Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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=3.605663573741914 cohesive_energy=4.1815964231097436 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: 0.019893456985193354 Energy: 0.3425356386850496 Energy: 0.7434300740965063 Energy: 0.3427446178491503 Energy: 0.019893456985193354 Energy: 0.34253563868556436 Energy: 0.30141920366445335 Energy: 0.3320075930715721 Energy: 0.0386661195967018 Energy: 0.20954073948646598 Energy: 0.038878414526274066 Energy: 0.33200759306908406 Energy: 0.03866611959921848 Energy: 0.2095407394857224 Energy: 0.019893456985193354 Energy: 0.34253563868582176 Energy: -1.8787495525719273 Energy: 0.34274461784992244 Energy: 0.019893456985193354 Energy: 0.34253563868556436 Energy: 0.30141920366697 Energy: 0.3320075930715721 Energy: 0.03866611960173516 Energy: 0.20954073948672336 Energy: 0.038878414526274066 Energy: 0.33200759306908406 Energy: 0.03866611959921848 Energy: 0.209540739485465 Energy: 0.019893456985193354 Energy: 0.34253563868530706 Energy: 0.34465520800965393 Energy: 0.3427446178501512 Energy: 0.019893456985193354 Energy: 0.3425356386850496 Energy: 0.30141920366445335 Energy: 0.3320075930715721 Energy: 0.03866611959921848 Energy: 0.20954073948646598 Energy: 0.038878414526274066 Energy: 0.33200759306908406 Energy: 0.03866611960173516 Energy: 0.2095407394859512 minimum gb energy = -1.8787495525719273 eV minimum distance = 2.52984670210426 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: -3.9152948777663164 Energy: -5.25465593668496 Energy: -4.050369933961008 Energy: -5.255513381409602 Energy: -4.509116611900827 Energy: -5.318569459773604 Energy: -4.156457119863076 Energy: -3.723084717216887 Energy: -3.796876863207438 Energy: -4.779000799974267 Energy: -7.526927787035883 Energy: -3.8167590642204705 Energy: -4.324802662388079 Energy: -5.260533770008495 Energy: -4.046523383696236 Energy: -6.2324969655450975 Energy: -3.6677620955926957 Energy: -8.742110606837743 Energy: -3.7941851020080146 Energy: -6.255119074406998 Energy: -3.593264866682506 Energy: -5.763714054259932 Energy: -5.591969612380324 Energy: -4.776009232093853 Energy: -6.548028733153249 Energy: 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