# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--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 3.469536019e+02 0.82 3.217696374e+02 0.84 2.990855259e+02 0.86 2.784701076e+02 0.88 2.595917991e+02 0.90 2.421851184e+02 0.92 2.260271755e+02 0.94 2.109595070e+02 0.96 1.968488201e+02 0.98 1.835974435e+02 1.00 1.711246361e+02 1.02 1.593672357e+02 1.04 1.482802582e+02 1.06 1.378258559e+02 1.08 1.279708719e+02 1.10 1.186819783e+02 1.12 1.099321376e+02 1.14 1.016940441e+02 1.16 9.395408134e+01 1.18 8.669039988e+01 1.20 7.988897012e+01 1.22 7.352335961e+01 1.24 6.758133538e+01 1.26 6.204127697e+01 1.28 5.688258844e+01 1.30 5.208924568e+01 1.32 4.764000533e+01 1.34 4.351582282e+01 1.36 3.970175008e+01 1.38 3.617870265e+01 1.40 3.292766698e+01 1.42 2.993221632e+01 1.44 2.717870435e+01 1.46 2.464935151e+01 1.48 2.232900508e+01 1.50 2.020563309e+01 1.52 1.826591991e+01 1.54 1.649617241e+01 1.56 1.488462276e+01 1.58 1.341944717e+01 1.60 1.203732733e+01 1.62 1.079626593e+01 1.64 9.640149750e+00 1.66 8.564124477e+00 1.68 7.545413992e+00 1.70 6.612479357e+00 1.72 5.739085093e+00 1.74 4.924654727e+00 1.76 4.165460264e+00 1.78 3.458742231e+00 1.80 2.802415677e+00 1.82 2.193710381e+00 1.84 1.629965943e+00 1.86 1.108565169e+00 1.88 6.266663268e-01 1.90 1.829298323e-01 1.92 -2.258371868e-01 1.94 -6.014557794e-01 1.96 -9.456532724e-01 1.98 -1.261136171e+00 2.00 -1.549224419e+00 2.02 -1.811224637e+00 2.04 -2.048798762e+00 2.06 -2.263518492e+00 2.08 -2.456893908e+00 2.10 -2.630669883e+00 2.12 -2.784929488e+00 2.14 -2.921009161e+00 2.16 -3.041212940e+00 2.18 -3.146463016e+00 2.20 -3.237757340e+00 2.22 -3.316074169e+00 2.24 -3.382335973e+00 2.26 -3.437412084e+00 2.28 -3.482121252e+00 2.30 -3.517234089e+00 2.32 -3.543475455e+00 2.34 -3.561420883e+00 2.36 -3.571447027e+00 2.38 -3.574562362e+00 2.40 -3.571326494e+00 2.42 -3.562771845e+00 2.44 -3.548842693e+00 2.46 -3.530004375e+00 2.48 -3.506704425e+00 2.50 -3.478248810e+00 2.52 -3.446301122e+00 2.54 -3.411288873e+00 2.56 -3.373312075e+00 2.58 -3.332674160e+00 2.60 -3.290551750e+00 2.62 -3.246555048e+00 2.64 -3.200627517e+00 2.66 -3.153001118e+00 2.68 -3.103081948e+00 2.70 -3.051629230e+00 2.72 -2.999145943e+00 2.74 -2.945806165e+00 2.76 -2.891766064e+00 2.78 -2.837169926e+00 2.80 -2.782150897e+00 2.82 -2.726831737e+00 2.84 -2.671325438e+00 2.86 -2.615735882e+00 2.88 -2.560158390e+00 2.90 -2.504680313e+00 2.92 -2.449381542e+00 2.94 -2.394354827e+00 2.96 -2.340725906e+00 2.98 -2.287411545e+00 3.00 -2.234484616e+00 3.02 -2.181998488e+00 3.04 -2.130298876e+00 3.06 -2.079495340e+00 3.08 -2.029235687e+00 3.10 -1.979543174e+00 3.12 -1.930508530e+00 3.14 -1.882158504e+00 3.16 -1.834206924e+00 3.18 -1.786613229e+00 3.20 -1.739653694e+00 3.22 -1.693439151e+00 3.24 -1.647875755e+00 3.26 -1.602888947e+00 3.28 -1.558611167e+00 3.30 -1.515156587e+00 3.32 -1.472511746e+00 3.34 -1.430659418e+00 3.36 -1.389609117e+00 3.38 -1.349361247e+00 3.40 -1.309907644e+00 3.42 -1.271250392e+00 3.44 -1.233394541e+00 3.46 -1.196319859e+00 3.48 -1.160020861e+00 3.50 -1.124502664e+00 3.52 -1.089768324e+00 3.54 -1.055786623e+00 3.56 -1.022538441e+00 3.58 -9.900348391e-01 3.60 -9.582791220e-01 3.62 -9.272733664e-01 3.64 -8.969768052e-01 3.66 -8.672103943e-01 3.68 -8.380659042e-01 3.70 -8.096124635e-01 3.72 -7.818963137e-01 3.74 -7.550029289e-01 3.76 -7.289949461e-01 3.78 -7.039164789e-01 3.80 -6.799654518e-01 3.82 -6.570339773e-01 3.84 -6.348753969e-01 3.86 -6.132729201e-01 3.88 -5.919897857e-01 3.90 -5.708572941e-01 3.92 -5.497619234e-01 3.94 -5.286337302e-01 3.96 -5.074367546e-01 3.98 -4.861611192e-01 4.00 -4.648165534e-01 4.02 -4.434260607e-01 4.04 -4.219306417e-01 4.06 -4.004093970e-01 4.08 -3.790064244e-01 4.10 -3.578897761e-01 4.12 -3.371962969e-01 4.14 -3.170311199e-01 4.16 -2.977302836e-01 4.18 -2.810396002e-01 4.20 -2.648787448e-01 4.22 -2.493410643e-01 4.24 -2.344342293e-01 4.26 -2.201590227e-01 4.28 -2.065106826e-01 4.30 -1.934800316e-01 4.32 -1.810544252e-01 4.34 -1.692185455e-01 4.36 -1.579550619e-01 4.38 -1.472451809e-01 4.40 -1.370691006e-01 4.42 -1.274063837e-01 4.44 -1.182362632e-01 4.46 -1.095378906e-01 4.48 -1.012905344e-01 4.50 -9.347373942e-02 4.52 -8.606745151e-02 4.54 -7.905211294e-02 4.56 -7.240873510e-02 4.58 -6.611895108e-02 4.60 -6.016505214e-02 4.62 -5.453001093e-02 4.64 -4.919749372e-02 4.66 -4.415186397e-02 4.68 -3.937817879e-02 4.70 -3.486217984e-02 4.72 -3.059027983e-02 4.74 -2.654954571e-02 4.76 -2.272767927e-02 4.78 -1.911299599e-02 4.80 -1.569440257e-02 4.82 -1.321334670e-02 4.84 -1.086370043e-02 4.86 -8.638607553e-03 4.88 -6.531556208e-03 4.90 -4.536364093e-03 4.92 -2.647163884e-03 4.94 -8.583888896e-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