# 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 = Ag2AlPb # 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 2.404733019e+02 2.404733019e+02 1.30 2.239258092e+02 2.239258092e+02 1.32 2.085594083e+02 2.085594083e+02 1.34 1.942814949e+02 1.942814949e+02 1.36 1.810062964e+02 1.810062964e+02 1.38 1.686545639e+02 1.686545639e+02 1.40 1.571539180e+02 1.571539180e+02 1.42 1.464391609e+02 1.464391609e+02 1.44 1.364519353e+02 1.364519353e+02 1.46 1.271396459e+02 1.271396459e+02 1.48 1.184541725e+02 1.184541725e+02 1.50 1.103509796e+02 1.103509796e+02 1.52 1.027887207e+02 1.027887207e+02 1.54 9.572900661e+01 9.572900661e+01 1.56 8.913613046e+01 8.913613046e+01 1.58 8.297683134e+01 8.297683134e+01 1.60 7.722015891e+01 7.722015891e+01 1.62 7.183742437e+01 7.183742437e+01 1.64 6.680239126e+01 6.680239126e+01 1.66 6.209792597e+01 6.209792597e+01 1.68 5.770532167e+01 5.770532167e+01 1.70 5.360432722e+01 5.360432722e+01 1.72 4.977479765e+01 4.977479765e+01 1.74 4.619791201e+01 4.619791201e+01 1.76 4.285603191e+01 4.285603191e+01 1.78 3.973263350e+01 3.973263350e+01 1.80 3.681234736e+01 3.681234736e+01 1.82 3.408105643e+01 3.408105643e+01 1.84 3.152595158e+01 3.152595158e+01 1.86 2.913548825e+01 2.913548825e+01 1.88 2.689926552e+01 2.689926552e+01 1.90 2.480785629e+01 2.480785629e+01 1.92 2.285262125e+01 2.285262125e+01 1.94 2.102552243e+01 2.102552243e+01 1.96 1.931894303e+01 1.931894303e+01 1.98 1.772555757e+01 1.772555757e+01 2.00 1.623827858e+01 1.623827858e+01 2.02 1.485028059e+01 1.485028059e+01 2.04 1.355506123e+01 1.355506123e+01 2.06 1.234649475e+01 1.234649475e+01 2.08 1.121885324e+01 1.121885324e+01 2.10 1.016679772e+01 1.016679772e+01 2.12 9.185353467e+00 9.185353467e+00 2.14 8.269879440e+00 8.269879440e+00 2.16 7.416043589e+00 7.416043589e+00 2.18 6.619806892e+00 6.619806892e+00 2.20 5.877413763e+00 5.877413763e+00 2.22 5.185387678e+00 5.185387678e+00 2.24 4.540523410e+00 4.540523410e+00 2.26 3.939873119e+00 3.939873119e+00 2.28 3.380724034e+00 3.380724034e+00 2.30 2.860575495e+00 2.860575495e+00 2.32 2.377108733e+00 2.377108733e+00 2.34 1.928166753e+00 1.928166753e+00 2.36 1.511729935e+00 1.511729935e+00 2.38 1.125899312e+00 1.125899312e+00 2.40 7.688828865e-01 7.688828865e-01 2.42 4.389853060e-01 4.389853060e-01 2.44 1.345993510e-01 1.345993510e-01 2.46 -1.458018484e-01 -1.458018484e-01 2.48 -4.036737001e-01 -4.036737001e-01 2.50 -6.404108052e-01 -6.404108052e-01 2.52 -8.573593538e-01 -8.573593538e-01 2.54 -1.055830171e+00 -1.055830171e+00 2.56 -1.237110157e+00 -1.237110157e+00 2.58 -1.402468604e+00 -1.402468604e+00 2.60 -1.553154192e+00 -1.553154192e+00 2.62 -1.690379405e+00 -1.690379405e+00 2.64 -1.815296607e+00 -1.815296607e+00 2.66 -1.928964528e+00 -1.928964528e+00 2.68 -2.032539883e+00 -2.032539883e+00 2.70 -2.127386642e+00 -2.127386642e+00 2.72 -2.213944940e+00 -2.213944940e+00 2.74 -2.292544213e+00 -2.292544213e+00 2.76 -2.363479827e+00 -2.363479827e+00 2.78 -2.427025720e+00 -2.427025720e+00 2.80 -2.483445371e+00 -2.483445371e+00 2.82 -2.532997078e+00 -2.532997078e+00 2.84 -2.575938226e+00 -2.575938226e+00 2.86 -2.612534656e+00 -2.612534656e+00 2.88 -2.643192088e+00 -2.643192088e+00 2.90 -2.668172010e+00 -2.668172010e+00 2.92 -2.687611191e+00 -2.687611191e+00 2.94 -2.701675864e+00 -2.701675864e+00 2.96 -2.710563145e+00 -2.710563145e+00 2.98 -2.714504684e+00 -2.714504684e+00 3.00 -2.713770903e+00 -2.713770903e+00 3.02 -2.708673682e+00 -2.708673682e+00 3.04 -2.699564617e+00 -2.699564617e+00 3.06 -2.686831742e+00 -2.686831742e+00 3.08 -2.670890307e+00 -2.670890307e+00 3.10 -2.652161091e+00 -2.652161091e+00 3.12 -2.631045774e+00 -2.631045774e+00 3.14 -2.607912774e+00 -2.607912774e+00 3.16 -2.583094386e+00 -2.583094386e+00 3.18 -2.556878341e+00 -2.556878341e+00 3.20 -2.529458790e+00 -2.529458790e+00 3.22 -2.500987840e+00 -2.500987840e+00 3.24 -2.471584293e+00 -2.471584293e+00 3.26 -2.441340726e+00 -2.441340726e+00 3.28 -2.410330272e+00 -2.410330272e+00 3.30 -2.378612652e+00 -2.378612652e+00 3.32 -2.346239292e+00 -2.346239292e+00 3.34 -2.313257134e+00 -2.313257134e+00 3.36 -2.279707569e+00 -2.279707569e+00 3.38 -2.245629721e+00 -2.245629721e+00 3.40 -2.211066796e+00 -2.211066796e+00 3.42 -2.176067109e+00 -2.176067109e+00 3.44 -2.140682841e+00 -2.140682841e+00 3.46 -2.104969915e+00 -2.104969915e+00 3.48 -2.068986717e+00 -2.068986717e+00 3.50 -2.032792821e+00 -2.032792821e+00 3.52 -1.996447687e+00 -1.996447687e+00 3.54 -1.960009456e+00 -1.960009456e+00 3.56 -1.923533901e+00 -1.923533901e+00 3.58 -1.887073621e+00 -1.887073621e+00 3.60 -1.850677480e+00 -1.850677480e+00 3.62 -1.814390294e+00 -1.814390294e+00 3.64 -1.778252732e+00 -1.778252732e+00 3.66 -1.742301371e+00 -1.742301371e+00 3.68 -1.706568835e+00 -1.706568835e+00 3.70 -1.671083949e+00 -1.671083949e+00 3.72 -1.635871844e+00 -1.635871844e+00 3.74 -1.600953982e+00 -1.600953982e+00 3.76 -1.566348120e+00 -1.566348120e+00 3.78 -1.532068253e+00 -1.532068253e+00 3.80 -1.498124618e+00 -1.498124618e+00 3.82 -1.464523815e+00 -1.464523815e+00 3.84 -1.431269109e+00 -1.431269109e+00 3.86 -1.398360886e+00 -1.398360886e+00 3.88 -1.365797244e+00 -1.365797244e+00 3.90 -1.333574615e+00 -1.333574615e+00 3.92 -1.301687986e+00 -1.301687986e+00 3.94 -1.270132911e+00 -1.270132911e+00 3.96 -1.238903387e+00 -1.238903387e+00 3.98 -1.207993734e+00 -1.207993734e+00 4.00 -1.177398173e+00 -1.177398173e+00 4.02 -1.147110798e+00 -1.147110798e+00 4.04 -1.117125567e+00 -1.117125567e+00 4.06 -1.087436369e+00 -1.087436369e+00 4.08 -1.058037257e+00 -1.058037257e+00 4.10 -1.028921897e+00 -1.028921897e+00 4.12 -1.000088425e+00 -1.000088425e+00 4.14 -9.715338126e-01 -9.715338126e-01 4.16 -9.432596058e-01 -9.432596058e-01 4.18 -9.152719639e-01 -9.152719639e-01 4.20 -8.875829153e-01 -8.875829153e-01 4.22 -8.602114511e-01 -8.602114511e-01 4.24 -8.331842624e-01 -8.331842624e-01 4.26 -8.065359315e-01 -8.065359315e-01 4.28 -7.803084126e-01 -7.803084126e-01 4.30 -7.545497114e-01 -7.545497114e-01 4.32 -7.293117741e-01 -7.293117741e-01 4.34 -7.046477231e-01 -7.046477231e-01 4.36 -6.806086889e-01 -6.806086889e-01 4.38 -6.572405769e-01 -6.572405769e-01 4.40 -6.345811262e-01 -6.345811262e-01 4.42 -6.126575832e-01 -6.126575832e-01 4.44 -5.914852103e-01 -5.914852103e-01 4.46 -5.710667220e-01 -5.710667220e-01 4.48 -5.513926055e-01 -5.513926055e-01 4.50 -5.324421780e-01 -5.324421780e-01 4.52 -5.141851659e-01 -5.141851659e-01 4.54 -4.965835776e-01 -4.965835776e-01 4.56 -4.795936583e-01 -4.795936583e-01 4.58 -4.631677643e-01 -4.631677643e-01 4.60 -4.472560521e-01 -4.472560521e-01 4.62 -4.318079282e-01 -4.318079282e-01 4.64 -4.167732570e-01 -4.167732570e-01 4.66 -4.021033493e-01 -4.021033493e-01 4.68 -3.877517804e-01 -3.877517804e-01 4.70 -3.736750891e-01 -3.736750891e-01 4.72 -3.598334095e-01 -3.598334095e-01 4.74 -3.461910807e-01 -3.461910807e-01 4.76 -3.327172627e-01 -3.327172627e-01 4.78 -3.193865732e-01 -3.193865732e-01 4.80 -3.061789695e-01 -3.061789695e-01 4.82 -2.930835852e-01 -2.930835852e-01 4.84 -2.800943080e-01 -2.800943080e-01 4.86 -2.672137165e-01 -2.672137165e-01 4.88 -2.544524171e-01 -2.544524171e-01 4.90 -2.418290095e-01 -2.418290095e-01 4.92 -2.293696983e-01 -2.293696983e-01 4.94 -2.171074952e-01 -2.171074952e-01 4.96 -2.050809985e-01 -2.050809985e-01 4.98 -1.933327780e-01 -1.933327780e-01 5.00 -1.819074446e-01 -1.819074446e-01 5.02 -1.708495275e-01 -1.708495275e-01 5.04 -1.602013176e-01 -1.602013176e-01 5.06 -1.500008540e-01 -1.500008540e-01 5.08 -1.402802073e-01 -1.402802073e-01 5.10 -1.310641917e-01 -1.310641917e-01 5.12 -1.223695790e-01 -1.223695790e-01 5.14 -1.142048411e-01 -1.142048411e-01 5.16 -1.065703887e-01 -1.065703887e-01 5.18 -9.945922266e-02 -9.945922266e-02 5.20 -9.285769426e-02 -9.285769426e-02 5.22 -8.674659814e-02 -8.674659814e-02 5.24 -8.110344652e-02 -8.110344652e-02 5.26 -7.590271926e-02 -7.590271926e-02 5.28 -7.111693534e-02 -7.111693534e-02 5.30 -6.671764080e-02 -6.671764080e-02 5.32 -6.267621455e-02 -6.267621455e-02 5.34 -5.896449307e-02 -5.896449307e-02 5.36 -5.555513277e-02 -5.555513277e-02 5.38 -5.242201816e-02 -5.242201816e-02 5.40 -4.954067984e-02 -4.954067984e-02 5.42 -4.688814288e-02 -4.688814288e-02 5.44 -4.444297649e-02 -4.444297649e-02 5.46 -4.218530049e-02 -4.218530049e-02 5.48 -4.009675807e-02 -4.009675807e-02 5.50 -3.816046634e-02 -3.816046634e-02 5.52 -3.636095257e-02 -3.636095257e-02 5.54 -3.468408157e-02 -3.468408157e-02 5.56 -3.311697803e-02 -3.311697803e-02 5.58 -3.164794607e-02 -3.164794607e-02 5.60 -3.026638817e-02 -3.026638817e-02 5.62 -2.896272480e-02 -2.896272480e-02 5.64 -2.772831633e-02 -2.772831633e-02 5.66 -2.655538766e-02 -2.655538766e-02 5.68 -2.543695771e-02 -2.543695771e-02 5.70 -2.436677399e-02 -2.436677399e-02 5.72 -2.333925321e-02 -2.333925321e-02 5.74 -2.234942815e-02 -2.234942815e-02 5.76 -2.139290150e-02 -2.139290150e-02 5.78 -2.046580646e-02 -2.046580646e-02 5.80 -1.956477400e-02 -1.956477400e-02 5.82 -1.868690632e-02 -1.868690632e-02 5.84 -1.782975591e-02 -1.782975591e-02 5.86 -1.699130899e-02 -1.699130899e-02 5.88 -1.616997238e-02 -1.616997238e-02 5.90 -1.536456202e-02 -1.536456202e-02 5.92 -1.457429179e-02 -1.457429179e-02 5.94 -1.379875339e-02 -1.379875339e-02 5.96 -1.303781459e-02 -1.303781459e-02 5.98 -1.229178113e-02 -1.229178113e-02 6.00 -1.156131487e-02 -1.156131487e-02