# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Devanathan-R-Diaz-de-la-Rubia-T-Weber-W-J--Si-C # implementation = 1998--Devanathan-R--Si-C--LAMMPS--ipr1 # composition = C3Si # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 1.213529810e+03 nan nan 0.66 1.067706992e+03 nan nan 0.68 9.440807236e+02 nan nan 0.70 8.405875811e+02 1.183701322e+03 nan 0.72 7.531371554e+02 1.056853128e+03 1.198357818e+03 0.74 6.823525223e+02 9.521452898e+02 1.076918142e+03 0.76 6.262232079e+02 8.598365690e+02 9.698042430e+02 0.78 5.791531235e+02 7.770790436e+02 8.751882357e+02 0.80 5.377602514e+02 7.062850618e+02 7.932134069e+02 0.82 5.009689911e+02 6.489012654e+02 7.223323056e+02 0.84 4.651923635e+02 6.030660477e+02 6.622441946e+02 0.86 4.290599409e+02 5.632516363e+02 6.092514377e+02 0.88 3.945696657e+02 5.264688335e+02 5.609861268e+02 0.90 3.635624464e+02 4.914340650e+02 5.177051067e+02 0.92 3.368467474e+02 4.581133503e+02 4.803947344e+02 0.94 3.137426986e+02 4.267612076e+02 4.501047895e+02 0.96 2.918011300e+02 3.974668750e+02 4.261908440e+02 0.98 2.688639351e+02 3.696556043e+02 4.035177124e+02 1.00 2.437969163e+02 3.429377157e+02 3.810493287e+02 1.02 2.180418414e+02 3.171670486e+02 3.577798932e+02 1.04 1.930194048e+02 2.929177806e+02 3.343553559e+02 1.06 1.701850158e+02 2.712963623e+02 3.109765792e+02 1.08 1.503553006e+02 2.519951841e+02 2.874029346e+02 1.10 1.345304164e+02 2.345009904e+02 2.644889043e+02 1.12 1.220350726e+02 2.176719640e+02 2.430669950e+02 1.14 1.115710373e+02 2.005378901e+02 2.230168197e+02 1.16 1.019021464e+02 1.834567982e+02 2.039328121e+02 1.18 9.297562642e+01 1.659321105e+02 1.864276828e+02 1.20 8.474958221e+01 1.480564205e+02 1.710429148e+02 1.22 7.718007434e+01 1.304103843e+02 1.579685391e+02 1.24 7.007335920e+01 1.136660612e+02 1.461771269e+02 1.26 6.304007201e+01 9.871556474e+01 1.351734518e+02 1.28 5.617918151e+01 8.625251835e+01 1.248772423e+02 1.30 4.962432517e+01 7.694590214e+01 1.143954313e+02 1.32 4.351312683e+01 7.010050822e+01 1.035954932e+02 1.34 3.798743431e+01 6.403743336e+01 9.277199121e+01 1.36 3.316497622e+01 5.843199649e+01 8.214907655e+01 1.38 2.904389111e+01 5.325357710e+01 7.174388590e+01 1.40 2.562665426e+01 4.847286945e+01 6.182163274e+01 1.42 2.253425357e+01 4.406205393e+01 5.279196262e+01 1.44 1.969554728e+01 3.999487777e+01 4.522443758e+01 1.46 1.714272190e+01 3.624667421e+01 3.952086353e+01 1.48 1.487488403e+01 3.279434095e+01 3.496852527e+01 1.50 1.277117442e+01 2.961629235e+01 3.141813846e+01 1.52 1.077504834e+01 2.669239570e+01 2.836507955e+01 1.54 8.848593070e+00 2.400389844e+01 2.554734540e+01 1.56 7.012705248e+00 2.153317885e+01 2.294845379e+01 1.58 5.224888278e+00 1.921105137e+01 2.055299852e+01 1.60 3.465818231e+00 1.699566878e+01 1.834659035e+01 1.62 1.766181623e+00 1.489306795e+01 1.631579798e+01 1.64 1.635135336e-01 1.290726780e+01 1.444809018e+01 1.66 -1.284818292e+00 1.103269402e+01 1.273177992e+01 1.68 -2.492410958e+00 9.177855507e+00 1.115597089e+01 1.70 -3.356553428e+00 7.347531579e+00 9.710506789e+00 1.72 -3.815578435e+00 5.584206464e+00 8.385923266e+00 1.74 -4.064147815e+00 3.932138926e+00 7.173402707e+00 1.76 -4.258229776e+00 2.437581924e+00 6.064731716e+00 1.78 -4.419488710e+00 1.148878511e+00 5.052261217e+00 1.80 -4.550948126e+00 1.132722895e-01 4.128869063e+00 1.82 -4.661498203e+00 -6.550584678e-01 3.249852182e+00 1.84 -4.756619644e+00 -1.221279236e+00 2.387142336e+00 1.86 -4.834482130e+00 -1.711640830e+00 1.558220352e+00 1.88 -4.893923254e+00 -2.172300723e+00 7.784753696e-01 1.90 -4.934484457e+00 -2.602540806e+00 5.999683184e-02 1.92 -4.956366421e+00 -3.004650916e+00 -5.946770192e-01 1.94 -4.960309509e+00 -3.390662133e+00 -1.206031117e+00 1.96 -4.947416626e+00 -3.752441310e+00 -1.769926994e+00 1.98 -4.917802420e+00 -4.075748244e+00 -2.281884157e+00 2.00 -4.816748763e+00 -4.346381533e+00 -2.739794128e+00 2.02 -4.608685469e+00 -4.550311049e+00 -3.141421987e+00 2.04 -4.293322025e+00 -4.674920921e+00 -3.481730367e+00 2.06 -3.880011321e+00 -4.712386250e+00 -3.751668759e+00 2.08 -3.388277538e+00 -4.665372340e+00 -3.940302671e+00 2.10 -2.846799709e+00 -4.552192100e+00 -4.040608057e+00 2.12 -2.284053619e+00 -4.420369202e+00 -4.075208230e+00 2.14 -1.724277841e+00 -4.303430104e+00 -4.081681583e+00 2.16 -1.197041758e+00 -4.207427628e+00 -4.078157405e+00 2.18 -7.332498689e-01 -4.133923640e+00 -4.065651080e+00 2.20 -3.632683828e-01 -4.063842375e+00 -4.045044633e+00 2.22 -1.140245606e-01 -3.982007344e+00 -4.011918115e+00 2.24 -4.554269712e-03 -3.835633374e+00 -3.934033333e+00 2.26 0.000000000e+00 -3.621191958e+00 -3.802808930e+00 2.28 0.000000000e+00 -3.346614652e+00 -3.615292411e+00 2.30 0.000000000e+00 -3.021866187e+00 -3.370175185e+00 2.32 0.000000000e+00 -2.658709554e+00 -3.068834254e+00 2.34 0.000000000e+00 -2.270412992e+00 -2.716242866e+00 2.36 0.000000000e+00 -1.871402240e+00 -2.321669089e+00 2.38 0.000000000e+00 -1.476857703e+00 -1.899072428e+00 2.40 0.000000000e+00 -1.102248097e+00 -1.467090824e+00 2.42 0.000000000e+00 -7.627807399e-01 -1.048488185e+00 2.44 0.000000000e+00 -4.727370146e-01 -6.689166924e-01 2.46 0.000000000e+00 -2.446565112e-01 -3.548542995e-01 2.48 0.000000000e+00 -8.834525632e-02 -1.306274867e-01 2.50 0.000000000e+00 -9.717519015e-03 -1.454285263e-02 2.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00