# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Samolyuk-G-D-Beland-L-K-Stocks-G-M-Stoller-R-E--Ni-Pd # implementation = 2016--Samolyuk-G-D--Ni-Pd--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 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 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 4.290730492e+02 1.00 3.939773756e+02 1.02 3.630562814e+02 1.04 3.358380657e+02 1.06 3.119327671e+02 1.08 2.909326182e+02 1.10 2.725118023e+02 1.12 2.561643493e+02 1.14 2.401599795e+02 1.16 2.241510820e+02 1.18 2.084734886e+02 1.20 1.933536663e+02 1.22 1.789291677e+02 1.24 1.652860016e+02 1.26 1.524795926e+02 1.28 1.405335370e+02 1.30 1.294319447e+02 1.32 1.190996210e+02 1.34 1.094961419e+02 1.36 1.005884880e+02 1.38 9.233503261e+01 1.40 8.468541375e+01 1.42 7.758920364e+01 1.44 7.101667850e+01 1.46 6.494116825e+01 1.48 5.933192059e+01 1.50 5.415530840e+01 1.52 4.937471898e+01 1.54 4.495368175e+01 1.56 4.086284519e+01 1.58 3.707570318e+01 1.60 3.357183173e+01 1.62 3.033453382e+01 1.64 2.734913829e+01 1.66 2.460207069e+01 1.68 2.207996183e+01 1.70 1.976940627e+01 1.72 1.765692235e+01 1.74 1.572895173e+01 1.76 1.397260716e+01 1.78 1.237579447e+01 1.80 1.092676168e+01 1.82 9.614448529e+00 1.84 8.416294551e+00 1.86 7.313276690e+00 1.88 6.297986441e+00 1.90 5.363875326e+00 1.92 4.504436554e+00 1.94 3.713409530e+00 1.96 2.982983254e+00 1.98 2.304568583e+00 2.00 1.670150800e+00 2.02 1.072773000e+00 2.04 5.081125679e-01 2.06 -2.656320658e-02 2.08 -5.169042993e-01 2.10 -9.585430447e-01 2.12 -1.354231123e+00 2.14 -1.706459085e+00 2.16 -2.017732403e+00 2.18 -2.291051785e+00 2.20 -2.529693260e+00 2.22 -2.737068652e+00 2.24 -2.916551008e+00 2.26 -3.071250812e+00 2.28 -3.203804941e+00 2.30 -3.316570337e+00 2.32 -3.411513578e+00 2.34 -3.490333722e+00 2.36 -3.554543895e+00 2.38 -3.605494737e+00 2.40 -3.644397004e+00 2.42 -3.672336754e+00 2.44 -3.690260125e+00 2.46 -3.698908283e+00 2.48 -3.698740563e+00 2.50 -3.690023887e+00 2.52 -3.674005432e+00 2.54 -3.651899259e+00 2.56 -3.623855883e+00 2.58 -3.590298311e+00 2.60 -3.551851766e+00 2.62 -3.509205920e+00 2.64 -3.463048647e+00 2.66 -3.414022051e+00 2.68 -3.362693714e+00 2.70 -3.309544375e+00 2.72 -3.254964476e+00 2.74 -3.199224857e+00 2.76 -3.142466053e+00 2.78 -3.084767698e+00 2.80 -3.026219417e+00 2.82 -2.966955520e+00 2.84 -2.907120719e+00 2.86 -2.846866617e+00 2.88 -2.786350241e+00 2.90 -2.725731549e+00 2.92 -2.665169313e+00 2.94 -2.604814912e+00 2.96 -2.544803526e+00 2.98 -2.485242998e+00 3.00 -2.426205789e+00 3.02 -2.367728720e+00 3.04 -2.309815419e+00 3.06 -2.252441968e+00 3.08 -2.195566184e+00 3.10 -2.139139255e+00 3.12 -2.083119775e+00 3.14 -2.027489497e+00 3.16 -1.972270580e+00 3.18 -1.917541687e+00 3.20 -1.863434263e+00 3.22 -1.810109150e+00 3.24 -1.757740458e+00 3.26 -1.706501038e+00 3.28 -1.656546020e+00 3.30 -1.607993527e+00 3.32 -1.560904315e+00 3.34 -1.515261527e+00 3.36 -1.470983850e+00 3.38 -1.428080897e+00 3.40 -1.386602904e+00 3.42 -1.346591665e+00 3.44 -1.308078003e+00 3.46 -1.271079115e+00 3.48 -1.235596347e+00 3.50 -1.201613893e+00 3.52 -1.169099850e+00 3.54 -1.138008661e+00 3.56 -1.108283743e+00 3.58 -1.079860136e+00 3.60 -1.052667193e+00 3.62 -1.026631340e+00 3.64 -1.001678865e+00 3.66 -9.777388082e-01 3.68 -9.547459021e-01 3.70 -9.326435976e-01 3.72 -9.113869628e-01 3.74 -8.909430889e-01 3.76 -8.712887513e-01 3.78 -8.524075890e-01 3.80 -8.342872487e-01 3.82 -8.169165713e-01 3.84 -8.002824585e-01 3.86 -7.843661491e-01 3.88 -7.691391120e-01 3.90 -7.545589342e-01 3.92 -7.405650691e-01 3.94 -7.270901738e-01 3.96 -7.141063582e-01 3.98 -7.015977695e-01 4.00 -6.895501507e-01 4.02 -6.779503845e-01 4.04 -6.667860059e-01 4.06 -6.560447561e-01 4.08 -6.457141078e-01 4.10 -6.357807771e-01 4.12 -6.262302377e-01 4.14 -6.170462420e-01 4.16 -6.082103632e-01 4.18 -5.997015327e-01 4.20 -5.914956344e-01 4.22 -5.835654955e-01 4.24 -5.758813327e-01 4.26 -5.684112905e-01 4.28 -5.611219969e-01 4.30 -5.539791395e-01 4.32 -5.469480517e-01 4.34 -5.399943034e-01 4.36 -5.330843039e-01 4.38 -5.261859086e-01 4.40 -5.192690435e-01 4.42 -5.123063320e-01 4.44 -5.052737408e-01 4.46 -4.981512344e-01 4.48 -4.909234878e-01 4.50 -4.835803199e-01 4.52 -4.761155514e-01 4.54 -4.685263173e-01 4.56 -4.608134732e-01 4.58 -4.529820475e-01 4.60 -4.450410847e-01 4.62 -4.370030240e-01 4.64 -4.288836433e-01 4.66 -4.207015722e-01 4.68 -4.124777124e-01 4.70 -4.042352814e-01 4.72 -3.959991218e-01 4.74 -3.877954409e-01 4.76 -3.796518406e-01 4.78 -3.715963788e-01 4.80 -3.636580295e-01 4.82 -3.558654706e-01 4.84 -3.482472855e-01 4.86 -3.408314108e-01 4.88 -3.336431951e-01 4.90 -3.267064749e-01 4.92 -3.200414745e-01 4.94 -3.136637574e-01 4.96 -3.075849807e-01 4.98 -3.018113373e-01 5.00 -2.963428820e-01 5.02 -2.911764454e-01 5.04 -2.863045559e-01 5.06 -2.817150024e-01 5.08 -2.773899077e-01 5.10 -2.733092147e-01 5.12 -2.694504200e-01 5.14 -2.657889707e-01 5.16 -2.622989379e-01 5.18 -2.589531957e-01 5.20 -2.557216764e-01 5.22 -2.525780194e-01 5.24 -2.494966469e-01 5.26 -2.464529364e-01 5.28 -2.434242130e-01 5.30 -2.403907574e-01 5.32 -2.373367006e-01 5.34 -2.342503195e-01 5.36 -2.311258291e-01 5.38 -2.279564343e-01 5.40 -2.247320341e-01 5.42 -2.214450122e-01 5.44 -2.180902265e-01 5.46 -2.146651112e-01 5.48 -2.111698776e-01 5.50 -2.076077814e-01 5.52 -2.039886483e-01 5.54 -2.003361364e-01 5.56 -1.966747997e-01 5.58 -1.930307296e-01 5.60 -1.894309501e-01 5.62 -1.859025015e-01 5.64 -1.824714308e-01 5.66 -1.791617119e-01 5.68 -1.759941333e-01 5.70 -1.729667051e-01 5.72 -1.700726948e-01 5.74 -1.673384500e-01 5.76 -1.647818495e-01 5.78 -1.624126576e-01 5.80 -1.602336469e-01 5.82 -1.582417661e-01 5.84 -1.564292867e-01 5.86 -1.547848847e-01 5.88 -1.532946374e-01 5.90 -1.519429226e-01 5.92 -1.507132244e-01 5.94 -1.495888507e-01 5.96 -1.485535783e-01 5.98 -1.475922343e-01 6.00 -1.466912299e-01