# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2 # 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 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 3.192648811e+04 1.00 2.839174557e+04 1.02 2.513169138e+04 1.04 2.210781767e+04 1.06 1.929487315e+04 1.08 1.667735725e+04 1.10 1.424524567e+04 1.12 1.199235050e+04 1.14 9.912961286e+03 1.16 7.997900456e+03 1.18 6.233767444e+03 1.20 4.604131446e+03 1.22 3.105688309e+03 1.24 2.157038732e+03 1.26 1.719471359e+03 1.28 1.537438341e+03 1.30 1.428579365e+03 1.32 1.323615451e+03 1.34 1.221890372e+03 1.36 1.124318996e+03 1.38 1.031427867e+03 1.40 9.435656340e+02 1.42 8.610413391e+02 1.44 7.839955259e+02 1.46 7.123638242e+02 1.48 6.458774143e+02 1.50 5.842334185e+02 1.52 5.271922076e+02 1.54 4.745236392e+02 1.56 4.259839141e+02 1.58 3.813344168e+02 1.60 3.403350677e+02 1.62 3.027478945e+02 1.64 2.683696525e+02 1.66 2.370273014e+02 1.68 2.085470980e+02 1.70 1.827510143e+02 1.72 1.594661160e+02 1.74 1.385240327e+02 1.76 1.197482911e+02 1.78 1.029412000e+02 1.80 8.791364483e+01 1.82 7.452889848e+01 1.84 6.268094169e+01 1.86 5.225727540e+01 1.88 4.313766084e+01 1.90 3.520619976e+01 1.92 2.835359683e+01 1.94 2.247760183e+01 1.96 1.748296012e+01 1.98 1.327962112e+01 2.00 9.777143317e+00 2.02 6.878744284e+00 2.04 4.489115061e+00 2.06 2.533373139e+00 2.08 9.577487893e-01 2.10 -2.854682104e-01 2.12 -1.246229107e+00 2.14 -1.973801908e+00 2.16 -2.512934559e+00 2.18 -2.903477023e+00 2.20 -3.180327399e+00 2.22 -3.373290525e+00 2.24 -3.506900491e+00 2.26 -3.600256048e+00 2.28 -3.666878874e+00 2.30 -3.714579605e+00 2.32 -3.745582478e+00 2.34 -3.759164992e+00 2.36 -3.754940479e+00 2.38 -3.735204361e+00 2.40 -3.707037071e+00 2.42 -3.680538614e+00 2.44 -3.662235140e+00 2.46 -3.651144057e+00 2.48 -3.642020248e+00 2.50 -3.630295964e+00 2.52 -3.614225777e+00 2.54 -3.593885402e+00 2.56 -3.569543652e+00 2.58 -3.541439345e+00 2.60 -3.509800012e+00 2.62 -3.474848725e+00 2.64 -3.436810269e+00 2.66 -3.395918414e+00 2.68 -3.352421691e+00 2.70 -3.306585254e+00 2.72 -3.258686674e+00 2.74 -3.209002986e+00 2.76 -3.157788358e+00 2.78 -3.105246860e+00 2.80 -3.051509760e+00 2.82 -2.996666992e+00 2.84 -2.940803288e+00 2.86 -2.884003452e+00 2.88 -2.826341484e+00 2.90 -2.767871825e+00 2.92 -2.708612455e+00 2.94 -2.648520564e+00 2.96 -2.587460531e+00 2.98 -2.525164704e+00 3.00 -2.461190691e+00 3.02 -2.394882242e+00 3.04 -2.325349788e+00 3.06 -2.251511647e+00 3.08 -2.172270610e+00 3.10 -2.086926182e+00 3.12 -1.995888317e+00 3.14 -1.901465915e+00 3.16 -1.808010894e+00 3.18 -1.720712833e+00 3.20 -1.643393935e+00 3.22 -1.576934592e+00 3.24 -1.519527554e+00 3.26 -1.468186145e+00 3.28 -1.420295677e+00 3.30 -1.374293757e+00 3.32 -1.329516721e+00 3.34 -1.285659318e+00 3.36 -1.243078011e+00 3.38 -1.203611371e+00 3.40 -1.170122601e+00 3.42 -1.143414731e+00 3.44 -1.121870301e+00 3.46 -1.103696291e+00 3.48 -1.087718937e+00 3.50 -1.073243868e+00 3.52 -1.059848391e+00 3.54 -1.047263541e+00 3.56 -1.035311585e+00 3.58 -1.023871186e+00 3.60 -1.012857095e+00 3.62 -1.002207867e+00 3.64 -9.918781698e-01 3.66 -9.818338513e-01 3.68 -9.720486714e-01 3.70 -9.625021004e-01 3.72 -9.531777952e-01 3.74 -9.440625253e-01 3.76 -9.351453951e-01 3.78 -9.264172711e-01 3.80 -9.178703539e-01 3.82 -9.094978419e-01 3.84 -9.012936718e-01 3.86 -8.932523082e-01 3.88 -8.853683831e-01 3.90 -8.776363622e-01 3.92 -8.700512041e-01 3.94 -8.626095309e-01 3.96 -8.553084375e-01 3.98 -8.481420370e-01 4.00 -8.411000625e-01 4.02 -8.341801189e-01 4.04 -8.273767810e-01 4.06 -8.206846191e-01 4.08 -8.140982177e-01 4.10 -8.076121761e-01 4.12 -8.012211036e-01 4.14 -7.949196170e-01 4.16 -7.887023360e-01 4.18 -7.825638793e-01 4.20 -7.764988582e-01 4.22 -7.705018743e-01 4.24 -7.645675118e-01 4.26 -7.586903315e-01 4.28 -7.528648648e-01 4.30 -7.470856073e-01 4.32 -7.413470122e-01 4.34 -7.356434830e-01 4.36 -7.299693681e-01 4.38 -7.243189536e-01 4.40 -7.186864579e-01 4.42 -7.130660254e-01 4.44 -7.074517242e-01 4.46 -7.018375413e-01 4.48 -6.962173802e-01 4.50 -6.905850609e-01 4.52 -6.849343215e-01 4.54 -6.792588204e-01 4.56 -6.735521425e-01 4.58 -6.678078074e-01 4.60 -6.620192795e-01 4.62 -6.561799820e-01 4.64 -6.502833142e-01 4.66 -6.443226722e-01 4.68 -6.382914719e-01 4.70 -6.321831798e-01 4.72 -6.259913451e-01 4.74 -6.197096333e-01 4.76 -6.133318709e-01 4.78 -6.068520879e-01 4.80 -6.002645653e-01 4.82 -5.935638898e-01 4.84 -5.867450071e-01 4.86 -5.798032775e-01 4.88 -5.727345387e-01 4.90 -5.655351599e-01 4.92 -5.582020926e-01 4.94 -5.507329779e-01 4.96 -5.431259606e-01 4.98 -5.353805727e-01 5.00 -5.274951905e-01 5.02 -5.194724361e-01 5.04 -5.113162233e-01 5.06 -5.030052563e-01 5.08 -4.945857818e-01 5.10 -4.860891175e-01 5.12 -4.773613541e-01 5.14 -4.683707298e-01 5.16 -4.594864218e-01 5.18 -4.508975822e-01 5.20 -4.422886639e-01 5.22 -4.331250428e-01 5.24 -4.233075797e-01 5.26 -4.128313707e-01 5.28 -4.020333725e-01 5.30 -3.912553378e-01 5.32 -3.806156630e-01 5.34 -3.700937221e-01 5.36 -3.597737788e-01 5.38 -3.496875335e-01 5.40 -3.398341607e-01 5.42 -3.301985303e-01 5.44 -3.207609552e-01 5.46 -3.115018912e-01 5.48 -3.024041059e-01 5.50 -2.934519176e-01 5.52 -2.846309905e-01 5.54 -2.759323786e-01 5.56 -2.673473659e-01 5.58 -2.588655870e-01 5.60 -2.504770271e-01 5.62 -2.421757699e-01 5.64 -2.339540776e-01 5.66 -2.258028829e-01 5.68 -2.177111034e-01 5.70 -2.096638904e-01 5.72 -2.016424928e-01 5.74 -1.936239637e-01 5.76 -1.855808672e-01 5.78 -1.774811588e-01 5.80 -1.692884754e-01 5.82 -1.609627071e-01 5.84 -1.524615062e-01 5.86 -1.437423225e-01 5.88 -1.347688254e-01 5.90 -1.255131021e-01 5.92 -1.159619444e-01 5.94 -1.061402474e-01 5.96 -9.610643754e-02 5.98 -8.596742172e-02 6.00 -7.590789714e-02