Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] 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=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: 0.018226466944608086 Energy: 0.31857504368100353 Energy: 0.31857504368100353 Energy: 0.018226466944608086 Energy: 0.31857504368100353 Energy: 0.31857504367956513 Energy: 0.018226466944608086 Energy: 0.31857504368100353 Energy: 0.31857504368100353 Energy: 0.018226466944608086 Energy: 0.3146177816848491 Energy: 0.018007616366930046 Energy: 0.31495515503621957 Energy: 0.3146177816848491 Energy: 0.018007616366930046 Energy: 0.3149551730798638 Energy: 0.3146177816848491 Energy: 0.018007616366930046 Energy: 0.31495514937871627 Energy: 0.3146177816848491 Energy: -1.0598706226570547 Energy: -1.5272290078654698 Energy: -0.7573608631988845 Energy: -1.0699419104063774 Energy: -1.527229007800775 Energy: -0.7573608631428205 Energy: -1.093647162645025 Energy: -0.7573608630694959 Energy: -0.7573608630968252 Energy: -1.661228786673968 Energy: 0.3146177816848491 Energy: 0.31495515278329345 Energy: 0.018007616366930046 Energy: 0.31461778168628746 Energy: 0.31495516175910376 Energy: 0.018007616366930046 Energy: 0.3146177816848491 Energy: 0.31495516785943156 Energy: 0.018007616366930046 Energy: 0.31461778168628746 Energy: 0.018226466944608086 Energy: 0.31857504368100353 Energy: 0.31857504368100353 Energy: 0.018226466944608086 Energy: 0.31857504367956513 Energy: 0.31857504367956513 Energy: 0.018226466944608086 Energy: 0.31857504367956513 Energy: 0.31857504367956513 Energy: 0.018226466944608086 Energy: 0.3146177816848491 Energy: 0.018007616366930046 Energy: 0.31495515829127063 Energy: 0.31461778168628746 Energy: 0.018007616366930046 Energy: 0.31495516441173577 Energy: 0.3146177816848491 Energy: 0.018007616366930046 Energy: 0.3149551602652821 Energy: 0.3146177816848491 Energy: -1.680396162037036 Energy: 0.007935774604845227 Energy: 0.1903190363866747 Energy: -1.6809322815739778 Energy: 0.007935774604845227 Energy: 0.1903190363866747 Energy: -1.6630309319569165 Energy: 0.007935774604845227 Energy: -1.4411864141088164 Energy: -1.724117717827366 minimum gb energy = -1.724117717827366 eV minimum distance = 2.37836456988484 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -3.8022137183140923 Energy: -2.7462069021763083 Energy: -3.0565016287664 Energy: -2.614280679506427 Energy: -2.7462069021773337 Energy: -3.0565016288192495 Energy: -3.802213716127088 Energy: -2.746206902176629 Energy: -3.056501629065752 Energy: -2.614280679503993 Energy: -1.5358087759991816 Energy: -3.074233591896137 Energy: -2.517098090398559 Energy: -1.535808775999502 Energy: -3.074233591705943 Energy: -2.517098090395036 Energy: -1.5358087759977723 Energy: -3.074233591413638 Energy: -2.5170980904056064 Energy: -1.535808775999502 Energy: -2.387455227063701 Energy: -1.8304441574919639 Energy: -2.0163880430410743 Energy: -2.47986336694264 Energy: -1.830444159722273 Energy: -2.0163086086831083 Energy: -2.3874496066365474 Energy: -1.8304441583622173 Energy: -2.0163671233782 Energy: -2.4798633616389294 Energy: -2.7462126602474126 Energy: -2.6592988400600404 Energy: 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