# 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 = Mg2Pb # 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 4.385945628e+02 1.16 4.059240102e+02 1.18 3.758510510e+02 1.20 3.481463196e+02 1.22 3.226032246e+02 1.24 2.990356584e+02 1.26 2.772758320e+02 1.28 2.571721641e+02 1.30 2.385870814e+02 1.32 2.213952232e+02 1.34 2.054823224e+02 1.36 1.907443802e+02 1.38 1.770867920e+02 1.40 1.644235976e+02 1.42 1.526768355e+02 1.44 1.417756679e+02 1.46 1.316552120e+02 1.48 1.222565347e+02 1.50 1.135332337e+02 1.52 1.054356340e+02 1.54 9.791628614e+01 1.56 9.093192202e+01 1.58 8.444284987e+01 1.60 7.841243831e+01 1.62 7.280681459e+01 1.64 6.759471239e+01 1.66 6.274737781e+01 1.68 5.823841896e+01 1.70 5.404358295e+01 1.72 5.014046890e+01 1.74 4.650827392e+01 1.76 4.312762117e+01 1.78 3.998047229e+01 1.80 3.705008290e+01 1.82 3.432099205e+01 1.84 3.177898945e+01 1.86 2.941105558e+01 1.88 2.720524724e+01 1.90 2.515054602e+01 1.92 2.323670972e+01 1.94 2.145417176e+01 1.96 1.979397301e+01 1.98 1.824772847e+01 2.00 1.680760086e+01 2.02 1.546627392e+01 2.04 1.421692962e+01 2.06 1.305323402e+01 2.08 1.196932664e+01 2.10 1.095980379e+01 2.12 1.001968973e+01 2.14 9.144390094e+00 2.16 8.329643899e+00 2.18 7.571478251e+00 2.20 6.866175291e+00 2.22 6.210247452e+00 2.24 5.600423911e+00 2.26 5.033643934e+00 2.28 4.507049763e+00 2.30 4.017982953e+00 2.32 3.563962613e+00 2.34 3.142675816e+00 2.36 2.751951071e+00 2.38 2.389742172e+00 2.40 2.054115435e+00 2.42 1.743241925e+00 2.44 1.455399098e+00 2.46 1.188974465e+00 2.48 9.424724194e-01 2.50 7.145177521e-01 2.52 5.038529773e-01 2.54 3.093291956e-01 2.56 1.298928701e-01 2.58 -3.542832133e-02 2.60 -1.875382889e-01 2.62 -3.272821438e-01 2.64 -4.554582030e-01 2.66 -5.728177940e-01 2.68 -6.800739399e-01 2.70 -7.779027728e-01 2.72 -8.669449676e-01 2.74 -9.478062808e-01 2.76 -1.021057547e+00 2.78 -1.087233787e+00 2.80 -1.146837489e+00 2.82 -1.200334186e+00 2.84 -1.248157429e+00 2.86 -1.290746868e+00 2.88 -1.328474344e+00 2.90 -1.361640133e+00 2.92 -1.390531722e+00 2.94 -1.415423781e+00 2.96 -1.436578278e+00 2.98 -1.454244731e+00 3.00 -1.468660921e+00 3.02 -1.480091172e+00 3.04 -1.488728928e+00 3.06 -1.494725739e+00 3.08 -1.498235958e+00 3.10 -1.499418053e+00 3.12 -1.498432997e+00 3.14 -1.495447480e+00 3.16 -1.490626806e+00 3.18 -1.484134801e+00 3.20 -1.476089763e+00 3.22 -1.466574430e+00 3.24 -1.455679441e+00 3.26 -1.443500517e+00 3.28 -1.430134814e+00 3.30 -1.415678076e+00 3.32 -1.400222526e+00 3.34 -1.383855356e+00 3.36 -1.366657754e+00 3.38 -1.348704454e+00 3.40 -1.330063386e+00 3.42 -1.310797894e+00 3.44 -1.290964843e+00 3.46 -1.270617467e+00 3.48 -1.249805769e+00 3.50 -1.228577297e+00 3.52 -1.206977775e+00 3.54 -1.185051614e+00 3.56 -1.162842350e+00 3.58 -1.140393070e+00 3.60 -1.117746845e+00 3.62 -1.094947182e+00 3.64 -1.072038437e+00 3.66 -1.049066147e+00 3.68 -1.026077169e+00 3.70 -1.003119559e+00 3.72 -9.802421384e-01 3.74 -9.574937406e-01 3.76 -9.349222148e-01 3.78 -9.125733036e-01 3.80 -8.904895477e-01 3.82 -8.687093500e-01 3.84 -8.472662844e-01 3.86 -8.261886684e-01 3.88 -8.054993724e-01 3.90 -7.852158186e-01 3.92 -7.653498826e-01 3.94 -7.459092671e-01 3.96 -7.268962549e-01 3.98 -7.083095013e-01 4.00 -6.901444201e-01 4.02 -6.723939512e-01 4.04 -6.550493214e-01 4.06 -6.381007367e-01 4.08 -6.215379592e-01 4.10 -6.053487982e-01 4.12 -5.895275793e-01 4.14 -5.740624836e-01 4.16 -5.589446651e-01 4.18 -5.441658824e-01 4.20 -5.297184776e-01 4.22 -5.155953294e-01 4.24 -5.017897957e-01 4.26 -4.882956552e-01 4.28 -4.751070547e-01 4.30 -4.622184635e-01 4.32 -4.496246360e-01 4.34 -4.373205807e-01 4.36 -4.253015328e-01 4.38 -4.135629290e-01 4.40 -4.021003813e-01 4.42 -3.909096486e-01 4.44 -3.799866062e-01 4.46 -3.693272114e-01 4.48 -3.589274689e-01 4.50 -3.487833951e-01 4.52 -3.388909842e-01 4.54 -3.292461783e-01 4.56 -3.198448422e-01 4.58 -3.106827456e-01 4.60 -3.017555529e-01 4.62 -2.930588210e-01 4.64 -2.845880062e-01 4.66 -2.763384775e-01 4.68 -2.683055371e-01 4.70 -2.604844449e-01 4.72 -2.528704462e-01 4.74 -2.454587992e-01 4.76 -2.382448014e-01 4.78 -2.312238116e-01 4.80 -2.243897394e-01 4.82 -2.177414223e-01 4.84 -2.112726618e-01 4.86 -2.049791845e-01 4.88 -1.988568042e-01 4.90 -1.929014123e-01 4.92 -1.871089650e-01 4.94 -1.814754698e-01 4.96 -1.759969704e-01 4.98 -1.706695351e-01 5.00 -1.654892448e-01 5.02 -1.604521851e-01 5.04 -1.555544410e-01 5.06 -1.507920944e-01 5.08 -1.461612257e-01 5.10 -1.416579181e-01 5.12 -1.372782658e-01 5.14 -1.330183856e-01 5.16 -1.288744314e-01 5.18 -1.248426136e-01 5.20 -1.209192213e-01 5.22 -1.171006485e-01 5.24 -1.133834228e-01 5.26 -1.097642370e-01 5.28 -1.062399818e-01 5.30 -1.028077772e-01 5.32 -9.946500168e-02 5.34 -9.620931450e-02 5.36 -9.303866897e-02 5.38 -8.995131210e-02 5.40 -8.694576806e-02 5.42 -8.402080363e-02 5.44 -8.117537469e-02 5.46 -7.840855550e-02 5.48 -7.571945483e-02 5.50 -7.310712487e-02 5.52 -7.057047076e-02 5.54 -6.810816873e-02 5.56 -6.571860058e-02 5.58 -6.339981019e-02 5.60 -6.114948544e-02 5.62 -5.896496627e-02 5.64 -5.684327792e-02 5.66 -5.478117671e-02 5.68 -5.277521730e-02 5.70 -5.082182708e-02 5.72 -4.891738339e-02 5.74 -4.705828938e-02 5.76 -4.524098261e-02 5.78 -4.346210934e-02 5.80 -4.171859160e-02 5.82 -4.000763636e-02 5.84 -3.832678616e-02 5.86 -3.667396377e-02 5.88 -3.504751060e-02 5.90 -3.344621849e-02 5.92 -3.186935374e-02 5.94 -3.031662679e-02 5.96 -2.878780818e-02 5.98 -2.728361926e-02 6.00 -2.580539719e-02