# 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 = Ag2Ni # 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 4.078496253e+02 0.90 3.728703454e+02 0.92 3.417383546e+02 0.94 3.139301850e+02 0.96 2.890031468e+02 0.98 2.665736698e+02 1.00 2.463188763e+02 1.02 2.279645741e+02 1.04 2.112715474e+02 1.06 1.960373027e+02 1.08 1.820886645e+02 1.10 1.692737051e+02 1.12 1.574676174e+02 1.14 1.465624497e+02 1.16 1.364672914e+02 1.18 1.270984438e+02 1.20 1.183892020e+02 1.22 1.102797130e+02 1.24 1.027184070e+02 1.26 9.565912781e+01 1.28 8.906093259e+01 1.30 8.288888000e+01 1.32 7.711258529e+01 1.34 7.170358847e+01 1.36 6.663788556e+01 1.38 6.189359094e+01 1.40 5.745025163e+01 1.42 5.328722633e+01 1.44 4.938903243e+01 1.46 4.574027711e+01 1.48 4.232570030e+01 1.50 3.913207544e+01 1.52 3.614703393e+01 1.54 3.335805202e+01 1.56 3.075427799e+01 1.58 2.832497887e+01 1.60 2.606001735e+01 1.62 2.394778277e+01 1.64 2.198113476e+01 1.66 2.015181615e+01 1.68 1.845174337e+01 1.70 1.683027932e+01 1.72 1.536216706e+01 1.74 1.399742116e+01 1.76 1.272953806e+01 1.78 1.155240914e+01 1.80 1.043458820e+01 1.82 9.406166555e+00 1.84 8.437558820e+00 1.86 7.526568638e+00 1.88 6.671097882e+00 1.90 5.869083232e+00 1.92 5.117683419e+00 1.94 4.415005012e+00 1.96 3.759177856e+00 1.98 3.147668159e+00 2.00 2.578597091e+00 2.02 2.049840766e+00 2.04 1.559296400e+00 2.06 1.104923502e+00 2.08 6.850393305e-01 2.10 2.977398283e-01 2.12 -5.918152613e-02 2.14 -3.874675486e-01 2.16 -6.889419321e-01 2.18 -9.651411387e-01 2.20 -1.217194351e+00 2.22 -1.446950017e+00 2.24 -1.655716109e+00 2.26 -1.844775160e+00 2.28 -2.015378360e+00 2.30 -2.168712194e+00 2.32 -2.305900699e+00 2.34 -2.427811355e+00 2.36 -2.535538187e+00 2.38 -2.630172010e+00 2.40 -2.712605923e+00 2.42 -2.783742302e+00 2.44 -2.844322519e+00 2.46 -2.894989922e+00 2.48 -2.936531135e+00 2.50 -2.969645840e+00 2.52 -2.995457582e+00 2.54 -3.014265588e+00 2.56 -3.026366151e+00 2.58 -3.032283863e+00 2.60 -3.032511427e+00 2.62 -3.027511152e+00 2.64 -3.017716588e+00 2.66 -3.003534081e+00 2.68 -2.985344276e+00 2.70 -2.963503383e+00 2.72 -2.938345929e+00 2.74 -2.909554530e+00 2.76 -2.878038361e+00 2.78 -2.844139909e+00 2.80 -2.808154737e+00 2.82 -2.770236277e+00 2.84 -2.730610962e+00 2.86 -2.689207770e+00 2.88 -2.646483891e+00 2.90 -2.602648215e+00 2.92 -2.557969357e+00 2.94 -2.512483064e+00 2.96 -2.466722032e+00 2.98 -2.420391034e+00 3.00 -2.373612964e+00 3.02 -2.326501038e+00 3.04 -2.279159776e+00 3.06 -2.231685678e+00 3.08 -2.184167674e+00 3.10 -2.136687153e+00 3.12 -2.089318977e+00 3.14 -2.042132424e+00 3.16 -1.995189401e+00 3.18 -1.948548003e+00 3.20 -1.902259858e+00 3.22 -1.856372538e+00 3.24 -1.810928805e+00 3.26 -1.765967794e+00 3.28 -1.721522472e+00 3.30 -1.677627923e+00 3.32 -1.634304233e+00 3.34 -1.591580654e+00 3.36 -1.549518386e+00 3.38 -1.508051128e+00 3.40 -1.467068750e+00 3.42 -1.426884254e+00 3.44 -1.387386044e+00 3.46 -1.348582757e+00 3.48 -1.310469986e+00 3.50 -1.273025455e+00 3.52 -1.236247249e+00 3.54 -1.200168703e+00 3.56 -1.164817518e+00 3.58 -1.130214265e+00 3.60 -1.096056324e+00 3.62 -1.062396884e+00 3.64 -1.029472529e+00 3.66 -9.974572224e-01 3.68 -9.664636124e-01 3.70 -9.365738102e-01 3.72 -9.079000015e-01 3.74 -8.806826697e-01 3.76 -8.544348907e-01 3.78 -8.287175386e-01 3.80 -8.032312015e-01 3.82 -7.777807089e-01 3.84 -7.522482853e-01 3.86 -7.264771303e-01 3.88 -7.004576510e-01 3.90 -6.742704948e-01 3.92 -6.480050520e-01 3.94 -6.217385592e-01 3.96 -5.954685939e-01 3.98 -5.694339974e-01 4.00 -5.439442382e-01 4.02 -5.191471762e-01 4.04 -4.950191078e-01 4.06 -4.715436213e-01 4.08 -4.487100685e-01 4.10 -4.265119843e-01 4.12 -4.049457891e-01 4.14 -3.840097298e-01 4.16 -3.637030265e-01 4.18 -3.440252037e-01 4.20 -3.249755856e-01 4.22 -3.065528995e-01 4.24 -2.887168852e-01 4.26 -2.714714403e-01 4.28 -2.548686741e-01 4.30 -2.389426471e-01 4.32 -2.237128801e-01 4.34 -2.091872842e-01 4.36 -1.953645787e-01 4.38 -1.822362955e-01 4.40 -1.697884292e-01 4.42 -1.580027957e-01 4.44 -1.468581350e-01 4.46 -1.363310139e-01 4.48 -1.263965584e-01 4.50 -1.170290386e-01 4.52 -1.082023353e-01 4.54 -9.989030927e-02 4.56 -9.206709473e-02 4.58 -8.470731790e-02 4.60 -7.778626475e-02 4.62 -7.128000538e-02 4.64 -6.516548244e-02 4.66 -5.942056770e-02 4.68 -5.402409646e-02 4.70 -4.895588629e-02 4.72 -4.419673632e-02 4.74 -3.972841787e-02 4.76 -3.553365641e-02 4.78 -3.160119420e-02 4.80 -2.791248238e-02 4.82 -2.590701480e-02 4.84 -2.413324602e-02 4.86 -2.246772946e-02 4.88 -2.090413979e-02 4.90 -1.943640250e-02 4.92 -1.805878080e-02 4.94 -1.676586166e-02 4.96 -1.555254123e-02 4.98 -1.441401017e-02 5.00 -1.334573911e-02 5.02 -1.234346440e-02 5.04 -1.140317412e-02 5.06 -1.052109436e-02 5.08 -9.693676097e-03 5.10 -8.917582574e-03 5.12 -8.189677324e-03 5.14 -7.507012593e-03 5.16 -6.866818310e-03 5.18 -6.266491690e-03 5.20 -5.703587393e-03 5.22 -5.175808242e-03 5.24 -4.680996327e-03 5.26 -4.217124667e-03 5.28 -3.782289365e-03 5.30 -3.374702257e-03 5.32 -2.992683942e-03 5.34 -2.634657182e-03 5.36 -2.299140733e-03 5.38 -1.984743564e-03 5.40 -1.690159435e-03 5.42 -1.414161750e-03 5.44 -1.155598714e-03 5.46 -9.133888186e-04 5.48 -6.865166044e-04 5.50 -4.740286843e-04 5.52 -2.750299565e-04 5.54 -8.748808550e-05 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