# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Ni-Pt # implementation = 2017--Kim-J-S--Ni-Pt--LAMMPS--ipr1 # composition = NiPt2 # 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 9.551391686e+02 0.86 8.862071417e+02 0.88 8.220625156e+02 0.90 7.623802339e+02 0.92 7.068569558e+02 0.94 6.552096241e+02 0.96 6.071741260e+02 0.98 5.625040421e+02 1.00 5.209694773e+02 1.02 4.823559670e+02 1.04 4.464634559e+02 1.06 4.131053435e+02 1.08 3.821075912e+02 1.10 3.533078892e+02 1.12 3.265548773e+02 1.14 3.017074168e+02 1.16 2.786339106e+02 1.18 2.572116677e+02 1.20 2.373263097e+02 1.22 2.188712161e+02 1.24 2.017470064e+02 1.26 1.858610564e+02 1.28 1.711270458e+02 1.30 1.574645368e+02 1.32 1.447985792e+02 1.34 1.330593428e+02 1.36 1.221817733e+02 1.38 1.121052713e+02 1.40 1.027733929e+02 1.42 9.413356961e+01 1.44 8.613684697e+01 1.46 7.873764091e+01 1.48 7.189350996e+01 1.50 6.556494273e+01 1.52 5.971515953e+01 1.54 5.430992727e+01 1.56 4.931738666e+01 1.58 4.470789095e+01 1.60 4.045385552e+01 1.62 3.652961745e+01 1.64 3.291130454e+01 1.66 2.957671314e+01 1.68 2.650519409e+01 1.70 2.367754641e+01 1.72 2.107591812e+01 1.74 1.868371368e+01 1.76 1.648550774e+01 1.78 1.446696469e+01 1.80 1.261476356e+01 1.82 1.091652813e+01 1.84 9.360761683e+00 1.86 7.936786166e+00 1.88 6.634685536e+00 1.90 5.445252914e+00 1.92 4.359941327e+00 1.94 3.370817818e+00 1.96 2.470520676e+00 1.98 1.652219576e+00 2.00 9.095784455e-01 2.02 2.367208764e-01 2.04 -3.718021129e-01 2.06 -9.210420910e-01 2.08 -1.415681171e+00 2.10 -1.860058058e+00 2.12 -2.258192285e+00 2.14 -2.613806799e+00 2.16 -2.930348977e+00 2.18 -3.211010194e+00 2.20 -3.458744038e+00 2.22 -3.676283262e+00 2.24 -3.866155561e+00 2.26 -4.030698253e+00 2.28 -4.172071936e+00 2.30 -4.292273196e+00 2.32 -4.393146430e+00 2.34 -4.476394836e+00 2.36 -4.543590637e+00 2.38 -4.596184590e+00 2.40 -4.635514827e+00 2.42 -4.662815067e+00 2.44 -4.679222253e+00 2.46 -4.685783658e+00 2.48 -4.683463470e+00 2.50 -4.673148930e+00 2.52 -4.655656019e+00 2.54 -4.631734744e+00 2.56 -4.602074056e+00 2.58 -4.567306403e+00 2.60 -4.528011965e+00 2.62 -4.484722585e+00 2.64 -4.437925413e+00 2.66 -4.388066293e+00 2.68 -4.335552899e+00 2.70 -4.280757648e+00 2.72 -4.224020405e+00 2.74 -4.165650979e+00 2.76 -4.105931452e+00 2.78 -4.045118327e+00 2.80 -3.983444521e+00 2.82 -3.921121215e+00 2.84 -3.858339565e+00 2.86 -3.795272283e+00 2.88 -3.732075110e+00 2.90 -3.668888169e+00 2.92 -3.605837224e+00 2.94 -3.543034843e+00 2.96 -3.480581473e+00 2.98 -3.418566435e+00 3.00 -3.357068845e+00 3.02 -3.296158462e+00 3.04 -3.235896473e+00 3.06 -3.176336222e+00 3.08 -3.117523877e+00 3.10 -3.059499051e+00 3.12 -3.002295373e+00 3.14 -2.945941012e+00 3.16 -2.890459168e+00 3.18 -2.835868519e+00 3.20 -2.782183634e+00 3.22 -2.729415355e+00 3.24 -2.677571149e+00 3.26 -2.626655430e+00 3.28 -2.576669862e+00 3.30 -2.527613628e+00 3.32 -2.479483689e+00 3.34 -2.432275013e+00 3.36 -2.385980792e+00 3.38 -2.340592638e+00 3.40 -2.296100767e+00 3.42 -2.252494164e+00 3.44 -2.209760737e+00 3.46 -2.167887460e+00 3.48 -2.126860504e+00 3.50 -2.086665353e+00 3.52 -2.047286918e+00 3.54 -2.008709635e+00 3.56 -1.970917562e+00 3.58 -1.933894458e+00 3.60 -1.897623868e+00 3.62 -1.862089191e+00 3.64 -1.827273746e+00 3.66 -1.793160834e+00 3.68 -1.759733791e+00 3.70 -1.726976039e+00 3.72 -1.694871132e+00 3.74 -1.663402799e+00 3.76 -1.632554978e+00 3.78 -1.602311854e+00 3.80 -1.572657885e+00 3.82 -1.543562397e+00 3.84 -1.513652707e+00 3.86 -1.476474221e+00 3.88 -1.423801795e+00 3.90 -1.376639684e+00 3.92 -1.351264256e+00 3.94 -1.326341987e+00 3.96 -1.301863932e+00 3.98 -1.277821329e+00 4.00 -1.254205615e+00 4.02 -1.231008423e+00 4.04 -1.208221592e+00 4.06 -1.185837165e+00 4.08 -1.163847389e+00 4.10 -1.142244720e+00 4.12 -1.121021818e+00 4.14 -1.100171545e+00 4.16 -1.079686963e+00 4.18 -1.059561334e+00 4.20 -1.039788109e+00 4.22 -1.020360929e+00 4.24 -1.001273617e+00 4.26 -9.825201755e-01 4.28 -9.640947761e-01 4.30 -9.459917572e-01 4.32 -9.282056161e-01 4.34 -9.107310023e-01 4.36 -8.935627117e-01 4.38 -8.766956790e-01 4.40 -8.601249716e-01 4.42 -8.423068068e-01 4.44 -8.035051448e-01 4.46 -6.883791748e-01 4.48 -4.026418383e-01 4.50 -3.306904484e-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