# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Bonny-G-Bakaev-A-Terentyev-D--Fe-C-Cr # implementation = 2022--Bonny-G--Fe-C-Cr--LAMMPS--ipr1 # composition = C3Fe # 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 2024-01-04 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 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 -4.222944256e+09 nan nan 0.88 -3.682459102e+09 nan nan 0.90 -3.230703917e+09 nan nan 0.92 -2.848426785e+09 nan nan 0.94 -2.522370056e+09 nan nan 0.96 -2.242904982e+09 -3.677270076e+09 -4.352831800e+09 0.98 -2.001866537e+09 -3.256804176e+09 -3.827165827e+09 1.00 -1.791784897e+09 -2.898829454e+09 -3.378625247e+09 1.02 -1.606813974e+09 -2.591303201e+09 -2.992965588e+09 1.04 -1.442385313e+09 -2.324430562e+09 -2.658485272e+09 1.06 -1.295032231e+09 -2.091340411e+09 -2.365878975e+09 1.08 -1.162298625e+09 -1.886214851e+09 -2.108734583e+09 1.10 -1.042047205e+09 -1.704037733e+09 -1.881856014e+09 1.12 -9.327379439e+08 -1.540960436e+09 -1.680799644e+09 1.14 -8.334757440e+08 -1.394593308e+09 -1.502445117e+09 1.16 -7.434929897e+08 -1.263047258e+09 -1.344294232e+09 1.18 -6.621223076e+08 -1.144425502e+09 -1.204148230e+09 1.20 -5.889420025e+08 -1.036864113e+09 -1.080248025e+09 1.22 -5.235226006e+08 -9.389720275e+08 -9.711718218e+08 1.24 -4.651776589e+08 -8.497906255e+08 -8.749048613e+08 1.26 -4.131944829e+08 -7.684797636e+08 -7.893878077e+08 1.28 -3.670233139e+08 -6.942772070e+08 -7.129676546e+08 1.30 -3.261195860e+08 -6.264820470e+08 -6.446188607e+08 1.32 -2.899243218e+08 -5.644108616e+08 -5.835199519e+08 1.34 -2.579330969e+08 -5.075148241e+08 -5.289326041e+08 1.36 -2.296886249e+08 -4.555204776e+08 -4.801017500e+08 1.38 -2.048094748e+08 -4.082755558e+08 -4.362879234e+08 1.40 -1.829940515e+08 -3.655969034e+08 -3.968933284e+08 1.42 -1.638881368e+08 -3.272726859e+08 -3.614188254e+08 1.44 -1.471367210e+08 -2.930670818e+08 -3.294079427e+08 1.46 -1.324298161e+08 -2.627277806e+08 -3.004600262e+08 1.48 -1.194973114e+08 -2.359894083e+08 -2.742285224e+08 1.50 -1.081041499e+08 -2.124905464e+08 -2.504063860e+08 1.52 -9.804002077e+07 -1.917761726e+08 -2.287099347e+08 1.54 -8.912531102e+07 -1.734504522e+08 -2.089096831e+08 1.56 -8.120613606e+07 -1.572079843e+08 -1.908465478e+08 1.58 -7.414854614e+07 -1.427857269e+08 -1.743785804e+08 1.60 -6.783438951e+07 -1.299536239e+08 -1.593742382e+08 1.62 -6.216081930e+07 -1.185106890e+08 -1.457091321e+08 1.64 -5.703955494e+07 -1.082835576e+08 -1.332675350e+08 1.66 -5.239451353e+07 -9.912000614e+07 -1.219433330e+08 1.68 -4.815997659e+07 -9.088547373e+07 -1.116388205e+08 1.70 -4.428070413e+07 -8.346145792e+07 -1.022640470e+08 1.72 -4.071837858e+07 -7.674362732e+07 -9.372765478e+07 1.74 -3.744542857e+07 -7.064059103e+07 -8.593253140e+07 1.76 -3.443684388e+07 -6.507232706e+07 -7.880905258e+07 1.78 -3.166979374e+07 -5.997125795e+07 -7.229750333e+07 1.80 -2.912343622e+07 -5.528712264e+07 -6.634337280e+07 1.82 -2.677874550e+07 -5.097805750e+07 -6.089692390e+07 1.84 -2.461834780e+07 -4.701284968e+07 -5.591279589e+07 1.86 -2.262618386e+07 -4.336421293e+07 -5.134963996e+07 1.88 -2.078737459e+07 -4.000655730e+07 -4.716998394e+07 1.90 -1.908842255e+07 -3.691632853e+07 -4.333986566e+07 1.92 -1.751710114e+07 -3.407183939e+07 -3.982781644e+07 1.94 -1.606234475e+07 -3.145311675e+07 -3.660510629e+07 1.96 -1.471419835e+07 -2.904176282e+07 -3.364562111e+07 1.98 -1.346378963e+07 -2.682085011e+07 -3.092563753e+07 2.00 -1.230342939e+07 -2.477495100e+07 -2.842361680e+07 2.02 -1.122806218e+07 -2.288992069e+07 -2.612001618e+07 2.04 -1.023352874e+07 -2.115268805e+07 -2.399717109e+07 2.06 -9.315726800e+06 -1.955117784e+07 -2.204110072e+07 2.08 -8.470624526e+06 -1.807424331e+07 -2.024139177e+07 2.10 -7.694206415e+06 -1.671151418e+07 -1.858822371e+07 2.12 -6.982374981e+06 -1.545316759e+07 -1.707176167e+07 2.14 -6.330679434e+06 -1.429011558e+07 -1.568109866e+07 2.16 -5.734769832e+06 -1.321406849e+07 -1.440578794e+07 2.18 -5.190412353e+06 -1.221748258e+07 -1.323623281e+07 2.20 -4.693574920e+06 -1.129349283e+07 -1.216361708e+07 2.22 -4.240510448e+06 -1.043580690e+07 -1.117984125e+07 2.24 -3.827738524e+06 -9.638646523e+06 -1.027746405e+07 2.26 -3.452027091e+06 -8.896782700e+06 -9.449648775e+06 2.28 -3.110375882e+06 -8.205500696e+06 -8.690117111e+06 2.30 -2.800011408e+06 -7.560778677e+06 -7.993171000e+06 2.32 -2.518371730e+06 -6.959245376e+06 -7.353640939e+06 2.34 -2.263077490e+06 -6.397825177e+06 -6.766754328e+06 2.36 -2.031910602e+06 -5.873695852e+06 -6.228101619e+06 2.38 -1.822807233e+06 -5.384278622e+06 -5.733611654e+06 2.40 -1.633858168e+06 -4.927642920e+06 -5.279529547e+06 2.42 -1.463299116e+06 -4.502543983e+06 -4.862363851e+06 2.44 -1.309487846e+06 -4.107699930e+06 -4.478782654e+06 2.46 -1.170815221e+06 -3.741789736e+06 -4.125685371e+06 2.48 -1.045782274e+06 -3.403473086e+06 -3.800248786e+06 2.50 -9.330394164e+05 -3.091397549e+06 -3.499925684e+06 2.52 -8.313723617e+05 -2.804205734e+06 -3.222418958e+06 2.54 -7.397080858e+05 -2.540542335e+06 -2.965658105e+06 2.56 -6.571527413e+05 -2.299060992e+06 -2.727778085e+06 2.58 -5.829032254e+05 -2.078427216e+06 -2.507100314e+06 2.60 -5.162179818e+05 -1.877196936e+06 -2.302115604e+06 2.62 -4.564130135e+05 -1.693830620e+06 -2.111468839e+06 2.64 -4.028581062e+05 -1.526886499e+06 -1.933987919e+06 2.66 -3.549732522e+05 -1.375026551e+06 -1.768886909e+06 2.68 -3.122252677e+05 -1.237009886e+06 -1.615527770e+06 2.70 -2.741245952e+05 -1.111686518e+06 -1.473290111e+06 2.72 -2.402222832e+05 -9.979915190e+05 -1.341571121e+06 2.74 -2.101071359e+05 -8.949395239e+05 -1.219785847e+06 2.76 -1.834030252e+05 -8.016195601e+05 -1.107367455e+06 2.78 -1.597663582e+05 -7.171901957e+05 -1.003767467e+06 2.80 -1.388836932e+05 -6.408765816e+05 -9.084559657e+05 2.82 -1.204694999e+05 -5.719728837e+05 -8.209217737e+05 2.84 -1.042640530e+05 -5.098307006e+05 -7.406725953e+05 2.86 -9.003145506e+04 -4.538518661e+05 -6.672351245e+05 2.88 -7.755778571e+04 -4.034850905e+05 -6.001551134e+05 2.90 -6.664937477e+04 -3.582227927e+05 -5.389974025e+05 2.92 -5.713116534e+04 -3.175981080e+05 -4.833459084e+05 2.94 -4.884519131e+04 -2.811820663e+05 -4.328035698e+05 2.96 -4.164916114e+04 -2.485809319e+05 -3.869922499e+05 2.98 -3.541513730e+04 -2.194336978e+05 -3.455518672e+05 3.00 -3.002830645e+04 -1.934097289e+05 -3.081261733e+05 3.02 -2.538583551e+04 -1.702065452e+05 -2.743683876e+05 3.04 -2.139580907e+04 -1.495477476e+05 -2.439573559e+05 3.06 -1.797624374e+04 -1.311810360e+05 -2.165965587e+05 3.08 -1.505417518e+04 -1.148764210e+05 -1.920124949e+05 3.10 -1.256481363e+04 -1.004244801e+05 -1.699531536e+05 3.12 -1.045076411e+04 -8.763476017e+04 -1.501865708e+05 3.14 -8.661321405e+03 -7.633427826e+04 -1.324994690e+05 3.16 -7.151751614e+03 -6.636612233e+04 -1.166959732e+05 3.18 -5.882769655e+03 -5.758814510e+04 -1.025963997e+05 3.20 -4.819923944e+03 -4.987174795e+04 -9.003611589e+04 3.22 -3.933100277e+03 -4.310074980e+04 -7.886447901e+04 3.24 -3.196055287e+03 -3.717033663e+04 -6.894427046e+04 3.26 -2.585991062e+03 -3.198608351e+04 -6.015077650e+04 3.28 -2.083168125e+03 -2.746304941e+04 -5.237016935e+04 3.30 -1.670554128e+03 -2.352493958e+04 -4.549864915e+04 3.32 -1.333505700e+03 -2.010333102e+04 -3.944169442e+04 3.34 -1.059481054e+03 -1.713695728e+04 -3.411335818e+04 3.36 -8.377810571e+02 -1.457104890e+04 -2.943560761e+04 3.38 -6.593165746e+02 -1.235672599e+04 -2.533770513e+04 3.40 -5.164000459e+02 -1.045043972e+04 -2.175562905e+04 3.42 -4.025593280e+02 -8.813459390e+03 -1.863153175e+04 3.44 -3.123719705e+02 -7.411402168e+03 -1.591323350e+04 3.46 -2.413181837e+02 -6.213802527e+03 -1.355375023e+04 3.48 -1.856508647e+02 -5.193718639e+03 -1.151085346e+04 3.50 -1.422811443e+02 -4.327373179e+03 -9.746660751e+03 3.52 -1.086780144e+02 -3.593834785e+03 -8.227268312e+03 3.54 -8.278068753e+01 -2.974683616e+03 -6.922342710e+03 3.56 -6.292242950e+01 -2.453796214e+03 -5.804876530e+03 3.58 -4.776469236e+01 -2.017062592e+03 -4.850828948e+03 3.60 -3.624045868e+01 -1.652173321e+03 -4.038859526e+03 3.62 -2.750578778e+01 -1.348418476e+03 -3.350069472e+03 3.64 -2.089863174e+01 -1.096506078e+03 -2.767763243e+03 3.66 -1.590406301e+01 -8.883730567e+02 -2.277229243e+03 3.68 -1.212512599e+01 -7.170166425e+02 -1.865538459e+03 3.70 -9.258593097e+00 -5.764406142e+02 -1.521359891e+03 3.72 -7.075206253e+00 -4.615379710e+02 -1.234791691e+03 3.74 -5.407660665e+00 -3.679735026e+02 -9.972069915e+02 3.76 -4.134156030e+00 -2.920797405e+02 -8.011134233e+02 3.78 -3.160959288e+00 -2.307650405e+02 -6.400253895e+02 3.80 -2.414365942e+00 -1.814326382e+02 -5.083481944e+02 3.82 -1.839255332e+00 -1.419095950e+02 -4.012731756e+02 3.84 -1.394779115e+00 -1.103846372e+02 -3.146830287e+02 3.86 -1.050567952e+00 -8.535396262e+01 -2.450665538e+02 3.88 -7.838948958e-01 -6.557416410e+01 -1.894420958e+02 3.90 -5.775887874e-01 -5.002148720e+01 -1.452889861e+02 3.92 -4.185242361e-01 -3.785670464e+01 -1.104863356e+02 3.94 -2.965450606e-01 -2.839499610e+01 -8.325856198e+01 3.96 -2.037054208e-01 -2.108441893e+01 -6.212707198e+01 3.98 -1.337372611e-01 -1.548339802e+01 -4.586755517e+01 4.00 -8.167412451e-02 -1.123177981e+01 -3.347237678e+01 4.02 -4.357987797e-02 -8.036794901e+00 -2.411759204e+01 4.04 -1.634641514e-02 -5.662109818e+00 -1.713413511e+01 4.06 2.463029246e-03 -3.918369667e+00 -1.198276627e+01 4.08 1.475943215e-02 -2.655071530e+00 -8.232390461e+00 4.10 2.216279591e-02 -1.753620436e+00 -5.541388581e+00 4.12 2.599902378e-02 -1.121431206e+00 -3.641630234e+00 4.14 2.729824661e-02 -6.869505700e-01 -2.324862657e+00 4.16 2.685184027e-02 -3.954846219e-01 -1.431195738e+00 4.18 2.526027220e-02 -2.057269068e-01 -8.394269759e-01 4.20 2.297269443e-02 -8.689227423e-02 -4.589731386e-01 4.22 2.031943022e-02 -1.636959613e-02 -2.231435947e-01 4.24 1.753838781e-02 2.215178132e-02 -8.367841422e-02 4.26 1.479632769e-02 4.017377353e-02 -6.621788154e-03 4.28 1.220580773e-02 4.563491245e-02 3.136829401e-02 4.30 9.838535322e-03 4.388582266e-02 4.596469512e-02 4.32 7.735765689e-03 3.843293479e-02 4.741041030e-02 4.34 5.916301620e-03 3.149534382e-02 4.218960135e-02 4.36 4.382572189e-03 2.441341846e-02 3.424826771e-02 4.38 3.125195773e-03 1.794194325e-02 2.586465225e-02 4.40 2.126366683e-03 1.245522912e-02 1.825315566e-02 4.42 1.362344486e-03 8.086759529e-03 1.197066761e-02 4.44 8.052707905e-04 4.821548713e-03 7.180816031e-03 4.46 4.244899024e-04 2.555475719e-03 3.819688413e-03 4.48 1.875072527e-04 1.132422991e-03 1.696090122e-03 4.50 6.068294982e-05 3.670909856e-04 5.503752661e-04 4.52 9.727134691e-06 5.888095995e-05 8.831478257e-05 4.54 3.907020185e-08 2.365315506e-07 3.547972186e-07 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