# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kumar-A-Chernatynskiy-A-Liang-T-et-al--Al-Ni # implementation = 2015--Kumar-A--Al-Ni--LAMMPS--ipr1 # composition = Al2Ni # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 1.534595194e+01 1.68 1.290017987e+01 1.70 1.076811982e+01 1.72 8.999344669e+00 1.74 7.602124676e+00 1.76 6.544538068e+00 1.78 5.590881717e+00 1.80 4.728157474e+00 1.82 3.967105933e+00 1.84 3.305663188e+00 1.86 2.728652045e+00 1.88 2.191372231e+00 1.90 1.669128991e+00 1.92 1.168165580e+00 1.94 6.974553586e-01 1.96 2.639855728e-01 1.98 -1.287064763e-01 2.00 -4.807521486e-01 2.02 -7.950577531e-01 2.04 -1.075826142e+00 2.06 -1.327774996e+00 2.08 -1.558507666e+00 2.10 -1.790142995e+00 2.12 -2.042635392e+00 2.14 -2.295576527e+00 2.16 -2.527081219e+00 2.18 -2.721021068e+00 2.20 -2.871580945e+00 2.22 -2.983720323e+00 2.24 -3.069511660e+00 2.26 -3.142099921e+00 2.28 -3.208527770e+00 2.30 -3.266873497e+00 2.32 -3.317403857e+00 2.34 -3.360593343e+00 2.36 -3.396892680e+00 2.38 -3.426729919e+00 2.40 -3.450511480e+00 2.42 -3.468623152e+00 2.44 -3.481431048e+00 2.46 -3.489282522e+00 2.48 -3.492507035e+00 2.50 -3.491416995e+00 2.52 -3.486308551e+00 2.54 -3.477462359e+00 2.56 -3.465144304e+00 2.58 -3.449606201e+00 2.60 -3.431086459e+00 2.62 -3.409810711e+00 2.64 -3.385992430e+00 2.66 -3.359833500e+00 2.68 -3.331524774e+00 2.70 -3.301246603e+00 2.72 -3.269169338e+00 2.74 -3.235453816e+00 2.76 -3.200251819e+00 2.78 -3.163706512e+00 2.80 -3.125952865e+00 2.82 -3.087118054e+00 2.84 -3.047321842e+00 2.86 -3.006676946e+00 2.88 -2.965289384e+00 2.90 -2.923258807e+00 2.92 -2.880678819e+00 2.94 -2.837637280e+00 2.96 -2.787908200e+00 2.98 -2.718037054e+00 3.00 -2.629076929e+00 3.02 -2.523297790e+00 3.04 -2.403804826e+00 3.06 -2.271266545e+00 3.08 -2.110243842e+00 3.10 -1.922957305e+00 3.12 -1.716195165e+00 3.14 -1.497965126e+00 3.16 -1.277302676e+00 3.18 -1.063852000e+00 3.20 -8.672367805e-01 3.22 -6.878696711e-01 3.24 -5.154952887e-01 3.26 -3.575345156e-01 3.28 -2.216944361e-01 3.30 -1.146443899e-01 3.32 -4.135073694e-02 3.34 -4.549319631e-03 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00