Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.860341995954514 cohesive_energy=4.301279955559085 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: 0.01626908351845557 Energy: -2.970969575607769 Energy: 0.016269083518819123 Energy: 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-3.490832915034643 Energy: -3.800047078555623 Energy: -3.490832915034643 minimum gb energy = -3.867613720209953 eV minimum distance = 2.39768995372059 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: -4.126280522998116 Energy: -4.852168977031643 Energy: -4.126280522995184 Energy: -4.852168793870081 Energy: -4.126280522997627 Energy: -4.852153381683873 Energy: -4.126280522993718 Energy: -4.665197373889391 Energy: -4.649884063262931 Energy: -4.665197373956812 Energy: -4.649893650417649 Energy: -4.665197373884505 Energy: -4.650112088560404 Energy: -4.665197373945575 Energy: -5.015885842817095 Energy: -5.2357583514909125 Energy: -5.029180659002225 Energy: -5.235008446784085 Energy: -5.029038603651809 Energy: -5.235003286990599 Energy: -4.98808631724609 Energy: -4.70259779281323 Energy: -4.680722032565955 Energy: -4.70259798430457 Energy: -4.680722031988733 Energy: -4.702597955867412 Energy: 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