# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Ni # implementation = 2018--Jeong-G-U--Pd-Ni--LAMMPS--ipr1 # composition = NiPd2 # 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 7.819349130e+02 0.86 7.266774181e+02 0.88 6.751586901e+02 0.90 6.271331022e+02 0.92 5.823707960e+02 0.94 5.406566885e+02 0.96 5.017895401e+02 0.98 4.655810809e+02 1.00 4.318551910e+02 1.02 4.004471322e+02 1.04 3.712028270e+02 1.06 3.439781827e+02 1.08 3.186384575e+02 1.10 2.950576666e+02 1.12 2.731180251e+02 1.14 2.527094252e+02 1.16 2.337289471e+02 1.18 2.160804001e+02 1.20 1.996738919e+02 1.22 1.844254260e+02 1.24 1.702565236e+02 1.26 1.570938694e+02 1.28 1.448689801e+02 1.30 1.335178932e+02 1.32 1.229808760e+02 1.34 1.132021524e+02 1.36 1.041296477e+02 1.38 9.571474881e+01 1.40 8.791207992e+01 1.42 8.067929274e+01 1.44 7.397686958e+01 1.46 6.776793923e+01 1.48 6.201810441e+01 1.50 5.669528037e+01 1.52 5.176954364e+01 1.54 4.721299056e+01 1.56 4.299960477e+01 1.58 3.910513327e+01 1.60 3.550697039e+01 1.62 3.218404919e+01 1.64 2.911673990e+01 1.66 2.628675484e+01 1.68 2.367705954e+01 1.70 2.127178954e+01 1.72 1.905617259e+01 1.74 1.701645593e+01 1.76 1.513983821e+01 1.78 1.341440590e+01 1.80 1.182907382e+01 1.82 1.037352951e+01 1.84 9.038181289e+00 1.86 7.814109646e+00 1.88 6.693021882e+00 1.90 5.667209674e+00 1.92 4.729509445e+00 1.94 3.873265347e+00 1.96 3.092294675e+00 1.98 2.380855570e+00 2.00 1.733616858e+00 2.02 1.145629886e+00 2.04 6.123022308e-01 2.06 1.293731505e-01 2.08 -3.071093187e-01 2.10 -7.008097454e-01 2.12 -1.055125250e+00 2.14 -1.373204117e+00 2.16 -1.657963155e+00 2.18 -1.912103892e+00 2.20 -2.138127673e+00 2.22 -2.338349746e+00 2.24 -2.514912379e+00 2.26 -2.669797105e+00 2.28 -2.804836120e+00 2.30 -2.921722908e+00 2.32 -3.022022143e+00 2.34 -3.107178908e+00 2.36 -3.178527285e+00 2.38 -3.237298349e+00 2.40 -3.284627615e+00 2.42 -3.321561968e+00 2.44 -3.349066113e+00 2.46 -3.368028574e+00 2.48 -3.379267278e+00 2.50 -3.383534747e+00 2.52 -3.381522928e+00 2.54 -3.373867679e+00 2.56 -3.361152947e+00 2.58 -3.343914640e+00 2.60 -3.322644233e+00 2.62 -3.297792115e+00 2.64 -3.269770697e+00 2.66 -3.238957298e+00 2.68 -3.205696822e+00 2.70 -3.170304247e+00 2.72 -3.133066930e+00 2.74 -3.094246745e+00 2.76 -3.054082071e+00 2.78 -3.012789629e+00 2.80 -2.970566187e+00 2.82 -2.927590138e+00 2.84 -2.884022969e+00 2.86 -2.840010611e+00 2.88 -2.795684696e+00 2.90 -2.751163717e+00 2.92 -2.706554105e+00 2.94 -2.661951223e+00 2.96 -2.617440283e+00 2.98 -2.573097197e+00 3.00 -2.528989366e+00 3.02 -2.485176399e+00 3.04 -2.441710792e+00 3.06 -2.398638538e+00 3.08 -2.355999706e+00 3.10 -2.313828965e+00 3.12 -2.272156069e+00 3.14 -2.231006310e+00 3.16 -2.190400927e+00 3.18 -2.150357489e+00 3.20 -2.110890247e+00 3.22 -2.072010455e+00 3.24 -2.033726669e+00 3.26 -1.996045019e+00 3.28 -1.958969463e+00 3.30 -1.922502016e+00 3.32 -1.886642963e+00 3.34 -1.851391053e+00 3.36 -1.816743681e+00 3.38 -1.782697047e+00 3.40 -1.749246310e+00 3.42 -1.716385721e+00 3.44 -1.684108753e+00 3.46 -1.652408214e+00 3.48 -1.621276347e+00 3.50 -1.590704931e+00 3.52 -1.560685364e+00 3.54 -1.531208739e+00 3.56 -1.502265919e+00 3.58 -1.473847598e+00 3.60 -1.445944357e+00 3.62 -1.418546717e+00 3.64 -1.391645185e+00 3.66 -1.365230291e+00 3.68 -1.339292627e+00 3.70 -1.313822878e+00 3.72 -1.288811847e+00 3.74 -1.264250480e+00 3.76 -1.240129884e+00 3.78 -1.216441345e+00 3.80 -1.193176341e+00 3.82 -1.170318827e+00 3.84 -1.147178778e+00 3.86 -1.120549695e+00 3.88 -1.086849165e+00 3.90 -1.056541181e+00 3.92 -1.036136559e+00 3.94 -1.016097514e+00 3.96 -9.964177449e-01 3.98 -9.770910797e-01 4.00 -9.581114792e-01 4.02 -9.394730352e-01 4.04 -9.211699694e-01 4.06 -9.031966322e-01 4.08 -8.855475000e-01 4.10 -8.682171727e-01 4.12 -8.512003701e-01 4.14 -8.344919287e-01 4.16 -8.180867980e-01 4.18 -8.019800357e-01 4.20 -7.861668045e-01 4.22 -7.706423671e-01 4.24 -7.554020821e-01 4.26 -7.404414000e-01 4.28 -7.257558583e-01 4.30 -7.113410778e-01 4.32 -6.971927582e-01 4.34 -6.833066745e-01 4.36 -6.696786725e-01 4.38 -6.563046660e-01 4.40 -6.431806325e-01 4.42 -6.291315330e-01 4.44 -5.991766212e-01 4.46 -5.116868597e-01 4.48 -2.974638471e-01 4.50 -2.424942108e-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