Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Mo Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=3.150153368711472 cohesive_energy=6.8105384573284145 mass=95.95 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=[3.95090349237864e-21, 3.16369002502908e-20, 1.0797388771852798e-19, 2.3108994680499e-19, 3.69497179686348e-19, 4.95683009203554e-19, 6.0077618333415e-19, 6.865535159652419e-19, 7.572767969432699e-19, 8.16592580287218e-19, 8.669826376031519e-19, 9.100026824026858e-19, 9.466364511390958e-19, 9.775937080612439e-19, 1.0034784737601478e-18, 1.02486432747078e-18, 1.04231203101504e-18, 1.0563599157419519e-18, 1.06750625858469e-18, 1.076209282060578e-18, 1.082821465029096e-18, 1.087459766384526e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.0869999416905678e-18, 1.081334645112744e-18, 1.072679686935876e-18, 1.060669770887412e-18, 1.0448691049229039e-18, 1.02472013157372e-18, 9.99561151890018e-19, 9.685846688482618e-19, 9.307957307587379e-19, 8.849462420235598e-19, 8.29466069541408e-19, 7.6236370775622e-19, 6.810997067031059e-19, 5.824536913477259e-19, 4.623064655640659e-19, 3.15359631223488e-19, 1.3463763169688279e-19, -8.944920104089319e-20, -3.7107051714093597e-19, -7.32672170374932e-19, -1.2103659403319339e-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: -9.5367431640625e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.01956639011847469