Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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=3.623951092362404 cohesive_energy=4.187902368921966 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: 0.019729246862410173 Energy: 0.45860090016643806 Energy: -1.0564780743497197 Energy: 0.45848078666386305 Energy: 0.019729246862410173 Energy: 0.45860090016570204 Energy: 0.3830270725756936 Energy: 0.4506783528980026 Energy: 0.02279620658072454 Energy: 0.22408551960579537 Energy: 0.022669707295768567 Energy: 0.4506783528980026 Energy: 0.02279620658072454 Energy: 0.22408492589023313 Energy: 0.019729246862410173 Energy: 0.4586009001661833 Energy: 0.4982314401945307 Energy: 0.45848078666386305 Energy: 0.019729246862410173 Energy: 0.45860090016570204 Energy: 0.38303229264706273 Energy: 0.4506783528980026 Energy: 0.02279620658072454 Energy: 0.22408463496482595 Energy: 0.022669707295768567 Energy: 0.4506783528980026 Energy: 0.02279620658072454 Energy: 0.22407453120460563 Energy: 0.019729246862410173 Energy: 0.45860090016669286 Energy: 0.3830386387571512 Energy: 0.45848078666386305 Energy: 0.019729246862410173 Energy: 0.4586009001659285 Energy: 0.38302264639501976 Energy: 0.4506783528980026 Energy: 0.02279620658072454 Energy: 0.2240807414014578 Energy: 0.022669707295768567 Energy: 0.4506783528980026 Energy: 0.02279620658072454 Energy: 0.22408520758758485 minimum gb energy = -1.0564780743497197 eV minimum distance = 2.41975411715455 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: -2.8716169128561244 Energy: -2.0839711242903904 Energy: -1.8773049561825843 Energy: -1.990538193105085 Energy: -2.8716168983960153 Energy: -2.083971124293434 Energy: -2.2811534935403626 Energy: -2.7451750937653325 Energy: -2.276998085226429 Energy: -2.0412198668573 Energy: -3.884760862090766 Energy: -2.7451754678844074 Energy: -2.276998081563464 Energy: -2.041219866820776 Energy: -2.749004590364526 Energy: -2.4613961008730434 Energy: -2.1541600941957846 Energy: -3.253911071753589 Energy: -2.749004590376701 Energy: -2.461396100842662 Energy: -2.1541600944209045 Energy: -2.3294143295134617 Energy: -2.6633691248261187 Energy: -2.3788702917096494 Energy: -2.308207246972326 Energy: 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Energy: -0.774603481857237 Energy: -0.6181644283195437 Energy: -0.7746034818557985 Energy: -0.8385570619404292 Energy: -0.6181644283195437 Energy: -0.7746034818543603 Energy: -0.8385570621474577 Energy: -0.7746034818557985 Energy: -0.6181644283195437 Energy: -0.7746034818550794 Energy: -0.8959865744797283 minimum gb energy = -2.5047350667649635 eV minimum distance = 2.34166252972465 Angstroms sigma value = 23