# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1985--Foiles-S-M--Ni-Cu # implementation = 1985--Foiles-S-M--Ni-Cu--LAMMPS--ipr1 # composition = CuNi2 # 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 4.015665907e+02 0.82 3.735946036e+02 0.84 3.482697911e+02 0.86 3.251538782e+02 0.88 3.039019308e+02 0.90 2.842353734e+02 0.92 2.659205541e+02 0.94 2.487905541e+02 0.96 2.327100645e+02 0.98 2.175727570e+02 1.00 2.032921811e+02 1.02 1.898022801e+02 1.04 1.770543073e+02 1.06 1.650085076e+02 1.08 1.536292374e+02 1.10 1.428795923e+02 1.12 1.327289537e+02 1.14 1.231484621e+02 1.16 1.141235495e+02 1.18 1.056284586e+02 1.20 9.764788661e+01 1.22 9.015566383e+01 1.24 8.313568342e+01 1.26 7.656465968e+01 1.28 7.041934203e+01 1.30 6.468341077e+01 1.32 5.933394477e+01 1.34 5.434933244e+01 1.36 4.971439174e+01 1.38 4.540889532e+01 1.40 4.141021782e+01 1.42 3.770121364e+01 1.44 3.426765650e+01 1.46 3.109105018e+01 1.48 2.815431435e+01 1.50 2.544372047e+01 1.52 2.294520439e+01 1.54 2.064404353e+01 1.56 1.852703703e+01 1.58 1.658124305e+01 1.60 1.479443951e+01 1.62 1.315345399e+01 1.64 1.164939871e+01 1.66 1.027103693e+01 1.68 9.009124208e+00 1.70 7.812232691e+00 1.72 6.747517762e+00 1.74 5.766255227e+00 1.76 4.862626036e+00 1.78 4.031649929e+00 1.80 3.271469274e+00 1.82 2.575952148e+00 1.84 1.939417320e+00 1.86 1.344148050e+00 1.88 8.099446196e-01 1.90 3.235917475e-01 1.92 -1.191158038e-01 1.94 -5.210193704e-01 1.96 -8.847260843e-01 1.98 -1.213929879e+00 2.00 -1.510755076e+00 2.02 -1.776683242e+00 2.04 -2.013648413e+00 2.06 -2.224883503e+00 2.08 -2.412447970e+00 2.10 -2.578916657e+00 2.12 -2.725184518e+00 2.14 -2.852892606e+00 2.16 -2.963683509e+00 2.18 -3.058829874e+00 2.20 -3.139568458e+00 2.22 -3.208591184e+00 2.24 -3.268318614e+00 2.26 -3.319277677e+00 2.28 -3.361966720e+00 2.30 -3.396858588e+00 2.32 -3.424403604e+00 2.34 -3.445031954e+00 2.36 -3.458883908e+00 2.38 -3.463887240e+00 2.40 -3.462921779e+00 2.42 -3.457830945e+00 2.44 -3.447876540e+00 2.46 -3.433361890e+00 2.48 -3.414596400e+00 2.50 -3.391878771e+00 2.52 -3.366002808e+00 2.54 -3.336960667e+00 2.56 -3.304760509e+00 2.58 -3.269651853e+00 2.60 -3.232442158e+00 2.62 -3.193092839e+00 2.64 -3.151502023e+00 2.66 -3.107889360e+00 2.68 -3.062463571e+00 2.70 -3.015422689e+00 2.72 -2.966954308e+00 2.74 -2.917235846e+00 2.76 -2.866434803e+00 2.78 -2.814709093e+00 2.80 -2.762207279e+00 2.82 -2.709068951e+00 2.84 -2.655424949e+00 2.86 -2.601397757e+00 2.88 -2.547101795e+00 2.90 -2.492671374e+00 2.92 -2.437496168e+00 2.94 -2.382125169e+00 2.96 -2.328699421e+00 2.98 -2.275415171e+00 3.00 -2.222028636e+00 3.02 -2.168567258e+00 3.04 -2.115612215e+00 3.06 -2.063385658e+00 3.08 -2.011633043e+00 3.10 -1.960407787e+00 3.12 -1.909752341e+00 3.14 -1.859705320e+00 3.16 -1.810301490e+00 3.18 -1.761571016e+00 3.20 -1.713542075e+00 3.22 -1.666237424e+00 3.24 -1.619679385e+00 3.26 -1.573884211e+00 3.28 -1.528869046e+00 3.30 -1.484644953e+00 3.32 -1.441223041e+00 3.34 -1.398613008e+00 3.36 -1.356817541e+00 3.38 -1.315842550e+00 3.40 -1.275699888e+00 3.42 -1.236376248e+00 3.44 -1.197856399e+00 3.46 -1.160092428e+00 3.48 -1.122962494e+00 3.50 -1.086519556e+00 3.52 -1.050906963e+00 3.54 -1.016147409e+00 3.56 -9.821863517e-01 3.58 -9.490137432e-01 3.60 -9.166353899e-01 3.62 -8.850559097e-01 3.64 -8.542634672e-01 3.66 -8.241197104e-01 3.68 -7.946559279e-01 3.70 -7.659394620e-01 3.72 -7.380185612e-01 3.74 -7.109319270e-01 3.76 -6.847065840e-01 3.78 -6.593555918e-01 3.80 -6.350030615e-01 3.82 -6.114987144e-01 3.84 -5.886471539e-01 3.86 -5.663012456e-01 3.88 -5.442959307e-01 3.90 -5.225731839e-01 3.92 -5.011236407e-01 3.94 -4.799492931e-01 3.96 -4.590602398e-01 3.98 -4.384720860e-01 4.00 -4.182267864e-01 4.02 -3.983066749e-01 4.04 -3.786581021e-01 4.06 -3.593152239e-01 4.08 -3.403109978e-01 4.10 -3.216763282e-01 4.12 -3.034394740e-01 4.14 -2.856265318e-01 4.16 -2.685973804e-01 4.18 -2.543778835e-01 4.20 -2.404326058e-01 4.22 -2.268082695e-01 4.24 -2.135283048e-01 4.26 -2.006476464e-01 4.28 -1.882056782e-01 4.30 -1.762291084e-01 4.32 -1.647343745e-01 4.34 -1.537296487e-01 4.36 -1.432165068e-01 4.38 -1.331913136e-01 4.40 -1.236463695e-01 4.42 -1.145708566e-01 4.44 -1.059516161e-01 4.46 -9.777378460e-02 4.48 -9.002131338e-02 4.50 -8.267738770e-02 4.52 -7.572476484e-02 4.54 -6.914604397e-02 4.56 -6.292387943e-02 4.58 -5.704114735e-02 4.60 -5.148107378e-02 4.62 -4.622733130e-02 4.64 -4.126410979e-02 4.66 -3.657616621e-02 4.68 -3.214885751e-02 4.70 -2.796815976e-02 4.72 -2.402067657e-02 4.74 -2.029363878e-02 4.76 -1.677489761e-02 4.78 -1.345361808e-02 4.80 -1.035978470e-02 4.82 -8.688977317e-03 4.84 -7.145594512e-03 4.86 -5.683688396e-03 4.88 -4.298582323e-03 4.90 -2.986308225e-03 4.92 -1.743097800e-03 4.94 -5.654325280e-04 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