# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--LAMMPS--ipr1 # composition = Co2Ni # 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 2.729068885e+02 0.86 2.554810306e+02 0.88 2.390771034e+02 0.90 2.236381345e+02 0.92 2.091102128e+02 0.94 1.954423291e+02 0.96 1.825862246e+02 0.98 1.704962469e+02 1.00 1.591292138e+02 1.02 1.484442836e+02 1.04 1.384028321e+02 1.06 1.289683364e+02 1.08 1.201062637e+02 1.10 1.117839666e+02 1.12 1.039705836e+02 1.14 9.663694430e+01 1.16 8.975547987e+01 1.18 8.330013819e+01 1.20 7.724630305e+01 1.22 7.157071771e+01 1.24 6.625141243e+01 1.26 6.126763563e+01 1.28 5.659978876e+01 1.30 5.222936448e+01 1.32 4.813888802e+01 1.34 4.431186167e+01 1.36 4.073271213e+01 1.38 3.738674061e+01 1.40 3.426007554e+01 1.42 3.133962776e+01 1.44 2.861304805e+01 1.46 2.606868695e+01 1.48 2.369555657e+01 1.50 2.148329459e+01 1.52 1.942212997e+01 1.54 1.750285063e+01 1.56 1.571677276e+01 1.58 1.405571176e+01 1.60 1.251195477e+01 1.62 1.107823462e+01 1.64 9.747705178e+00 1.66 8.513918038e+00 1.68 7.370800414e+00 1.70 6.312634259e+00 1.72 5.334036480e+00 1.74 4.429940227e+00 1.76 3.595577186e+00 1.78 2.826460832e+00 1.80 2.118370580e+00 1.82 1.467336803e+00 1.84 8.696266581e-01 1.86 3.217306792e-01 1.88 -1.796498914e-01 1.90 -6.376150860e-01 1.92 -1.055077540e+00 1.94 -1.434773197e+00 1.96 -1.779271429e+00 1.98 -2.090984598e+00 2.00 -2.372177097e+00 2.02 -2.624973881e+00 2.04 -2.851368538e+00 2.06 -3.053230908e+00 2.08 -3.232314275e+00 2.10 -3.390262168e+00 2.12 -3.528614772e+00 2.14 -3.648814993e+00 2.16 -3.752214174e+00 2.18 -3.840077493e+00 2.20 -3.913589060e+00 2.22 -3.974047068e+00 2.24 -4.024284510e+00 2.26 -4.062244979e+00 2.28 -4.088608116e+00 2.30 -4.105486384e+00 2.32 -4.113669427e+00 2.34 -4.113894265e+00 2.36 -4.106848489e+00 2.38 -4.093173269e+00 2.40 -4.073466188e+00 2.42 -4.048283914e+00 2.44 -4.018144722e+00 2.46 -3.983530863e+00 2.48 -3.944890798e+00 2.50 -3.902641303e+00 2.52 -3.857169451e+00 2.54 -3.808834476e+00 2.56 -3.757969531e+00 2.58 -3.704883337e+00 2.60 -3.649861743e+00 2.62 -3.593169182e+00 2.64 -3.535050053e+00 2.66 -3.475730014e+00 2.68 -3.415417195e+00 2.70 -3.354303349e+00 2.72 -3.292566685e+00 2.74 -3.230379116e+00 2.76 -3.167877906e+00 2.78 -3.105185406e+00 2.80 -3.042440331e+00 2.82 -2.979756568e+00 2.84 -2.917237914e+00 2.86 -2.854978759e+00 2.88 -2.793064739e+00 2.90 -2.731573347e+00 2.92 -2.670574501e+00 2.94 -2.610131080e+00 2.96 -2.550299428e+00 2.98 -2.491129822e+00 3.00 -2.432666914e+00 3.02 -2.374950141e+00 3.04 -2.318014113e+00 3.06 -2.261888974e+00 3.08 -2.206600739e+00 3.10 -2.152171612e+00 3.12 -2.098620278e+00 3.14 -2.045962182e+00 3.16 -1.994209787e+00 3.18 -1.943372811e+00 3.20 -1.893458457e+00 3.22 -1.844471619e+00 3.24 -1.796415078e+00 3.26 -1.749289686e+00 3.28 -1.703094535e+00 3.30 -1.657827113e+00 3.32 -1.613483456e+00 3.34 -1.570058278e+00 3.36 -1.527545106e+00 3.38 -1.485936393e+00 3.40 -1.445223630e+00 3.42 -1.405397446e+00 3.44 -1.366447706e+00 3.46 -1.328363595e+00 3.48 -1.291133701e+00 3.50 -1.254746089e+00 3.52 -1.219188372e+00 3.54 -1.184447774e+00 3.56 -1.150511188e+00 3.58 -1.117365234e+00 3.60 -1.084996304e+00 3.62 -1.053390612e+00 3.64 -1.022534237e+00 3.66 -9.924131582e-01 3.68 -9.630132930e-01 3.70 -9.343205297e-01 3.72 -9.063207566e-01 3.74 -8.789998890e-01 3.76 -8.523438944e-01 3.78 -8.263388141e-01 3.80 -8.009707842e-01 3.82 -7.762158474e-01 3.84 -7.511654708e-01 3.86 -7.209652612e-01 3.88 -6.736465047e-01 3.90 -6.252311847e-01 3.92 -6.052455520e-01 3.94 -5.857232343e-01 3.96 -5.666553724e-01 3.98 -5.480332005e-01 4.00 -5.298480541e-01 4.02 -5.120913758e-01 4.04 -4.947547209e-01 4.06 -4.778297630e-01 4.08 -4.613082976e-01 4.10 -4.451822462e-01 4.12 -4.294436598e-01 4.14 -4.140847212e-01 4.16 -3.990977474e-01 4.18 -3.844751917e-01 4.20 -3.702096451e-01 4.22 -3.562938371e-01 4.24 -3.427206367e-01 4.26 -3.294830531e-01 4.28 -3.165742353e-01 4.30 -3.039874722e-01 4.32 -2.917161925e-01 4.34 -2.797539637e-01 4.36 -2.680944912e-01 4.38 -2.567316179e-01 4.40 -2.456593220e-01 4.42 -2.345051849e-01 4.44 -2.187689166e-01 4.46 -1.859961774e-01 4.48 -1.113885863e-01 4.50 -2.816506645e-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