Model name: model_name=EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5192944586277033 cohesive_energy=4.450092203858591 mass=58.6934 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=[2.27094118279794e-19, 3.1441434700942797e-19, 3.73960843788672e-19, 4.19856795646236e-19, 4.576040771432759e-19, 4.895450705187e-19, 5.15384975271852e-19, 5.37671252250792e-19, 5.58300878590176e-19, 5.78252784213378e-19, 5.97890663216316e-19, 6.1663773201075e-19, 6.339604657775579e-19, 6.496409684945159e-19, 6.635302377346619e-19, 6.75482475424302e-19, 6.85480057620462e-19, 6.9362231927445e-19, 7.00082295462738e-19, 7.05044236498236e-19, 7.086699622209779e-19, 7.11108475057926e-19, 7.124895513164339e-19, 7.12926945537516e-19, 7.12483142609898e-19, 7.111228946476319e-19, 7.08830179884378e-19, 7.05540911254776e-19, 7.01038794913236e-19, 6.94929695407794e-19, 6.86656055269818e-19, 6.756266713213619e-19, 6.61283986093794e-19, 6.429695049905399e-19, 6.197796003900239e-19, 5.904501549280199e-19, 5.5319954818752e-19, 5.05183916643174e-19, 4.419187678964159e-19, 3.56264802866142e-19, 2.36011833424638e-19, 5.877008198240759e-20, -2.17932872286582e-19, -6.79833987162246e-19, -1.518813781556346e-18, -3.1223218243391996e-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: 0.020489244330978533