# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Bonny-G-Bakaev-A-Olsson-P-et-al--Fe-Cr-Ni # implementation = 2017--Bonny-G--Fe-Cr-Ni--LAMMPS--ipr1 # composition = FeNi2 # 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 2024-01-04 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 1.460677955e+03 0.86 1.344495285e+03 0.88 1.239220674e+03 0.90 1.143388489e+03 0.92 1.055762549e+03 0.94 9.747252951e+02 0.96 9.004505891e+02 0.98 8.323547655e+02 1.00 7.699004170e+02 1.02 7.126152835e+02 1.04 6.601072418e+02 1.06 6.120142526e+02 1.08 5.679763877e+02 1.10 5.276257978e+02 1.12 4.905944740e+02 1.14 4.565201120e+02 1.16 4.250537466e+02 1.18 3.958882409e+02 1.20 3.687694921e+02 1.22 3.434697281e+02 1.24 3.198242276e+02 1.26 2.976899608e+02 1.28 2.769689533e+02 1.30 2.575755617e+02 1.32 2.391347261e+02 1.34 2.218524261e+02 1.36 2.056444786e+02 1.38 1.904167267e+02 1.40 1.760704644e+02 1.42 1.625154130e+02 1.44 1.496976572e+02 1.46 1.375893469e+02 1.48 1.261622195e+02 1.50 1.153880475e+02 1.52 1.052391350e+02 1.54 9.568761693e+01 1.56 8.674799962e+01 1.58 7.842306703e+01 1.60 7.068011128e+01 1.62 6.348990454e+01 1.64 5.682604071e+01 1.66 5.066322319e+01 1.68 4.497710956e+01 1.70 3.974471239e+01 1.72 3.494495700e+01 1.74 3.055739128e+01 1.76 2.656180767e+01 1.78 2.293779870e+01 1.80 1.966454769e+01 1.82 1.672073713e+01 1.84 1.408460898e+01 1.86 1.173407628e+01 1.88 9.646867508e+00 1.90 7.800988380e+00 1.92 6.174827493e+00 1.94 4.747170920e+00 1.96 3.496866908e+00 1.98 2.402690867e+00 2.00 1.443621231e+00 2.02 6.030801648e-01 2.04 -1.296963457e-01 2.06 -7.642212911e-01 2.08 -1.309591515e+00 2.10 -1.774605028e+00 2.12 -2.167668436e+00 2.14 -2.496697166e+00 2.16 -2.769015658e+00 2.18 -2.991412194e+00 2.20 -3.170418407e+00 2.22 -3.312379392e+00 2.24 -3.423206898e+00 2.26 -3.508533071e+00 2.28 -3.573930371e+00 2.30 -3.625137709e+00 2.32 -3.667050060e+00 2.34 -3.700865160e+00 2.36 -3.726771212e+00 2.38 -3.744859282e+00 2.40 -3.755204205e+00 2.42 -3.757905250e+00 2.44 -3.753115683e+00 2.46 -3.741051075e+00 2.48 -3.721992653e+00 2.50 -3.696288491e+00 2.52 -3.664349773e+00 2.54 -3.626642388e+00 2.56 -3.583694566e+00 2.58 -3.536161480e+00 2.60 -3.484703151e+00 2.62 -3.429911229e+00 2.64 -3.372308133e+00 2.66 -3.312319282e+00 2.68 -3.250260481e+00 2.70 -3.186402822e+00 2.72 -3.121017760e+00 2.74 -3.054378271e+00 2.76 -2.986757902e+00 2.78 -2.918430072e+00 2.80 -2.849667425e+00 2.82 -2.780741202e+00 2.84 -2.711920702e+00 2.86 -2.643472833e+00 2.88 -2.575661805e+00 2.90 -2.508753177e+00 2.92 -2.443022428e+00 2.94 -2.378744776e+00 2.96 -2.316152083e+00 2.98 -2.255263457e+00 3.00 -2.196029342e+00 3.02 -2.138400003e+00 3.04 -2.082326623e+00 3.06 -2.027762514e+00 3.08 -1.974664449e+00 3.10 -1.922993677e+00 3.12 -1.872716085e+00 3.14 -1.823802777e+00 3.16 -1.776231181e+00 3.18 -1.729986153e+00 3.20 -1.685053029e+00 3.22 -1.641402969e+00 3.24 -1.598992886e+00 3.26 -1.557773513e+00 3.28 -1.517692955e+00 3.30 -1.478696404e+00 3.32 -1.440725691e+00 3.34 -1.403719816e+00 3.36 -1.367615495e+00 3.38 -1.332347695e+00 3.40 -1.297850139e+00 3.42 -1.264055796e+00 3.44 -1.230897322e+00 3.46 -1.198307466e+00 3.48 -1.166219433e+00 3.50 -1.134567201e+00 3.52 -1.103285797e+00 3.54 -1.072311516e+00 3.56 -1.041582121e+00 3.58 -1.011036978e+00 3.60 -9.806242613e-01 3.62 -9.503411399e-01 3.64 -9.202058625e-01 3.66 -8.902385535e-01 3.68 -8.604611360e-01 3.70 -8.308972709e-01 3.72 -8.015724216e-01 3.74 -7.725133906e-01 3.76 -7.437493894e-01 3.78 -7.153075036e-01 3.80 -6.872288885e-01 3.82 -6.595249892e-01 3.84 -6.322288747e-01 3.86 -6.054898351e-01 3.88 -5.791704257e-01 3.90 -5.531087470e-01 3.92 -5.278086047e-01 3.94 -5.036507143e-01 3.96 -4.803420603e-01 3.98 -4.573414925e-01 4.00 -4.338968854e-01 4.02 -4.104149230e-01 4.04 -3.876758006e-01 4.06 -3.660735204e-01 4.08 -3.455336958e-01 4.10 -3.262268860e-01 4.12 -3.082347305e-01 4.14 -2.915071189e-01 4.16 -2.759305864e-01 4.18 -2.613656591e-01 4.20 -2.476654689e-01 4.22 -2.347026700e-01 4.24 -2.224261540e-01 4.26 -2.107903311e-01 4.28 -1.997443323e-01 4.30 -1.892403306e-01 4.32 -1.792337289e-01 4.34 -1.696833308e-01 4.36 -1.605514073e-01 4.38 -1.518037324e-01 4.40 -1.434096696e-01 4.42 -1.353439368e-01 4.44 -1.275839958e-01 4.46 -1.201126926e-01 4.48 -1.129198129e-01 4.50 -1.059940123e-01 4.52 -9.933366640e-02 4.54 -9.289908557e-02 4.56 -8.658653626e-02 4.58 -8.072018759e-02 4.60 -7.555494564e-02 4.62 -7.108594983e-02 4.64 -6.651035447e-02 4.66 -6.135841041e-02 4.68 -5.549412810e-02 4.70 -4.896012250e-02 4.72 -4.213673738e-02 4.74 -3.554363468e-02 4.76 -2.947888476e-02 4.78 -2.408619611e-02 4.80 -1.940998437e-02 4.82 -1.543386998e-02 4.84 -1.210688576e-02 4.86 -9.360745198e-03 4.88 -7.121114837e-03 4.90 -5.317953620e-03 4.92 -3.887601655e-03 4.94 -2.771815121e-03 4.96 -1.918274827e-03 4.98 -1.280514448e-03 5.00 -8.175573139e-04 5.02 -4.934671994e-04 5.04 -2.769283897e-04 5.06 -1.409096953e-04 5.08 -6.242868075e-05 5.10 -2.241008857e-05 5.12 -5.621371336e-06 5.14 -6.645968526e-07 5.16 -4.935520186e-09 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