# 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 = Ni2Pd # 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 2.046579876e+02 1.16 1.879583395e+02 1.18 1.726326707e+02 1.20 1.585548111e+02 1.22 1.456129398e+02 1.24 1.337066799e+02 1.26 1.227445912e+02 1.28 1.126439079e+02 1.30 1.033309454e+02 1.32 9.474097704e+01 1.34 8.681691767e+01 1.36 7.950662529e+01 1.38 7.276046541e+01 1.40 6.653083002e+01 1.42 6.077328175e+01 1.44 5.544791434e+01 1.46 5.051991844e+01 1.48 4.595918097e+01 1.50 4.174791149e+01 1.52 3.788166635e+01 1.54 3.433444888e+01 1.56 3.107991155e+01 1.58 2.809252003e+01 1.60 2.534811080e+01 1.62 2.282470836e+01 1.64 2.050316993e+01 1.66 1.836721758e+01 1.68 1.640283069e+01 1.70 1.459738459e+01 1.72 1.293896302e+01 1.74 1.141607848e+01 1.76 1.001779859e+01 1.78 8.734059667e+00 1.80 7.555871122e+00 1.82 6.475263085e+00 1.84 5.485053136e+00 1.86 4.578588806e+00 1.88 3.749562858e+00 1.90 2.991928901e+00 1.92 2.299912542e+00 1.94 1.668089409e+00 1.96 1.091478676e+00 1.98 5.655996633e-01 2.00 8.646503095e-02 2.02 -3.494812778e-01 2.04 -7.454501859e-01 2.06 -1.104384400e+00 2.08 -1.429007130e+00 2.10 -1.721842394e+00 2.12 -1.985219539e+00 2.14 -2.221277968e+00 2.16 -2.431983165e+00 2.18 -2.619156065e+00 2.20 -2.784509179e+00 2.22 -2.929678727e+00 2.24 -3.056241991e+00 2.26 -3.165712688e+00 2.28 -3.259542026e+00 2.30 -3.339111137e+00 2.32 -3.405731627e+00 2.34 -3.460651235e+00 2.36 -3.505223867e+00 2.38 -3.540825272e+00 2.40 -3.567669257e+00 2.42 -3.585953361e+00 2.44 -3.595956074e+00 2.46 -3.598025020e+00 2.48 -3.592572542e+00 2.50 -3.580067366e+00 2.52 -3.561048809e+00 2.54 -3.536095350e+00 2.56 -3.505739776e+00 2.58 -3.470447820e+00 2.60 -3.430614703e+00 2.62 -3.386576558e+00 2.64 -3.338632988e+00 2.66 -3.287075122e+00 2.68 -3.232213531e+00 2.70 -3.174400552e+00 2.72 -3.114041884e+00 2.74 -3.051593343e+00 2.76 -2.987541758e+00 2.78 -2.922373930e+00 2.80 -2.856542412e+00 2.82 -2.790438510e+00 2.84 -2.724379968e+00 2.86 -2.658614590e+00 2.88 -2.593335081e+00 2.90 -2.528697358e+00 2.92 -2.464835309e+00 2.94 -2.401868165e+00 2.96 -2.339900481e+00 2.98 -2.279017591e+00 3.00 -2.219280410e+00 3.02 -2.160722773e+00 3.04 -2.103352734e+00 3.06 -2.047157448e+00 3.08 -1.992110145e+00 3.10 -1.938177452e+00 3.12 -1.885325654e+00 3.14 -1.833525157e+00 3.16 -1.782752982e+00 3.18 -1.732993522e+00 3.20 -1.684238026e+00 3.22 -1.636483273e+00 3.24 -1.589729882e+00 3.26 -1.543980551e+00 3.28 -1.499238457e+00 3.30 -1.455505888e+00 3.32 -1.412783170e+00 3.34 -1.371067843e+00 3.36 -1.330354085e+00 3.38 -1.290632313e+00 3.40 -1.251888956e+00 3.42 -1.214106368e+00 3.44 -1.177262864e+00 3.46 -1.141332887e+00 3.48 -1.106287301e+00 3.50 -1.072093792e+00 3.52 -1.038717377e+00 3.54 -1.006120989e+00 3.56 -9.742661121e-01 3.58 -9.431134369e-01 3.60 -9.126235324e-01 3.62 -8.827575309e-01 3.64 -8.534778699e-01 3.66 -8.247491461e-01 3.68 -7.965391540e-01 3.70 -7.688201696e-01 3.72 -7.415705034e-01 3.74 -7.147762782e-01 3.76 -6.884332957e-01 3.78 -6.625487476e-01 3.80 -6.371424367e-01 3.82 -6.122471219e-01 3.84 -5.879076326e-01 3.86 -5.641785332e-01 3.88 -5.411203525e-01 3.90 -5.187946888e-01 3.92 -4.972587767e-01 3.94 -4.765602702e-01 3.96 -4.567329920e-01 3.98 -4.377942151e-01 4.00 -4.197437292e-01 4.02 -4.025646113e-01 4.04 -3.862253406e-01 4.06 -3.706827578e-01 4.08 -3.558853489e-01 4.10 -3.417764251e-01 4.12 -3.282969113e-01 4.14 -3.153875915e-01 4.16 -3.029907954e-01 4.18 -2.910515776e-01 4.20 -2.795184937e-01 4.22 -2.683440897e-01 4.24 -2.574852156e-01 4.26 -2.469032536e-01 4.28 -2.365643280e-01 4.30 -2.264395328e-01 4.32 -2.165051858e-01 4.34 -2.067430880e-01 4.36 -1.971407411e-01 4.38 -1.876914572e-01 4.40 -1.783942829e-01 4.42 -1.692536671e-01 4.44 -1.602788210e-01 4.46 -1.514827614e-01 4.48 -1.428810779e-01 4.50 -1.344905253e-01 4.52 -1.263275841e-01 4.54 -1.184071592e-01 4.56 -1.107415774e-01 4.58 -1.033400030e-01 4.60 -9.620831792e-02 4.62 -8.934945338e-02 4.64 -8.276408457e-02 4.66 -7.645153960e-02 4.68 -7.041074154e-02 4.70 -6.464103619e-02 4.72 -5.914278760e-02 4.74 -5.391750690e-02 4.76 -4.896816887e-02 4.78 -4.429865326e-02 4.80 -3.991300521e-02 4.82 -3.581470104e-02 4.84 -3.200587595e-02 4.86 -2.848663664e-02 4.88 -2.525454155e-02 4.90 -2.230430419e-02 4.92 -1.962773641e-02 4.94 -1.721352972e-02 4.96 -1.504837407e-02 4.98 -1.311737921e-02 5.00 -1.140416198e-02 5.02 -9.891440328e-03 5.04 -8.561586038e-03 5.06 -7.397105337e-03 5.08 -6.381030864e-03 5.10 -5.497220273e-03 5.12 -4.730565578e-03 5.14 -4.067123041e-03 5.16 -3.494176359e-03 5.18 -3.000246798e-03 5.20 -2.575063349e-03 5.22 -2.209504597e-03 5.24 -1.895522113e-03 5.26 -1.626053292e-03 5.28 -1.394929691e-03 5.30 -1.196785360e-03 5.32 -1.026968258e-03 5.34 -8.814568202e-04 5.36 -7.567828735e-04 5.38 -6.499614874e-04 5.40 -5.584279077e-04 5.42 -4.799814061e-04 5.44 -4.127356866e-04 5.46 -3.550753686e-04 5.48 -3.056180082e-04 5.50 -2.631811025e-04 5.52 -2.267535292e-04 5.54 -1.954709007e-04 5.56 -1.685943524e-04 5.58 -1.454923226e-04 5.60 -1.256249311e-04 5.62 -1.085306037e-04 5.64 -9.381463299e-05 5.66 -8.113940280e-05 5.68 -7.021604172e-05 5.70 -6.079729892e-05 5.72 -5.267146638e-05 5.74 -4.565719458e-05 5.76 -3.959907099e-05 5.78 -3.436384924e-05 5.80 -2.983723297e-05 5.82 -2.592113239e-05 5.84 -2.253132371e-05 5.86 -1.959545161e-05 5.88 -1.705132419e-05 5.90 -1.484545687e-05 5.92 -1.293182862e-05 5.94 -1.127081898e-05 5.96 -9.828299284e-06 5.98 -8.574855406e-06 6.00 -7.485122586e-06