Model name: model_name=EAM_Dynamo_Mendelev_2003_Fe__MO_546673549085_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=3.6583648025989532 cohesive_energy=4.00235933894197 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: 0.017065279269476586 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.017065279269476586 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926806514 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926806514 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049230553 Energy: 0.06519813135242267 Energy: 0.48679033031666036 Energy: -0.11017866602091522 Energy: -0.11017866601809236 Energy: -0.6876243774816267 Energy: -0.1101786660195038 Energy: -0.1101786660195038 Energy: -0.6876120636365135 Energy: -0.1101786660195038 Energy: -0.11017866602091522 Energy: -0.68269802886426 Energy: 0.06519813135242267 Energy: 0.06216824049371697 Energy: 0.022039480379417 Energy: 0.06519813135242267 Energy: 0.06216824049371697 Energy: 0.022039480379417 Energy: 0.06519813135242267 Energy: 0.06216824049371697 Energy: 0.022039480379417 Energy: 0.06519813135242267 Energy: 0.01706527926524225 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926524225 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926524225 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926524225 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: -0.685636211440331 Energy: -0.11017866601809236 Energy: -0.11017866601809236 Energy: -0.7320161878333622 Energy: -0.11017866602091522 Energy: -0.1101786660195038 Energy: -0.7314431416470475 Energy: -0.11017866602232669 Energy: -0.11017866602232669 Energy: -0.6860275371752433 minimum gb energy = -0.7320161878333622 eV minimum distance = 2.35076649601719 Angstroms sigma value = 3 ======================================== theta = 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