# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Mo # implementation = 2017--Kim-J-S--Pt-Mo--LAMMPS--ipr1 # composition = MoPt2 # 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 5.428388150e+02 0.86 5.108726239e+02 0.88 4.806173411e+02 0.90 4.519883597e+02 0.92 4.249049301e+02 0.94 3.992900015e+02 0.96 3.750700694e+02 0.98 3.521750270e+02 1.00 3.305380233e+02 1.02 3.100953251e+02 1.04 2.907861844e+02 1.06 2.725527112e+02 1.08 2.553397498e+02 1.10 2.390947610e+02 1.12 2.237677082e+02 1.14 2.093109477e+02 1.16 1.956791236e+02 1.18 1.828290673e+02 1.20 1.707196996e+02 1.22 1.593119381e+02 1.24 1.485686076e+02 1.26 1.384543543e+02 1.28 1.289355634e+02 1.30 1.199802804e+02 1.32 1.115581351e+02 1.34 1.036402693e+02 1.36 9.619926730e+01 1.38 8.920908899e+01 1.40 8.264500643e+01 1.42 7.648354257e+01 1.44 7.070241279e+01 1.46 6.528046293e+01 1.48 6.019759966e+01 1.50 5.543476445e+01 1.52 5.097389055e+01 1.54 4.679785418e+01 1.56 4.289042811e+01 1.58 3.923623743e+01 1.60 3.582071749e+01 1.62 3.263007382e+01 1.64 2.965124400e+01 1.66 2.687186129e+01 1.68 2.428022007e+01 1.70 2.186524282e+01 1.72 1.961644873e+01 1.74 1.752392383e+01 1.76 1.557829242e+01 1.78 1.377068998e+01 1.80 1.209273729e+01 1.82 1.053651579e+01 1.84 9.094544138e+00 1.86 7.759755842e+00 1.88 6.525478001e+00 1.90 5.385411036e+00 1.92 4.333609393e+00 1.94 3.364463178e+00 1.96 2.472680684e+00 1.98 1.653271739e+00 2.00 9.015318842e-01 2.02 2.130273043e-01 2.04 -4.164194998e-01 2.06 -9.907433398e-01 2.08 -1.513649299e+00 2.10 -1.988625053e+00 2.12 -2.418952583e+00 2.14 -2.807719302e+00 2.16 -3.157828629e+00 2.18 -3.472010033e+00 2.20 -3.752828572e+00 2.22 -4.002693944e+00 2.24 -4.223869086e+00 2.26 -4.418478324e+00 2.28 -4.588515111e+00 2.30 -4.735849209e+00 2.32 -4.860639172e+00 2.34 -4.952820000e+00 2.36 -5.034350030e+00 2.38 -5.107715990e+00 2.40 -5.166131392e+00 2.42 -5.210855998e+00 2.44 -5.243067770e+00 2.46 -5.263867585e+00 2.48 -5.274283690e+00 2.50 -5.275275905e+00 2.52 -5.267739578e+00 2.54 -5.252509309e+00 2.56 -5.230362453e+00 2.58 -5.202022398e+00 2.60 -5.168161650e+00 2.62 -5.129404702e+00 2.64 -5.086330719e+00 2.66 -5.039476028e+00 2.68 -4.989336429e+00 2.70 -4.936369324e+00 2.72 -4.880995664e+00 2.74 -4.823601734e+00 2.76 -4.764540739e+00 2.78 -4.704188287e+00 2.80 -4.643042955e+00 2.82 -4.581569165e+00 2.84 -4.520165931e+00 2.86 -4.459171681e+00 2.88 -4.398868548e+00 2.90 -4.339486220e+00 2.92 -4.281205406e+00 2.94 -4.224160997e+00 2.96 -4.168445017e+00 2.98 -4.114109491e+00 3.00 -4.061169374e+00 3.02 -4.009605735e+00 3.04 -3.959369348e+00 3.06 -3.910384884e+00 3.08 -3.862555811e+00 3.10 -3.815770036e+00 3.12 -3.769906191e+00 3.14 -3.724840339e+00 3.16 -3.680452704e+00 3.18 -3.636633942e+00 3.20 -3.593290406e+00 3.22 -3.550347952e+00 3.24 -3.507753906e+00 3.26 -3.465477109e+00 3.28 -3.423506128e+00 3.30 -3.381845999e+00 3.32 -3.340514005e+00 3.34 -3.299535076e+00 3.36 -3.258937367e+00 3.38 -3.218748458e+00 3.40 -3.178992478e+00 3.42 -3.139688256e+00 3.44 -3.100848458e+00 3.46 -3.062479545e+00 3.48 -3.024582327e+00 3.50 -2.987152860e+00 3.52 -2.950183478e+00 3.54 -2.913663791e+00 3.56 -2.877581559e+00 3.58 -2.841923381e+00 3.60 -2.806675229e+00 3.62 -2.771822817e+00 3.64 -2.737351872e+00 3.66 -2.703248321e+00 3.68 -2.669498417e+00 3.70 -2.636088845e+00 3.72 -2.603006792e+00 3.74 -2.570240005e+00 3.76 -2.537776834e+00 3.78 -2.505606270e+00 3.80 -2.473717962e+00 3.82 -2.442082773e+00 3.84 -2.408980869e+00 3.86 -2.366464610e+00 3.88 -2.306039298e+00 3.90 -2.253687405e+00 3.92 -2.224751397e+00 3.94 -2.196032450e+00 3.96 -2.167524280e+00 3.98 -2.139221322e+00 4.00 -2.111118701e+00 4.02 -2.083212198e+00 4.04 -2.055498219e+00 4.06 -2.027973757e+00 4.08 -2.000636363e+00 4.10 -1.973484108e+00 4.12 -1.946515548e+00 4.14 -1.919729693e+00 4.16 -1.893125972e+00 4.18 -1.866704200e+00 4.20 -1.840464542e+00 4.22 -1.814407487e+00 4.24 -1.788533814e+00 4.26 -1.762844561e+00 4.28 -1.737340998e+00 4.30 -1.712024597e+00 4.32 -1.686897007e+00 4.34 -1.661960028e+00 4.36 -1.637215581e+00 4.38 -1.612665694e+00 4.40 -1.588312470e+00 4.42 -1.559522949e+00 4.44 -1.467785232e+00 4.46 -1.171149445e+00 4.48 -5.578116691e-01 4.50 -1.473954156e-22 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