Model name: model_name=EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_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=3.700475549697878 cohesive_energy=4.000384142553119 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: 0.01806561732579866 Energy: 0.3342979010132923 Energy: -0.64539510240848 Energy: 0.3342896677867574 Energy: 0.018065617326287395 Energy: 0.3342979010125864 Energy: 0.29663198299122906 Energy: 0.15918609951195364 Energy: -0.7346835256458184 Energy: -0.3244801228986379 Energy: -0.7383258131471411 Energy: 0.15918609951553772 Energy: -0.7359964866612708 Energy: -0.3244801099967441 Energy: 0.01806561732579866 Energy: 0.3342979010135367 Energy: -0.6431607403174887 Energy: 0.33428966778700175 Energy: 0.018065617326287395 Energy: 0.33429790101304796 Energy: 0.29663198299579063 Energy: 0.15918609951029736 Energy: -0.7445340540258599 Energy: -0.3244801145302485 Energy: -0.7351510080235559 Energy: 0.15918609951388143 Energy: -0.7344392659461373 Energy: -0.3244801276403977 Energy: 0.01806561732579866 Energy: 0.3342979010135367 Energy: 0.2966319829771372 Energy: 0.3342896677872461 Energy: 0.018065617326287395 Energy: 0.3342979010128036 Energy: 0.29663198296641224 Energy: 0.1591860995145874 Energy: -0.7359961652421156 Energy: -0.32448011937564714 Energy: -0.7406101769110356 Energy: 0.15918609951578208 Energy: -0.7451662840372479 Energy: -0.3244800808230755 minimum gb energy = -0.7451662840372479 eV minimum distance = 2.40423983159259 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: -1.247016411570828 Energy: -1.9578950140751818 Energy: -2.024481739610402 Energy: -1.8047652917935408 Energy: -1.1654081854416618 Energy: -1.9456674024373852 Energy: -1.985338297665975 Energy: -1.8968857761657414 Energy: -1.7643085114312256 Energy: -2.3988565072437487 Energy: -1.7970042028562032 Energy: -1.9832000882929912 Energy: -1.935492858886694 Energy: -2.3889819668856287 Energy: -2.0951925041957993 Energy: -2.911686901718635 Energy: -1.8288105817944167 Energy: -2.0257013467965317 Energy: -2.1513919094399934 Energy: -2.6502525321784933 Energy: -2.1521854223269936 Energy: -2.2634377935417023 Energy: -2.3859977927321494 Energy: -1.9384226555545063 Energy: -2.822535134682803 Energy: -2.2531546905205784 Energy: 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