# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = SiTi2 # 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 2.300034404e+03 0.78 2.093228075e+03 0.80 1.907881422e+03 0.82 1.742299453e+03 0.84 1.593526837e+03 0.86 1.459548732e+03 0.88 1.338696627e+03 0.90 1.228705187e+03 0.92 1.127701704e+03 0.94 1.035184336e+03 0.96 9.507692535e+02 0.98 8.739126079e+02 1.00 8.038353512e+02 1.02 7.396173625e+02 1.04 6.808862207e+02 1.06 6.272553471e+02 1.08 5.781941980e+02 1.10 5.334107680e+02 1.12 4.925676196e+02 1.14 4.553421020e+02 1.16 4.213269881e+02 1.18 3.898955405e+02 1.20 3.605211786e+02 1.22 3.328518729e+02 1.24 3.070681822e+02 1.26 2.833295904e+02 1.28 2.613148248e+02 1.30 2.407148493e+02 1.32 2.215368464e+02 1.34 2.038105365e+02 1.36 1.875530205e+02 1.38 1.727513833e+02 1.40 1.592685637e+02 1.42 1.470005372e+02 1.44 1.356442575e+02 1.46 1.251099292e+02 1.48 1.153824892e+02 1.50 1.064402064e+02 1.52 9.821755492e+01 1.54 9.060950628e+01 1.56 8.350913680e+01 1.58 7.678365867e+01 1.60 7.042299543e+01 1.62 6.441970723e+01 1.64 5.876482000e+01 1.66 5.343153466e+01 1.68 4.840159203e+01 1.70 4.366629288e+01 1.72 3.921711349e+01 1.74 3.506010577e+01 1.76 3.120388603e+01 1.78 2.765864504e+01 1.80 2.443425579e+01 1.82 2.153747620e+01 1.84 1.896870844e+01 1.86 1.671683364e+01 1.88 1.468295606e+01 1.90 1.281376856e+01 1.92 1.109864270e+01 1.94 9.526989327e+00 1.96 8.082630572e+00 1.98 6.748715558e+00 2.00 5.515352014e+00 2.02 4.359969555e+00 2.04 3.274458737e+00 2.06 2.266410379e+00 2.08 1.343193056e+00 2.10 5.083328958e-01 2.12 -2.407099311e-01 2.14 -9.131645578e-01 2.16 -1.522317250e+00 2.18 -2.079124296e+00 2.20 -2.581065888e+00 2.22 -3.029245276e+00 2.24 -3.427879149e+00 2.26 -3.781397658e+00 2.28 -4.094300070e+00 2.30 -4.370993230e+00 2.32 -4.615628176e+00 2.34 -4.831953570e+00 2.36 -5.023205131e+00 2.38 -5.192038263e+00 2.40 -5.339132788e+00 2.42 -5.465153171e+00 2.44 -5.571654819e+00 2.46 -5.660094962e+00 2.48 -5.731838490e+00 2.50 -5.788163454e+00 2.52 -5.830266248e+00 2.54 -5.859266485e+00 2.56 -5.876211599e+00 2.58 -5.882081170e+00 2.60 -5.877791003e+00 2.62 -5.864196967e+00 2.64 -5.842098613e+00 2.66 -5.812242577e+00 2.68 -5.775325788e+00 2.70 -5.731998487e+00 2.72 -5.682867068e+00 2.74 -5.628496756e+00 2.76 -5.569414125e+00 2.78 -5.506109470e+00 2.80 -5.439039039e+00 2.82 -5.368627135e+00 2.84 -5.295258390e+00 2.86 -5.216151251e+00 2.88 -5.129175818e+00 2.90 -5.034767163e+00 2.92 -4.933412934e+00 2.94 -4.825657156e+00 2.96 -4.712071718e+00 2.98 -4.585617612e+00 3.00 -4.441265159e+00 3.02 -4.280134353e+00 3.04 -4.103484062e+00 3.06 -3.912719117e+00 3.08 -3.709394683e+00 3.10 -3.495217630e+00 3.12 -3.272044657e+00 3.14 -3.041876841e+00 3.16 -2.806850242e+00 3.18 -2.569222087e+00 3.20 -2.331351988e+00 3.22 -2.095677601e+00 3.24 -1.864684109e+00 3.26 -1.640867074e+00 3.28 -1.426688410e+00 3.30 -1.224525708e+00 3.32 -1.036615759e+00 3.34 -8.649939431e-01 3.36 -7.114320625e-01 3.38 -5.746745154e-01 3.40 -4.508351261e-01 3.42 -3.408616791e-01 3.44 -2.456269681e-01 3.46 -1.657753858e-01 3.48 -1.016920509e-01 3.50 -5.347785749e-02 3.52 -2.093366450e-02 3.54 -3.556523941e-03 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 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