# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--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 2025-07-01 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 7.452662111e+02 0.92 6.853657504e+02 0.94 6.301900442e+02 0.96 5.781619512e+02 0.98 5.295627404e+02 1.00 4.845341853e+02 1.02 4.430718175e+02 1.04 4.044613142e+02 1.06 3.670496216e+02 1.08 3.313959974e+02 1.10 2.979522955e+02 1.12 2.669620008e+02 1.14 2.385195670e+02 1.16 2.126152392e+02 1.18 1.891686202e+02 1.20 1.680536133e+02 1.22 1.491167519e+02 1.24 1.321904735e+02 1.26 1.171025710e+02 1.28 1.036827549e+02 1.30 9.176705699e+01 1.32 8.120063622e+01 1.34 7.183941192e+01 1.36 6.355085509e+01 1.38 5.621418062e+01 1.40 4.972012982e+01 1.42 4.397048106e+01 1.44 3.887738918e+01 1.46 3.436263116e+01 1.48 3.035680930e+01 1.50 2.679854956e+01 1.52 2.363372250e+01 1.54 2.081470062e+01 1.56 1.829966401e+01 1.58 1.605195976e+01 1.60 1.403951533e+01 1.62 1.223430767e+01 1.64 1.061188491e+01 1.66 9.150937567e+00 1.68 7.832916794e+00 1.70 6.641694839e+00 1.72 5.563264260e+00 1.74 4.585472456e+00 1.76 3.697786967e+00 1.78 2.891064019e+00 1.80 2.157285992e+00 1.82 1.489393381e+00 1.84 8.811720657e-01 1.86 3.271541811e-01 1.88 -1.774697112e-01 1.90 -6.369281712e-01 1.92 -1.054937565e+00 1.94 -1.434762870e+00 1.96 -1.779271431e+00 1.98 -2.090984598e+00 2.00 -2.372177098e+00 2.02 -2.624973881e+00 2.04 -2.851368538e+00 2.06 -3.053230909e+00 2.08 -3.232314276e+00 2.10 -3.390262168e+00 2.12 -3.528614773e+00 2.14 -3.648814993e+00 2.16 -3.752214174e+00 2.18 -3.840077493e+00 2.20 -3.913589060e+00 2.22 -3.973856727e+00 2.24 -4.021916618e+00 2.26 -4.058737419e+00 2.28 -4.085224406e+00 2.30 -4.102223259e+00 2.32 -4.110523652e+00 2.34 -4.110862635e+00 2.36 -4.103927831e+00 2.38 -4.090360444e+00 2.40 -4.070758093e+00 2.42 -4.045677484e+00 2.44 -4.015636933e+00 2.46 -3.981126446e+00 2.48 -3.943133670e+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 -3.354303344e+00 2.72 -3.292564906e+00 2.74 -3.230364025e+00 2.76 -3.167849499e+00 2.78 -3.105157670e+00 2.80 -3.042413261e+00 2.82 -2.979730161e+00 2.84 -2.917212163e+00 2.86 -2.854953659e+00 2.88 -2.793040284e+00 2.90 -2.731549529e+00 2.92 -2.670551312e+00 2.94 -2.610108514e+00 2.96 -2.550277475e+00 2.98 -2.491108474e+00 3.00 -2.432646162e+00 3.02 -2.374930377e+00 3.04 -2.318000648e+00 3.06 -2.261888717e+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 -7.762260535e-01 3.84 -7.520909999e-01 3.86 -7.285521454e-01 3.88 -7.055961690e-01 3.90 -6.832099188e-01 3.92 -6.613804221e-01 3.94 -6.400948949e-01 3.96 -6.193407495e-01 3.98 -5.991056018e-01 4.00 -5.793772771e-01 4.02 -5.601438154e-01 4.04 -5.413934755e-01 4.06 -5.231147384e-01 4.08 -5.052963105e-01 4.10 -4.879271254e-01 4.12 -4.709963458e-01 4.14 -4.544933642e-01 4.16 -4.384078040e-01 4.18 -4.227295189e-01 4.20 -4.074485935e-01 4.22 -3.925553419e-01 4.24 -3.780403072e-01 4.26 -3.638469026e-01 4.28 -3.489590606e-01 4.30 -3.294570110e-01 4.32 -2.987449406e-01 4.34 -2.797539637e-01 4.36 -2.680944912e-01 4.38 -2.567316179e-01 4.40 -2.456593220e-01 4.42 -2.348717165e-01 4.44 -2.243630469e-01 4.46 -2.141276899e-01 4.48 -2.041601514e-01 4.50 -1.944550643e-01 4.52 -1.850071867e-01 4.54 -1.758113993e-01 4.56 -1.668627031e-01 4.58 -1.581562171e-01 4.60 -1.496871755e-01 4.62 -1.414509251e-01 4.64 -1.334429226e-01 4.66 -1.256587316e-01 4.68 -1.180940200e-01 4.70 -1.107445567e-01 4.72 -1.036062087e-01 4.74 -9.667493796e-02 4.76 -8.994679846e-02 4.78 -8.341793273e-02 4.80 -7.708456878e-02 4.82 -7.094301682e-02 4.84 -6.498966600e-02 4.86 -5.922098105e-02 4.88 -5.363349904e-02 4.90 -4.822382601e-02 4.92 -4.301808475e-02 4.94 -3.849314059e-02 4.96 -3.526710259e-02 4.98 -2.713320846e-02 5.00 -1.623113108e-22 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