Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.860342010855675 cohesive_energy=4.301279955555746 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.2179033206569395e-19, -7.991384680364219e-19, -5.04464539334508e-19, 1.312636079233422e-19, 4.3652904569964e-19, 5.05057344689088e-19, 5.12401722379344e-19, 5.211496068009839e-19, 5.34796947369396e-19, 5.49897462144846e-19, 5.66563303491714e-19, 5.84767234407222e-19, 6.03278783236458e-19, 6.206816258349659e-19, 6.36094565054046e-19, 6.492131873332379e-19, 6.60082353618294e-19, 6.6887349680905195e-19, 6.757997063978339e-19, 6.81048437050818e-19, 6.84776702078136e-19, 6.872296345047899e-19, 6.88625130353004e-19, 6.89086557223596e-19, 6.88570656347448e-19, 6.868611338789699e-19, 6.836487697278001e-19, 6.785089870859279e-19, 6.708906371912579e-19, 6.60197710335942e-19, 6.459239187036359e-19, 6.27744020437638e-19, 6.05569895823078e-19, 5.796130321756439e-19, 5.49964753563474e-19, 5.163751204316639e-19, 4.79404894602114e-19, 4.43174874377472e-19, 4.24895641160166e-19, 4.68441199895652e-19, 6.58172559070566e-19, 1.10844187158339e-18, 1.9384574877102598e-18] 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: 0.014989941184444371 Energy: -1.1459962045814567