 minimum gb energy = -0.8662182947857121 eV minimum distance = 2.47587902918583 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: -1.7406694573206836 Energy: -1.6373085219004464 Energy: -3.1241678411069413 Energy: -1.6475355230889928 Energy: -1.7406694572508525 Energy: -1.6373085260125844 Energy: -1.343677872571921 Energy: -1.9299790866874826 Energy: -1.6137216415224676 Energy: -1.6993644417766878 Energy: -2.10115499931255 Energy: -1.9299790866844464 Energy: -1.6137216414708533 Energy: -1.6993644419162948 Energy: -1.7498153628918691 Energy: -4.2354226920085525 Energy: -1.8594396305551701 Energy: -3.070268860068756 Energy: -1.7498153628797795 Energy: -4.235325516436222 Energy: -1.8594396305460619 Energy: -1.8248159576810838 Energy: -3.225046136128682 Energy: -2.2320925586836586 Energy: -2.648914503699805 Energy: 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distance = 2.26629844997198 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.7709288481801945 Energy: 0.014166638213999192 Energy: -1.212615147171518 Energy: 0.014597814806911991 Energy: 0.7709288481924057 Energy: 0.014139573036904099 Energy: -1.049081434733204 Energy: 0.1154690112731124 Energy: 0.1660314322885429 Energy: -1.7551407911449024 Energy: 0.10890934221287929 Energy: 0.1154694288107423 Energy: 0.16603143239882648 Energy: -1.7870864176496142 Energy: -0.9570411859845945 Energy: 0.08941788432152588 Energy: -0.7064526825906513 Energy: 0.1884252485387557 Energy: -0.9338758132664706 Energy: 0.08941778049447102 Energy: -1.0278019796360818 Energy: 0.14256880908039654 Energy: 0.11997709393135413 Energy: -0.17298009590671548 Energy: 0.09377687424562622 Energy: 0.14256881808061223 Energy: 0.11997754805012711 Energy: -0.17297292093551853 Energy: 0.07506738772398458 Energy: 0.28461468194280637 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