# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mg2Ti # 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 2024-04-11 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 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 4.383298260e+02 1.16 4.048099624e+02 1.18 3.739972005e+02 1.20 3.456514380e+02 1.22 3.195567097e+02 1.24 2.955189519e+02 1.26 2.733632750e+02 1.28 2.529313317e+02 1.30 2.340788268e+02 1.32 2.166735279e+02 1.34 2.005945173e+02 1.36 1.857323014e+02 1.38 1.719883394e+02 1.40 1.592734876e+02 1.42 1.475062431e+02 1.44 1.366117560e+02 1.46 1.265215625e+02 1.48 1.171732951e+02 1.50 1.085100540e+02 1.52 1.004798249e+02 1.54 9.303480285e+01 1.56 8.613040349e+01 1.58 7.972548710e+01 1.60 7.378276670e+01 1.62 6.826802246e+01 1.64 6.314976939e+01 1.66 5.839891753e+01 1.68 5.398844144e+01 1.70 4.989314672e+01 1.72 4.608959939e+01 1.74 4.255619936e+01 1.76 3.927322851e+01 1.78 3.622274056e+01 1.80 3.338832048e+01 1.82 3.075484269e+01 1.84 2.830828909e+01 1.86 2.603563758e+01 1.88 2.392476454e+01 1.90 2.196434550e+01 1.92 2.014375895e+01 1.94 1.845302608e+01 1.96 1.688281335e+01 1.98 1.542447624e+01 2.00 1.407007986e+01 2.02 1.281235062e+01 2.04 1.164457999e+01 2.06 1.056053214e+01 2.08 9.554390282e+00 2.10 8.620742932e+00 2.12 7.754579793e+00 2.14 6.951276414e+00 2.16 6.206563045e+00 2.18 5.516482323e+00 2.20 4.877349468e+00 2.22 4.285713676e+00 2.24 3.738328627e+00 2.26 3.232130858e+00 2.28 2.764223667e+00 2.30 2.331810639e+00 2.32 1.932338151e+00 2.34 1.563505683e+00 2.36 1.223178987e+00 2.38 9.093956991e-01 2.40 6.203538902e-01 2.42 3.543873772e-01 2.44 1.099467891e-01 2.46 -1.143195863e-01 2.48 -3.196190597e-01 2.50 -5.071276891e-01 2.52 -6.779868862e-01 2.54 -8.332947543e-01 2.56 -9.740977842e-01 2.58 -1.101384508e+00 2.60 -1.216082565e+00 2.62 -1.319059410e+00 2.64 -1.411127596e+00 2.66 -1.493048525e+00 2.68 -1.565539448e+00 2.70 -1.629277657e+00 2.72 -1.684903519e+00 2.74 -1.733021949e+00 2.76 -1.774202656e+00 2.78 -1.808979382e+00 2.80 -1.837851093e+00 2.82 -1.861279814e+00 2.84 -1.879693718e+00 2.86 -1.893488945e+00 2.88 -1.903032855e+00 2.90 -1.908668046e+00 2.92 -1.910716957e+00 2.94 -1.909486821e+00 2.96 -1.905274474e+00 2.98 -1.898370269e+00 3.00 -1.889060067e+00 3.02 -1.877624367e+00 3.04 -1.864333879e+00 3.06 -1.849444382e+00 3.08 -1.833195573e+00 3.10 -1.815833486e+00 3.12 -1.797491068e+00 3.14 -1.778268571e+00 3.16 -1.758249613e+00 3.18 -1.737506773e+00 3.20 -1.716105194e+00 3.22 -1.694106010e+00 3.24 -1.671568672e+00 3.26 -1.648537746e+00 3.28 -1.625005753e+00 3.30 -1.600965961e+00 3.32 -1.576425269e+00 3.34 -1.551399988e+00 3.36 -1.525912473e+00 3.38 -1.499988810e+00 3.40 -1.473657656e+00 3.42 -1.446951004e+00 3.44 -1.419904585e+00 3.46 -1.392560254e+00 3.48 -1.364967612e+00 3.50 -1.337185173e+00 3.52 -1.309280375e+00 3.54 -1.281328061e+00 3.56 -1.253407347e+00 3.58 -1.225597247e+00 3.60 -1.197971778e+00 3.62 -1.170595525e+00 3.64 -1.143520538e+00 3.66 -1.116785072e+00 3.68 -1.090414193e+00 3.70 -1.064421837e+00 3.72 -1.038813684e+00 3.74 -1.013590237e+00 3.76 -9.887496105e-01 3.78 -9.642897563e-01 3.80 -9.402100161e-01 3.82 -9.165120049e-01 3.84 -8.931998831e-01 3.86 -8.702801147e-01 3.88 -8.477608290e-01 3.90 -8.256509282e-01 3.92 -8.039588601e-01 3.94 -7.826927478e-01 3.96 -7.618580556e-01 3.98 -7.414583432e-01 4.00 -7.214948573e-01 4.02 -7.019666884e-01 4.04 -6.828711021e-01 4.06 -6.642039520e-01 4.08 -6.459600973e-01 4.10 -6.281332483e-01 4.12 -6.107184437e-01 4.14 -5.937087977e-01 4.16 -5.770980724e-01 4.18 -5.608800945e-01 4.20 -5.450487782e-01 4.22 -5.295981203e-01 4.24 -5.145221793e-01 4.26 -4.998150491e-01 4.28 -4.854708353e-01 4.30 -4.714836375e-01 4.32 -4.578475387e-01 4.34 -4.445566033e-01 4.36 -4.316048792e-01 4.38 -4.189864041e-01 4.40 -4.066952113e-01 4.42 -3.947253333e-01 4.44 -3.830708020e-01 4.46 -3.717256445e-01 4.48 -3.606838752e-01 4.50 -3.499394844e-01 4.52 -3.394864272e-01 4.54 -3.293186126e-01 4.56 -3.194298956e-01 4.58 -3.098140742e-01 4.60 -3.004648922e-01 4.62 -2.913760479e-01 4.64 -2.825412092e-01 4.66 -2.739540346e-01 4.68 -2.656081974e-01 4.70 -2.574974140e-01 4.72 -2.496154716e-01 4.74 -2.419562555e-01 4.76 -2.345137724e-01 4.78 -2.272821690e-01 4.80 -2.202551848e-01 4.82 -2.134284952e-01 4.84 -2.067960390e-01 4.86 -2.003525823e-01 4.88 -1.940930265e-01 4.90 -1.880123906e-01 4.92 -1.821057921e-01 4.94 -1.763684254e-01 4.96 -1.707955418e-01 4.98 -1.653824294e-01 5.00 -1.601243964e-01 5.02 -1.550167566e-01 5.04 -1.500548178e-01 5.06 -1.452338739e-01 5.08 -1.405491999e-01 5.10 -1.359960506e-01 5.12 -1.315696623e-01 5.14 -1.272652582e-01 5.16 -1.230780573e-01 5.18 -1.190032864e-01 5.20 -1.150361969e-01 5.22 -1.111720843e-01 5.24 -1.074063114e-01 5.26 -1.037343354e-01 5.28 -1.001517360e-01 5.30 -9.665424517e-02 5.32 -9.323777534e-02 5.34 -8.989844459e-02 5.36 -8.663259553e-02 5.38 -8.343680576e-02 5.40 -8.030788781e-02 5.42 -7.724287793e-02 5.44 -7.423901450e-02 5.46 -7.129370908e-02 5.48 -6.840451565e-02 5.50 -6.556910518e-02 5.52 -6.278525396e-02 5.54 -6.005085393e-02 5.56 -5.736395402e-02 5.58 -5.472282883e-02 5.60 -5.212607544e-02 5.62 -4.957274539e-02 5.64 -4.706248614e-02 5.66 -4.459568223e-02 5.68 -4.217357828e-02 5.70 -3.979836573e-02 5.72 -3.747321600e-02 5.74 -3.520224618e-02 5.76 -3.299038637e-02 5.78 -3.084276943e-02 5.80 -2.876469938e-02 5.82 -2.676272812e-02 5.84 -2.484314578e-02 5.86 -2.301161250e-02 5.88 -2.127285854e-02 5.90 -1.963044244e-02 5.92 -1.808658584e-02 5.94 -1.664209487e-02 5.96 -1.529636812e-02 5.98 -1.404748266e-02 6.00 -1.289234338e-02