# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = FeNi2 # 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 3.143990916e+02 0.86 2.935383118e+02 0.88 2.739860128e+02 0.90 2.556607052e+02 0.92 2.384861511e+02 0.94 2.223910102e+02 0.96 2.073085067e+02 0.98 1.931761197e+02 1.00 1.799352941e+02 1.02 1.675311714e+02 1.04 1.559123395e+02 1.06 1.450306013e+02 1.08 1.348407587e+02 1.10 1.253004130e+02 1.12 1.163697804e+02 1.14 1.080115195e+02 1.16 1.001905730e+02 1.18 9.287401976e+01 1.20 8.603093813e+01 1.22 7.963227872e+01 1.24 7.365074649e+01 1.26 6.806069101e+01 1.28 6.283800430e+01 1.30 5.796002586e+01 1.32 5.340545398e+01 1.34 4.915426315e+01 1.36 4.518762682e+01 1.38 4.148784534e+01 1.40 3.803827847e+01 1.42 3.482328225e+01 1.44 3.182814984e+01 1.46 2.903905606e+01 1.48 2.644300537e+01 1.50 2.402778303e+01 1.52 2.178190922e+01 1.54 1.969459592e+01 1.56 1.775570638e+01 1.58 1.595571696e+01 1.60 1.428568125e+01 1.62 1.273719630e+01 1.64 1.130237076e+01 1.66 9.973794948e+00 1.68 8.744512600e+00 1.70 7.607994248e+00 1.72 6.558112162e+00 1.74 5.589116696e+00 1.76 4.695614014e+00 1.78 3.872545083e+00 1.80 3.115165865e+00 1.82 2.419028644e+00 1.84 1.779964433e+00 1.86 1.194066367e+00 1.88 6.576740643e-01 1.90 1.673588805e-01 1.92 -2.800894531e-01 1.94 -6.876657478e-01 1.96 -1.058201837e+00 1.98 -1.394331050e+00 2.00 -1.698509812e+00 2.02 -1.973041817e+00 2.04 -2.220081026e+00 2.06 -2.441640834e+00 2.08 -2.639602692e+00 2.10 -2.815724237e+00 2.12 -2.971646936e+00 2.14 -3.108903286e+00 2.16 -3.228923587e+00 2.18 -3.333042319e+00 2.20 -3.422504133e+00 2.22 -3.498469507e+00 2.24 -3.562020118e+00 2.26 -3.614163502e+00 2.28 -3.655838127e+00 2.30 -3.687917740e+00 2.32 -3.711215359e+00 2.34 -3.726487229e+00 2.36 -3.734436476e+00 2.38 -3.735716537e+00 2.40 -3.730934379e+00 2.42 -3.720653525e+00 2.44 -3.705396889e+00 2.46 -3.685649436e+00 2.48 -3.661860683e+00 2.50 -3.634447037e+00 2.52 -3.603793990e+00 2.54 -3.570258178e+00 2.56 -3.534169306e+00 2.58 -3.495831957e+00 2.60 -3.455527281e+00 2.62 -3.413514578e+00 2.64 -3.370032781e+00 2.66 -3.325301843e+00 2.68 -3.279524032e+00 2.70 -3.232884607e+00 2.72 -3.185327355e+00 2.74 -3.135769734e+00 2.76 -3.085844402e+00 2.78 -3.037437645e+00 2.80 -2.988886355e+00 2.82 -2.940298862e+00 2.84 -2.891773542e+00 2.86 -2.843399511e+00 2.88 -2.795257275e+00 2.90 -2.747419335e+00 2.92 -2.699950750e+00 2.94 -2.652909655e+00 2.96 -2.606347748e+00 2.98 -2.560310740e+00 3.00 -2.514838770e+00 3.02 -2.469966794e+00 3.04 -2.425724939e+00 3.06 -2.382138836e+00 3.08 -2.339229927e+00 3.10 -2.297015744e+00 3.12 -2.255510175e+00 3.14 -2.214723699e+00 3.16 -2.174663618e+00 3.18 -2.135334254e+00 3.20 -2.096737149e+00 3.22 -2.058871238e+00 3.24 -2.021733015e+00 3.26 -1.985316692e+00 3.28 -1.949614345e+00 3.30 -1.914616053e+00 3.32 -1.880310032e+00 3.34 -1.846682769e+00 3.36 -1.813719148e+00 3.38 -1.781402578e+00 3.40 -1.749715123e+00 3.42 -1.718637636e+00 3.44 -1.688149890e+00 3.46 -1.658230722e+00 3.48 -1.628858182e+00 3.50 -1.600009683e+00 3.52 -1.571662169e+00 3.54 -1.543792279e+00 3.56 -1.516376528e+00 3.58 -1.489391489e+00 3.60 -1.462813983e+00 3.62 -1.436621265e+00 3.64 -1.410791221e+00 3.66 -1.385302554e+00 3.68 -1.360134965e+00 3.70 -1.335269328e+00 3.72 -1.310687845e+00 3.74 -1.286374186e+00 3.76 -1.262313609e+00 3.78 -1.238493050e+00 3.80 -1.214901187e+00 3.82 -1.191521869e+00 3.84 -1.167488775e+00 3.86 -1.131369144e+00 3.88 -1.017806077e+00 3.90 -8.668396201e-01 3.92 -8.441159847e-01 3.94 -8.217901778e-01 3.96 -7.998568600e-01 3.98 -7.783106402e-01 4.00 -7.571460900e-01 4.02 -7.363577566e-01 4.04 -7.159401749e-01 4.06 -6.958878793e-01 4.08 -6.761954136e-01 4.10 -6.568573413e-01 4.12 -6.378682545e-01 4.14 -6.192227827e-01 4.16 -6.009156004e-01 4.18 -5.829414347e-01 4.20 -5.652950721e-01 4.22 -5.479713651e-01 4.24 -5.309652382e-01 4.26 -5.142716935e-01 4.28 -4.978858157e-01 4.30 -4.818027776e-01 4.32 -4.660178441e-01 4.34 -4.505263769e-01 4.36 -4.353238384e-01 4.38 -4.204057953e-01 4.40 -4.057679223e-01 4.42 -3.906439577e-01 4.44 -3.655965379e-01 4.46 -3.059554869e-01 4.48 -1.739838903e-01 4.50 -1.773102588e-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