# 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 = CoNi2 # 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 7.471229794e+02 0.92 6.849623009e+02 0.94 6.274235290e+02 0.96 5.744536433e+02 0.98 5.258893513e+02 1.00 4.814990513e+02 1.02 4.410119877e+02 1.04 4.035280489e+02 1.06 3.672683684e+02 1.08 3.327105805e+02 1.10 3.002570299e+02 1.12 2.701246317e+02 1.14 2.423972916e+02 1.16 2.170655590e+02 1.18 1.940563726e+02 1.20 1.732552169e+02 1.22 1.545224552e+02 1.24 1.377052028e+02 1.26 1.226458266e+02 1.28 1.091878875e+02 1.30 9.718016768e+01 1.32 8.647927485e+01 1.34 7.695119856e+01 1.36 6.847210808e+01 1.38 6.092860736e+01 1.40 5.421761426e+01 1.42 4.824598665e+01 1.44 4.292998482e+01 1.46 3.819464051e+01 1.48 3.397307825e+01 1.50 3.020582395e+01 1.52 2.684012613e+01 1.54 2.382930300e+01 1.56 2.113212700e+01 1.58 1.871225271e+01 1.60 1.653768910e+01 1.62 1.458031835e+01 1.64 1.281545944e+01 1.66 1.122147397e+01 1.68 9.779412855e+00 1.70 8.472699851e+00 1.72 7.286849251e+00 1.74 6.209214860e+00 1.76 5.228746760e+00 1.78 4.335721678e+00 1.80 3.521556548e+00 1.82 2.778676418e+00 1.84 2.100398219e+00 1.86 1.480827698e+00 1.88 9.147679543e-01 1.90 3.976385525e-01 1.92 -7.459624614e-02 1.94 -5.054911176e-01 1.96 -8.981760420e-01 1.98 -1.255410332e+00 2.00 -1.579684211e+00 2.02 -1.873317677e+00 2.04 -2.138480774e+00 2.06 -2.377202903e+00 2.08 -2.591381574e+00 2.10 -2.782790639e+00 2.12 -2.953088006e+00 2.14 -3.103822898e+00 2.16 -3.236442663e+00 2.18 -3.352299172e+00 2.20 -3.452654821e+00 2.22 -3.538688175e+00 2.24 -3.611499250e+00 2.26 -3.672114495e+00 2.28 -3.721491444e+00 2.30 -3.760523095e+00 2.32 -3.790042020e+00 2.34 -3.810824211e+00 2.36 -3.823592703e+00 2.38 -3.829020960e+00 2.40 -3.827736056e+00 2.42 -3.820321663e+00 2.44 -3.807320846e+00 2.46 -3.789238688e+00 2.48 -3.766544755e+00 2.50 -3.739675402e+00 2.52 -3.709035891e+00 2.54 -3.675002512e+00 2.56 -3.637924408e+00 2.58 -3.598125380e+00 2.60 -3.555905550e+00 2.62 -3.511542930e+00 2.64 -3.465294879e+00 2.66 -3.417399484e+00 2.68 -3.368076834e+00 2.70 -3.317530231e+00 2.72 -3.265947315e+00 2.74 -3.213501114e+00 2.76 -3.160351037e+00 2.78 -3.106643794e+00 2.80 -3.052514264e+00 2.82 -2.998086301e+00 2.84 -2.943473492e+00 2.86 -2.888779866e+00 2.88 -2.834100556e+00 2.90 -2.779522417e+00 2.92 -2.725124606e+00 2.94 -2.670979124e+00 2.96 -2.617151321e+00 2.98 -2.563700370e+00 3.00 -2.510679706e+00 3.02 -2.458137442e+00 3.04 -2.406116755e+00 3.06 -2.354656243e+00 3.08 -2.303790253e+00 3.10 -2.253549217e+00 3.12 -2.203959929e+00 3.14 -2.155045817e+00 3.16 -2.106827205e+00 3.18 -2.059321546e+00 3.20 -2.012543647e+00 3.22 -1.966505871e+00 3.24 -1.921218334e+00 3.26 -1.876689082e+00 3.28 -1.832924260e+00 3.30 -1.789928266e+00 3.32 -1.747703894e+00 3.34 -1.706252473e+00 3.36 -1.665573991e+00 3.38 -1.625667208e+00 3.40 -1.586529770e+00 3.42 -1.548158305e+00 3.44 -1.510548521e+00 3.46 -1.473695288e+00 3.48 -1.437592721e+00 3.50 -1.402234258e+00 3.52 -1.367612722e+00 3.54 -1.333720392e+00 3.56 -1.300549060e+00 3.58 -1.268090085e+00 3.60 -1.236334446e+00 3.62 -1.205272788e+00 3.64 -1.174895467e+00 3.66 -1.145192587e+00 3.68 -1.116154040e+00 3.70 -1.087769542e+00 3.72 -1.060028658e+00 3.74 -1.032920837e+00 3.76 -1.006435438e+00 3.78 -9.805617497e-01 3.80 -9.552890195e-01 3.82 -9.306064698e-01 3.84 -9.065033180e-01 3.86 -8.829687938e-01 3.88 -8.599921548e-01 3.90 -8.375627007e-01 3.92 -8.156697866e-01 3.94 -7.943028340e-01 3.96 -7.734513425e-01 3.98 -7.531048982e-01 4.00 -7.332531834e-01 4.02 -7.138859837e-01 4.04 -6.949931949e-01 4.06 -6.765648295e-01 4.08 -6.585910219e-01 4.10 -6.410620329e-01 4.12 -6.239682546e-01 4.14 -6.073002130e-01 4.16 -5.910485721e-01 4.18 -5.752041356e-01 4.20 -5.597578497e-01 4.22 -5.447008047e-01 4.24 -5.300242361e-01 4.26 -5.156642592e-01 4.28 -5.004460903e-01 4.30 -4.796096635e-01 4.32 -4.460834759e-01 4.34 -4.276147412e-01 4.36 -4.161013856e-01 4.38 -4.048816758e-01 4.40 -3.939487886e-01 4.42 -3.832960264e-01 4.44 -3.729168174e-01 4.46 -3.628047144e-01 4.48 -3.529533949e-01 4.50 -3.433566599e-01 4.52 -3.340084329e-01 4.54 -3.249027594e-01 4.56 -3.160338054e-01 4.58 -3.073958564e-01 4.60 -2.989833160e-01 4.62 -2.907907046e-01 4.64 -2.828126582e-01 4.66 -2.750439266e-01 4.68 -2.674793722e-01 4.70 -2.601139682e-01 4.72 -2.529427972e-01 4.74 -2.459610494e-01 4.76 -2.391640213e-01 4.78 -2.325471135e-01 4.80 -2.261058295e-01 4.82 -2.198357738e-01 4.84 -2.137326501e-01 4.86 -2.077922599e-01 4.88 -2.020105002e-01 4.90 -1.963833626e-01 4.92 -1.906419400e-01 4.94 -1.814021258e-01 4.96 -1.583750731e-01 4.98 -9.816477910e-02 5.00 -1.623614991e-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