# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgPbTi2 # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.788067405e+02 3.788067405e+02 1.30 3.525323540e+02 3.525323540e+02 1.32 3.281584325e+02 3.281584325e+02 1.34 3.055343164e+02 3.055343164e+02 1.36 2.845219323e+02 2.845219323e+02 1.38 2.649951202e+02 2.649951202e+02 1.40 2.468391151e+02 2.468391151e+02 1.42 2.299497198e+02 2.299497198e+02 1.44 2.142321127e+02 2.142321127e+02 1.46 1.995995332e+02 1.995995332e+02 1.48 1.859721426e+02 1.859721426e+02 1.50 1.732762680e+02 1.732762680e+02 1.52 1.614439714e+02 1.614439714e+02 1.54 1.504126948e+02 1.504126948e+02 1.56 1.401248380e+02 1.401248380e+02 1.58 1.305272724e+02 1.305272724e+02 1.60 1.215708800e+02 1.215708800e+02 1.62 1.132102738e+02 1.132102738e+02 1.64 1.054036506e+02 1.054036506e+02 1.66 9.811259433e+01 9.811259433e+01 1.68 9.130171712e+01 9.130171712e+01 1.70 8.493827893e+01 8.493827893e+01 1.72 7.899187859e+01 7.899187859e+01 1.74 7.343421800e+01 7.343421800e+01 1.76 6.823904451e+01 6.823904451e+01 1.78 6.338199157e+01 6.338199157e+01 1.80 5.884386439e+01 5.884386439e+01 1.82 5.460613506e+01 5.460613506e+01 1.84 5.064846037e+01 5.064846037e+01 1.86 4.695215656e+01 4.695215656e+01 1.88 4.349997359e+01 4.349997359e+01 1.90 4.027589941e+01 4.027589941e+01 1.92 3.726499547e+01 3.726499547e+01 1.94 3.445328038e+01 3.445328038e+01 1.96 3.182764844e+01 3.182764844e+01 1.98 2.937582207e+01 2.937582207e+01 2.00 2.708630891e+01 2.708630891e+01 2.02 2.494835271e+01 2.494835271e+01 2.04 2.295188339e+01 2.295188339e+01 2.06 2.108748753e+01 2.108748753e+01 2.08 1.934640708e+01 1.934640708e+01 2.10 1.772055360e+01 1.772055360e+01 2.12 1.620250325e+01 1.620250325e+01 2.14 1.478545064e+01 1.478545064e+01 2.16 1.346313009e+01 1.346313009e+01 2.18 1.222972270e+01 1.222972270e+01 2.20 1.107976767e+01 1.107976767e+01 2.22 1.000809240e+01 1.000809240e+01 2.24 9.009767414e+00 9.009767414e+00 2.26 8.080089750e+00 8.080089750e+00 2.28 7.214585662e+00 7.214585662e+00 2.30 6.409030982e+00 6.409030982e+00 2.32 5.659455388e+00 5.659455388e+00 2.34 4.962149268e+00 4.962149268e+00 2.36 4.313651102e+00 4.313651102e+00 2.38 3.710736240e+00 3.710736240e+00 2.40 3.150403306e+00 3.150403306e+00 2.42 2.629859797e+00 2.629859797e+00 2.44 2.146507126e+00 2.146507126e+00 2.46 1.697924947e+00 1.697924947e+00 2.48 1.281855947e+00 1.281855947e+00 2.50 8.961923800e-01 8.961923800e-01 2.52 5.389657934e-01 5.389657934e-01 2.54 2.083403452e-01 2.083403452e-01 2.56 -9.739160366e-02 -9.739160366e-02 2.58 -3.798142191e-01 -3.798142191e-01 2.60 -6.403955084e-01 -6.403955084e-01 2.62 -8.804997171e-01 -8.804997171e-01 2.64 -1.101492219e+00 -1.101492219e+00 2.66 -1.304522399e+00 -1.304522399e+00 2.68 -1.490613820e+00 -1.490613820e+00 2.70 -1.660753240e+00 -1.660753240e+00 2.72 -1.815891780e+00 -1.815891780e+00 2.74 -1.956944513e+00 -1.956944513e+00 2.76 -2.084789026e+00 -2.084789026e+00 2.78 -2.200263556e+00 -2.200263556e+00 2.80 -2.304136316e+00 -2.304136316e+00 2.82 -2.396982759e+00 -2.396982759e+00 2.84 -2.479327165e+00 -2.479327165e+00 2.86 -2.551701191e+00 -2.551701191e+00 2.88 -2.614640377e+00 -2.614640377e+00 2.90 -2.668681324e+00 -2.668681324e+00 2.92 -2.714358842e+00 -2.714358842e+00 2.94 -2.752202966e+00 -2.752202966e+00 2.96 -2.782736326e+00 -2.782736326e+00 2.98 -2.806472361e+00 -2.806472361e+00 3.00 -2.823914259e+00 -2.823914259e+00 3.02 -2.835553609e+00 -2.835553609e+00 3.04 -2.841866892e+00 -2.841866892e+00 3.06 -2.843313020e+00 -2.843313020e+00 3.08 -2.840323016e+00 -2.840323016e+00 3.10 -2.833297341e+00 -2.833297341e+00 3.12 -2.822601352e+00 -2.822601352e+00 3.14 -2.808569356e+00 -2.808569356e+00 3.16 -2.791502583e+00 -2.791502583e+00 3.18 -2.771677929e+00 -2.771677929e+00 3.20 -2.749351394e+00 -2.749351394e+00 3.22 -2.724761192e+00 -2.724761192e+00 3.24 -2.698129279e+00 -2.698129279e+00 3.26 -2.669661681e+00 -2.669661681e+00 3.28 -2.639548267e+00 -2.639548267e+00 3.30 -2.607962526e+00 -2.607962526e+00 3.32 -2.575065030e+00 -2.575065030e+00 3.34 -2.541026387e+00 -2.541026387e+00 3.36 -2.505956096e+00 -2.505956096e+00 3.38 -2.469943748e+00 -2.469943748e+00 3.40 -2.433074382e+00 -2.433074382e+00 3.42 -2.395431293e+00 -2.395431293e+00 3.44 -2.357097602e+00 -2.357097602e+00 3.46 -2.318159969e+00 -2.318159969e+00 3.48 -2.278712037e+00 -2.278712037e+00 3.50 -2.238868979e+00 -2.238868979e+00 3.52 -2.198728864e+00 -2.198728864e+00 3.54 -2.158386311e+00 -2.158386311e+00 3.56 -2.117943843e+00 -2.117943843e+00 3.58 -2.077506635e+00 -2.077506635e+00 3.60 -2.037176241e+00 -2.037176241e+00 3.62 -1.997044780e+00 -1.997044780e+00 3.64 -1.957190732e+00 -1.957190732e+00 3.66 -1.917676941e+00 -1.917676941e+00 3.68 -1.878545707e+00 -1.878545707e+00 3.70 -1.839809776e+00 -1.839809776e+00 3.72 -1.801472546e+00 -1.801472546e+00 3.74 -1.763535082e+00 -1.763535082e+00 3.76 -1.725998334e+00 -1.725998334e+00 3.78 -1.688864691e+00 -1.688864691e+00 3.80 -1.652138783e+00 -1.652138783e+00 3.82 -1.615827656e+00 -1.615827656e+00 3.84 -1.579940512e+00 -1.579940512e+00 3.86 -1.544488205e+00 -1.544488205e+00 3.88 -1.509482640e+00 -1.509482640e+00 3.90 -1.474936180e+00 -1.474936180e+00 3.92 -1.440860743e+00 -1.440860743e+00 3.94 -1.407268872e+00 -1.407268872e+00 3.96 -1.374170995e+00 -1.374170995e+00 3.98 -1.341576855e+00 -1.341576855e+00 4.00 -1.309494911e+00 -1.309494911e+00 4.02 -1.277932265e+00 -1.277932265e+00 4.04 -1.246894646e+00 -1.246894646e+00 4.06 -1.216386431e+00 -1.216386431e+00 4.08 -1.186410693e+00 -1.186410693e+00 4.10 -1.156967695e+00 -1.156967695e+00 4.12 -1.128061469e+00 -1.128061469e+00 4.14 -1.099689604e+00 -1.099689604e+00 4.16 -1.071850523e+00 -1.071850523e+00 4.18 -1.044541643e+00 -1.044541643e+00 4.20 -1.017759445e+00 -1.017759445e+00 4.22 -9.914995696e-01 -9.914995696e-01 4.24 -9.657569238e-01 -9.657569238e-01 4.26 -9.405258043e-01 -9.405258043e-01 4.28 -9.158000348e-01 -9.158000348e-01 4.30 -8.915731126e-01 -8.915731126e-01 4.32 -8.678383565e-01 -8.678383565e-01 4.34 -8.445890479e-01 -8.445890479e-01 4.36 -8.218185549e-01 -8.218185549e-01 4.38 -7.995204299e-01 -7.995204299e-01 4.40 -7.776884742e-01 -7.776884742e-01 4.42 -7.563167652e-01 -7.563167652e-01 4.44 -7.353996435e-01 -7.353996435e-01 4.46 -7.149316640e-01 -7.149316640e-01 4.48 -6.949075167e-01 -6.949075167e-01 4.50 -6.753219243e-01 -6.753219243e-01 4.52 -6.561695265e-01 -6.561695265e-01 4.54 -6.374447619e-01 -6.374447619e-01 4.56 -6.191417547e-01 -6.191417547e-01 4.58 -6.012542162e-01 -6.012542162e-01 4.60 -5.837753651e-01 -5.837753651e-01 4.62 -5.666978735e-01 -5.666978735e-01 4.64 -5.500138389e-01 -5.500138389e-01 4.66 -5.337147864e-01 -5.337147864e-01 4.68 -5.177917005e-01 -5.177917005e-01 4.70 -5.022350878e-01 -5.022350878e-01 4.72 -4.870350712e-01 -4.870350712e-01 4.74 -4.721815150e-01 -4.721815150e-01 4.76 -4.576641836e-01 -4.576641836e-01 4.78 -4.434729320e-01 -4.434729320e-01 4.80 -4.295969654e-01 -4.295969654e-01 4.82 -4.160290913e-01 -4.160290913e-01 4.84 -4.027597327e-01 -4.027597327e-01 4.86 -3.897815756e-01 -3.897815756e-01 4.88 -3.770886993e-01 -3.770886993e-01 4.90 -3.646768219e-01 -3.646768219e-01 4.92 -3.525434875e-01 -3.525434875e-01 4.94 -3.406881610e-01 -3.406881610e-01 4.96 -3.291122003e-01 -3.291122003e-01 4.98 -3.178186822e-01 -3.178186822e-01 5.00 -3.068120709e-01 -3.068120709e-01 5.02 -2.960977414e-01 -2.960977414e-01 5.04 -2.856813882e-01 -2.856813882e-01 5.06 -2.755683738e-01 -2.755683738e-01 5.08 -2.657630845e-01 -2.657630845e-01 5.10 -2.562683618e-01 -2.562683618e-01 5.12 -2.470850715e-01 -2.470850715e-01 5.14 -2.382118488e-01 -2.382118488e-01 5.16 -2.296450328e-01 -2.296450328e-01 5.18 -2.213787751e-01 -2.213787751e-01 5.20 -2.134052873e-01 -2.134052873e-01 5.22 -2.057151784e-01 -2.057151784e-01 5.24 -1.982978304e-01 -1.982978304e-01 5.26 -1.911417663e-01 -1.911417663e-01 5.28 -1.842349762e-01 -1.842349762e-01 5.30 -1.775651828e-01 -1.775651828e-01 5.32 -1.711200362e-01 -1.711200362e-01 5.34 -1.648872457e-01 -1.648872457e-01 5.36 -1.588546569e-01 -1.588546569e-01 5.38 -1.530102912e-01 -1.530102912e-01 5.40 -1.473423630e-01 -1.473423630e-01 5.42 -1.418392884e-01 -1.418392884e-01 5.44 -1.364896997e-01 -1.364896997e-01 5.46 -1.312824720e-01 -1.312824720e-01 5.48 -1.262067717e-01 -1.262067717e-01 5.50 -1.212521288e-01 -1.212521288e-01 5.52 -1.164085372e-01 -1.164085372e-01 5.54 -1.116665835e-01 -1.116665835e-01 5.56 -1.070176030e-01 -1.070176030e-01 5.58 -1.024538602e-01 -1.024538602e-01 5.60 -9.796874622e-02 -9.796874622e-02 5.62 -9.355698436e-02 -9.355698436e-02 5.64 -8.921482980e-02 -8.921482980e-02 5.66 -8.494024655e-02 -8.494024655e-02 5.68 -8.073304072e-02 -8.073304072e-02 5.70 -7.659493106e-02 -7.659493106e-02 5.72 -7.252953858e-02 -7.252953858e-02 5.74 -6.854227811e-02 -6.854227811e-02 5.76 -6.464014446e-02 -6.464014446e-02 5.78 -6.083139788e-02 -6.083139788e-02 5.80 -5.712515315e-02 -5.712515315e-02 5.82 -5.353089943e-02 -5.353089943e-02 5.84 -5.005799886e-02 -5.005799886e-02 5.86 -4.671518678e-02 -4.671518678e-02 5.88 -4.351011968e-02 -4.351011968e-02 5.90 -4.044900676e-02 -4.044900676e-02 5.92 -3.753610295e-02 -3.753610295e-02 5.94 -3.477310686e-02 -3.477310686e-02 5.96 -3.216137569e-02 -3.216137569e-02 5.98 -2.970050510e-02 -2.970050510e-02 6.00 -2.738832572e-02 -2.738832572e-02