# 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 = Co2Pd # 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 2.339996926e+02 1.16 2.148948251e+02 1.18 1.973688875e+02 1.20 1.812742229e+02 1.22 1.664817686e+02 1.24 1.528779392e+02 1.26 1.403602527e+02 1.28 1.288352507e+02 1.30 1.182183943e+02 1.32 1.084339281e+02 1.34 9.941356314e+01 1.36 9.109436844e+01 1.38 8.341737303e+01 1.40 7.632764453e+01 1.42 6.977509203e+01 1.44 6.371508865e+01 1.46 5.810851334e+01 1.48 5.292093314e+01 1.50 4.812188137e+01 1.52 4.369688477e+01 1.54 3.963317413e+01 1.56 3.590053444e+01 1.58 3.247111913e+01 1.60 2.931960555e+01 1.62 2.642314637e+01 1.64 2.376129748e+01 1.66 2.131580873e+01 1.68 1.907021025e+01 1.70 1.700931607e+01 1.72 1.511884322e+01 1.74 1.338524656e+01 1.76 1.179575230e+01 1.78 1.033851677e+01 1.80 9.002793198e+00 1.82 7.778975328e+00 1.84 6.658467523e+00 1.86 5.633448485e+00 1.88 4.696637745e+00 1.90 3.841142773e+00 1.92 3.060419825e+00 1.94 2.348336837e+00 1.96 1.699276048e+00 1.98 1.108190735e+00 2.00 5.705710941e-01 2.02 8.234593673e-02 2.04 -3.602224488e-01 2.06 -7.606148292e-01 2.08 -1.122098328e+00 2.10 -1.447745349e+00 2.12 -1.740437847e+00 2.14 -2.002863607e+00 2.16 -2.237507884e+00 2.18 -2.446643157e+00 2.20 -2.632322467e+00 2.22 -2.796383589e+00 2.24 -2.940579297e+00 2.26 -3.066350938e+00 2.28 -3.174872933e+00 2.30 -3.267252531e+00 2.32 -3.344543665e+00 2.34 -3.407757611e+00 2.36 -3.457871478e+00 2.38 -3.496011774e+00 2.40 -3.523261499e+00 2.42 -3.540028362e+00 2.44 -3.546818952e+00 2.46 -3.544263545e+00 2.48 -3.533099996e+00 2.50 -3.514144287e+00 2.52 -3.488249546e+00 2.54 -3.456301137e+00 2.56 -3.419183237e+00 2.58 -3.377692295e+00 2.60 -3.332524383e+00 2.62 -3.284273175e+00 2.64 -3.233429907e+00 2.66 -3.180386429e+00 2.68 -3.125444558e+00 2.70 -3.068832417e+00 2.72 -3.010724772e+00 2.74 -2.951262902e+00 2.76 -2.890570814e+00 2.78 -2.828766937e+00 2.80 -2.765972109e+00 2.82 -2.702315295e+00 2.84 -2.637938100e+00 2.86 -2.572998388e+00 2.88 -2.507672584e+00 2.90 -2.442155854e+00 2.92 -2.376659595e+00 2.94 -2.311406360e+00 2.96 -2.246623243e+00 2.98 -2.182535100e+00 3.00 -2.119358478e+00 3.02 -2.057295988e+00 3.04 -1.996530038e+00 3.06 -1.937215143e+00 3.08 -1.879469566e+00 3.10 -1.823368573e+00 3.12 -1.768941974e+00 3.14 -1.716177352e+00 3.16 -1.665028334e+00 3.18 -1.615425702e+00 3.20 -1.567288732e+00 3.22 -1.520534780e+00 3.24 -1.475086136e+00 3.26 -1.430874092e+00 3.28 -1.387840661e+00 3.30 -1.345938612e+00 3.32 -1.305130429e+00 3.34 -1.265386716e+00 3.36 -1.226684401e+00 3.38 -1.189004998e+00 3.40 -1.152333048e+00 3.42 -1.116654824e+00 3.44 -1.081957289e+00 3.46 -1.048227312e+00 3.48 -1.015451084e+00 3.50 -9.836137026e-01 3.52 -9.526988919e-01 3.54 -9.226888187e-01 3.56 -8.935639961e-01 3.58 -8.653032616e-01 3.60 -8.378838279e-01 3.62 -8.112814129e-01 3.64 -7.854704490e-01 3.66 -7.604243751e-01 3.68 -7.361160013e-01 3.70 -7.125179305e-01 3.72 -6.896030094e-01 3.74 -6.673447734e-01 3.76 -6.457178474e-01 3.78 -6.246982650e-01 3.80 -6.042636808e-01 3.82 -5.843934567e-01 3.84 -5.650686238e-01 3.86 -5.462717292e-01 3.88 -5.279865930e-01 3.90 -5.101980036e-01 3.92 -4.928913841e-01 3.94 -4.760524640e-01 3.96 -4.596669826e-01 3.98 -4.437204521e-01 4.00 -4.281980005e-01 4.02 -4.130843106e-01 4.04 -3.983636710e-01 4.06 -3.840201479e-01 4.08 -3.700378862e-01 4.10 -3.564015405e-01 4.12 -3.430968292e-01 4.14 -3.301111832e-01 4.16 -3.174344514e-01 4.18 -3.050595865e-01 4.20 -2.929832142e-01 4.22 -2.812059697e-01 4.24 -2.697324774e-01 4.26 -2.585708794e-01 4.28 -2.477318707e-01 4.30 -2.372272881e-01 4.32 -2.270683935e-01 4.34 -2.172640736e-01 4.36 -2.078192168e-01 4.38 -1.987335040e-01 4.40 -1.900007749e-01 4.42 -1.816090220e-01 4.44 -1.735409548e-01 4.46 -1.657749972e-01 4.48 -1.582865461e-01 4.50 -1.510493229e-01 4.52 -1.440366858e-01 4.54 -1.372228154e-01 4.56 -1.305837306e-01 4.58 -1.240981221e-01 4.60 -1.177480104e-01 4.62 -1.115192376e-01 4.64 -1.054018019e-01 4.66 -9.939003250e-02 4.68 -9.348260041e-02 4.70 -8.768235429e-02 4.72 -8.199597714e-02 4.74 -7.643346969e-02 4.76 -7.100748273e-02 4.78 -6.573253882e-02 4.80 -6.062419873e-02 4.82 -5.569823862e-02 4.84 -5.096989201e-02 4.86 -4.645321418e-02 4.88 -4.216058573e-02 4.90 -3.810235846e-02 4.92 -3.428662723e-02 4.94 -3.071880685e-02 4.96 -2.740207998e-02 4.98 -2.433739207e-02 5.00 -2.152304707e-02 5.02 -1.895475954e-02 5.04 -1.662576192e-02 5.06 -1.452698219e-02 5.08 -1.264722449e-02 5.10 -1.097360926e-02 5.12 -9.492097259e-03 5.14 -8.187741189e-03 5.16 -7.045133340e-03 5.18 -6.048827637e-03 5.20 -5.183708989e-03 5.22 -4.435294160e-03 5.24 -3.789957730e-03 5.26 -3.235084608e-03 5.28 -2.759156288e-03 5.30 -2.351781348e-03 5.32 -2.003682032e-03 5.34 -1.706648528e-03 5.36 -1.453471331e-03 5.38 -1.237860451e-03 5.40 -1.054358336e-03 5.42 -8.982516926e-04 5.44 -7.654858345e-04 5.46 -6.525839565e-04 5.48 -5.565727500e-04 5.50 -4.749150477e-04 5.52 -4.054496666e-04 5.54 -3.463382680e-04 5.56 -2.960188290e-04 5.58 -2.531651945e-04 5.60 -2.166521209e-04 5.62 -1.855252089e-04 5.64 -1.589751413e-04 5.66 -1.363156790e-04 5.68 -1.169649148e-04 5.70 -1.004293350e-04 5.72 -8.629028904e-05 5.74 -7.419251991e-05 5.76 -6.383444825e-05 5.78 -5.495994950e-05 5.80 -4.735139718e-05 5.82 -4.082377946e-05 5.84 -3.521972395e-05 5.86 -3.040529068e-05 5.88 -2.626641420e-05 5.90 -2.270589424e-05 5.92 -1.964084940e-05 5.94 -1.700056216e-05 5.96 -1.472465410e-05 5.98 -1.276154021e-05 6.00 -1.106711887e-05