Model name: model_name=EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.519999861717225 cohesive_energy=4.450349981660022 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.87408203055614e-19, 2.78051346124164e-19, 3.46228768430766e-19, 4.0112094208824e-19, 4.46851869752502e-19, 4.85728685776512e-19, 5.192045643673079e-19, 5.482680485080679e-19, 5.73632106800922e-19, 5.958318662416259e-19, 6.15282290578386e-19, 6.323118260211719e-19, 6.47180025184692e-19, 6.60114397150974e-19, 6.712943857030259e-19, 6.80878606327614e-19, 6.890000396853599e-19, 6.957724403172779e-19, 7.0129674535131e-19, 7.05661074502326e-19, 7.08943934425392e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11028366226226e-19, 7.083543334240799e-19, 7.04281600420452e-19, 6.985666363669739e-19, 6.909210494695259e-19, 6.80998769575164e-19, 6.683864351123159e-19, 6.52579360441272e-19, 6.32970320617746e-19, 6.08809496977026e-19, 5.791788423078299e-19, 5.429360046701159e-19, 4.98651842506356e-19, 4.44512691866862e-19, 3.7823224669491594e-19, 2.96814436684938e-19, 1.9637879002938e-19, 7.176373448414759e-20, -8.397232043522759e-20, -2.7990826884297e-19, -5.29458494824908e-19] 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: 0.02217033058230197 Energy: 0.02273631603614504 Energy: 0.5072996976070646 Energy: 1.2866420706101518 Energy: 1.1989487338592202 Energy: 0.4224625537944065 Energy: 0.022758519943831882 Energy: 0.023231366663777453 Energy: 1.2011973011545787 Energy: 0.3393262686338141 Energy: 0.3393262686338141 Energy: 0.3393262686338141 Energy: 0.0240404000039137 Energy: 0.13541501144751908 Energy: 0.022807923608163486 Energy: 0.9896720497204005 Energy: 0.9896720497204005 Energy: 0.5069064438418707 Energy: 0.5099494534539556 Energy: 0.5099494534539556 Energy: 0.13530978099635813 Energy: 0.02592613684446064 Energy: 0.02592613684446064 Energy: 0.5092115876428405 Energy: 1.2866597165317692 Energy: 1.1985001829317417 Energy: 0.13367530765184493 Energy: 0.023528844404176835 Energy: 0.023528844404176835 Energy: 1.2012216074390065 Energy: 0.33894389955655857 Energy: 0.33894389955655857 Energy: 0.33894389955655857 Energy: 0.023313899508649333 Energy: 0.1356693519844534 Energy: 0.02266884201454695 Energy: 0.02266884201454695 Energy: 0.02266884201454695 Energy: 0.506646148219722 Energy: 1.0507502971456324 Energy: 0.13305454959534704 Energy: 0.13305454959534704 minimum gb energy = 0.02217033058230197 eV minimum distance = 2.4653741917661 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.6662464877089713