Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_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=3.311687663197519 cohesive_energy=3.8792944251854573 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: 0.02197695072490323 Energy: -8.4022256519611 Energy: 0.27392731808807796 Energy: -8.697472635535446 Energy: 0.021976950725784667 Energy: -8.769800436650051 Energy: -0.3209122994498841 Energy: -0.14059198926573022 Energy: -0.1192379638740642 Energy: -0.20909085055179544 Energy: -0.11956942034370598 Energy: -0.1405919892672219 Energy: -0.11923796387525075 Energy: -0.20909085055267687 Energy: 0.02197695072490323 Energy: -8.42641979264214 Energy: -0.32091230954004785 Energy: -7.895292635551309 Energy: 0.021976950725479553 Energy: -8.7631006224094 Energy: -0.3209123527413994 Energy: -0.14059198926423858 Energy: -0.1192379638740642 Energy: -0.20909085055149032 Energy: -0.11956942034370598 Energy: -0.1405919892669168 Energy: -0.11923796387464052 Energy: -0.20909085055237175 Energy: 0.02197695072459812 Energy: -9.16998829388031 Energy: -0.3209124321758135 Energy: -8.365731380738247 Energy: 0.021976950725784667 Energy: -7.715352692189511 Energy: -0.3209123241795708 Energy: -0.14059198926393346 Energy: -0.1192379638740642 Energy: -0.20909085055206664 Energy: -0.11956942034550273 Energy: -0.14059198926481492 Energy: -0.11923796387525075 Energy: -0.20909085055267687 minimum gb energy = -9.16998829388031 eV minimum distance = 2.30838477532446 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: -6.839769731874463 Energy: -6.728860566608012 Energy: -6.846853423846144 Energy: -6.765414966477599 Energy: -6.839769732267891 Energy: -6.728860567362135 Energy: -6.771317345087497 Energy: -7.366726264073933 Energy: -7.295028282105898 Energy: -6.188774020448692 Energy: -7.4727246073152065 Energy: -7.36672621928223 Energy: -7.295028282113186 Energy: -6.188774020324837 Energy: -7.3856259237335165 Energy: -6.985688085092528 Energy: -6.879131903427003 Energy: -1.0178493284367764 Energy: -7.385608646302317 Energy: -6.985688085992374 Energy: -6.879131903412425 Energy: -7.368479220883744 Energy: -6.888058475491964 Energy: -6.392602958797127 Energy: -6.950978631940653 Energy: -7.328659850164407 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