# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2NiPt # 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 2026-08-31 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 6.427146465e+06 6.427146465e+06 0.88 5.874158386e+06 5.874158386e+06 0.90 5.370143158e+06 5.370143158e+06 0.92 4.909904363e+06 4.909904363e+06 0.94 4.488852140e+06 4.488852140e+06 0.96 4.102982119e+06 4.102982119e+06 0.98 3.748749972e+06 3.748749972e+06 1.00 3.423036163e+06 3.423036163e+06 1.02 3.123093824e+06 3.123093824e+06 1.04 2.846502060e+06 2.846502060e+06 1.06 2.591084356e+06 2.591084356e+06 1.08 2.354925423e+06 2.354925423e+06 1.10 2.136276724e+06 2.136276724e+06 1.12 1.933591034e+06 1.933591034e+06 1.14 1.745485449e+06 1.745485449e+06 1.16 1.570700017e+06 1.570700017e+06 1.18 1.408122714e+06 1.408122714e+06 1.20 1.256745102e+06 1.256745102e+06 1.22 1.115652520e+06 1.115652520e+06 1.24 9.840304261e+05 9.840304261e+05 1.26 8.611415166e+05 8.611415166e+05 1.28 7.463106374e+05 7.463106374e+05 1.30 6.389029524e+05 6.389029524e+05 1.32 5.383551535e+05 5.383551535e+05 1.34 4.451216887e+05 4.451216887e+05 1.36 3.607311006e+05 3.607311006e+05 1.38 2.866412850e+05 2.866412850e+05 1.40 2.276895189e+05 2.276895189e+05 1.42 1.810665691e+05 1.810665691e+05 1.44 1.441386422e+05 1.441386422e+05 1.46 1.148501375e+05 1.148501375e+05 1.48 9.159321289e+04 9.159321289e+04 1.50 7.310300041e+04 7.310300041e+04 1.52 5.838565358e+04 5.838565358e+04 1.54 4.666053900e+04 4.666053900e+04 1.56 3.731084571e+04 3.731084571e+04 1.58 2.984872298e+04 2.984872298e+04 1.60 2.388851108e+04 2.388851108e+04 1.62 1.912464311e+04 1.912464311e+04 1.64 1.531441865e+04 1.531441865e+04 1.66 1.226484136e+04 1.226484136e+04 1.68 9.822605856e+03 9.822605856e+03 1.70 7.866199761e+03 7.866199761e+03 1.72 6.298679861e+03 6.298679861e+03 1.74 5.042447639e+03 5.042447639e+03 1.76 4.035551568e+03 4.035551568e+03 1.78 3.228533009e+03 3.228533009e+03 1.80 2.581779744e+03 2.581779744e+03 1.82 2.063532865e+03 2.063532865e+03 1.84 1.648330931e+03 1.648330931e+03 1.86 1.315787158e+03 1.315787158e+03 1.88 1.049543573e+03 1.049543573e+03 1.90 8.364271068e+02 8.364271068e+02 1.92 6.659059198e+02 6.659059198e+02 1.94 5.295435688e+02 5.295435688e+02 1.96 4.205621623e+02 4.205621623e+02 1.98 3.335315365e+02 3.335315365e+02 2.00 2.640872182e+02 2.640872182e+02 2.02 2.087149017e+02 2.087149017e+02 2.04 1.646053889e+02 1.646053889e+02 2.06 1.295045306e+02 1.295045306e+02 2.08 1.016025890e+02 1.016025890e+02 2.10 7.944746624e+01 7.944746624e+01 2.12 6.187316356e+01 6.187316356e+01 2.14 4.794742904e+01 4.794742904e+01 2.16 3.692491916e+01 3.692491916e+01 2.18 2.820891203e+01 2.820891203e+01 2.20 2.132246129e+01 2.132246129e+01 2.22 1.588555321e+01 1.588555321e+01 2.24 1.159642498e+01 1.159642498e+01 2.26 8.214170620e+00 8.214170620e+00 2.28 5.547782415e+00 5.547782415e+00 2.30 3.445907373e+00 3.445907373e+00 2.32 1.788520229e+00 1.788520229e+00 2.34 4.806443027e-01 4.806443027e-01 2.36 -5.527066195e-01 -5.527066195e-01 2.38 -1.370585215e+00 -1.370585215e+00 2.40 -2.019373063e+00 -2.019373063e+00 2.42 -2.535408955e+00 -2.535408955e+00 2.44 -2.947083818e+00 -2.947083818e+00 2.46 -3.276521432e+00 -3.276521432e+00 2.48 -3.540893483e+00 -3.540893483e+00 2.50 -3.753499112e+00 -3.753499112e+00 2.52 -3.924620919e+00 -3.924620919e+00 2.54 -4.062192307e+00 -4.062192307e+00 2.56 -4.172318026e+00 -4.172318026e+00 2.58 -4.259690640e+00 -4.259690640e+00 2.60 -4.327928911e+00 -4.327928911e+00 2.62 -4.379832357e+00 -4.379832357e+00 2.64 -4.417578926e+00 -4.417578926e+00 2.66 -4.442878366e+00 -4.442878366e+00 2.68 -4.457090488e+00 -4.457090488e+00 2.70 -4.461315752e+00 -4.461315752e+00 2.72 -4.456460490e+00 -4.456460490e+00 2.74 -4.443287496e+00 -4.443287496e+00 2.76 -4.422468001e+00 -4.422468001e+00 2.78 -4.394601543e+00 -4.394601543e+00 2.80 -4.360236020e+00 -4.360236020e+00 2.82 -4.319881225e+00 -4.319881225e+00 2.84 -4.273989688e+00 -4.273989688e+00 2.86 -4.222987649e+00 -4.222987649e+00 2.88 -4.167314055e+00 -4.167314055e+00 2.90 -4.107395443e+00 -4.107395443e+00 2.92 -4.043645971e+00 -4.043645971e+00 2.94 -3.976467734e+00 -3.976467734e+00 2.96 -3.906183374e+00 -3.906183374e+00 2.98 -3.833091621e+00 -3.833091621e+00 3.00 -3.757522097e+00 -3.757522097e+00 3.02 -3.679812068e+00 -3.679812068e+00 3.04 -3.600288530e+00 -3.600288530e+00 3.06 -3.519263270e+00 -3.519263270e+00 3.08 -3.437032455e+00 -3.437032455e+00 3.10 -3.353876334e+00 -3.353876334e+00 3.12 -3.270059036e+00 -3.270059036e+00 3.14 -3.185828496e+00 -3.185828496e+00 3.16 -3.101416490e+00 -3.101416490e+00 3.18 -3.017038772e+00 -3.017038772e+00 3.20 -2.932895320e+00 -2.932895320e+00 3.22 -2.849170655e+00 -2.849170655e+00 3.24 -2.766034247e+00 -2.766034247e+00 3.26 -2.683640981e+00 -2.683640981e+00 3.28 -2.602131673e+00 -2.602131673e+00 3.30 -2.521633635e+00 -2.521633635e+00 3.32 -2.442258974e+00 -2.442258974e+00 3.34 -2.364083096e+00 -2.364083096e+00 3.36 -2.287189138e+00 -2.287189138e+00 3.38 -2.211657048e+00 -2.211657048e+00 3.40 -2.137556501e+00 -2.137556501e+00 3.42 -2.064947523e+00 -2.064947523e+00 3.44 -1.993881112e+00 -1.993881112e+00 3.46 -1.924382610e+00 -1.924382610e+00 3.48 -1.856420758e+00 -1.856420758e+00 3.50 -1.790017957e+00 -1.790017957e+00 3.52 -1.725196782e+00 -1.725196782e+00 3.54 -1.661973820e+00 -1.661973820e+00 3.56 -1.600360145e+00 -1.600360145e+00 3.58 -1.540361780e+00 -1.540361780e+00 3.60 -1.481980127e+00 -1.481980127e+00 3.62 -1.425212382e+00 -1.425212382e+00 3.64 -1.370051926e+00 -1.370051926e+00 3.66 -1.316488688e+00 -1.316488688e+00 3.68 -1.264509498e+00 -1.264509498e+00 3.70 -1.214098402e+00 -1.214098402e+00 3.72 -1.165236977e+00 -1.165236977e+00 3.74 -1.117904603e+00 -1.117904603e+00 3.76 -1.072078734e+00 -1.072078734e+00 3.78 -1.027735141e+00 -1.027735141e+00 3.80 -9.848481375e-01 -9.848481375e-01 3.82 -9.433907914e-01 -9.433907914e-01 3.84 -9.033351180e-01 -9.033351180e-01 3.86 -8.646522582e-01 -8.646522582e-01 3.88 -8.273126419e-01 -8.273126419e-01 3.90 -7.912861385e-01 -7.912861385e-01 3.92 -7.565421930e-01 -7.565421930e-01 3.94 -7.230499516e-01 -7.230499516e-01 3.96 -6.907783745e-01 -6.907783745e-01 3.98 -6.596963389e-01 -6.596963389e-01 4.00 -6.297727316e-01 -6.297727316e-01 4.02 -6.009765326e-01 -6.009765326e-01 4.04 -5.732768899e-01 -5.732768899e-01 4.06 -5.466431865e-01 -5.466431865e-01 4.08 -5.210450996e-01 -5.210450996e-01 4.10 -4.964526535e-01 -4.964526535e-01 4.12 -4.728362660e-01 -4.728362660e-01 4.14 -4.501667884e-01 -4.501667884e-01 4.16 -4.284155409e-01 -4.284155409e-01 4.18 -4.075543428e-01 -4.075543428e-01 4.20 -3.875555384e-01 -3.875555384e-01 4.22 -3.683779832e-01 -3.683779832e-01 4.24 -3.499811966e-01 -3.499811966e-01 4.26 -3.323403003e-01 -3.323403003e-01 4.28 -3.154309783e-01 -3.154309783e-01 4.30 -2.992294833e-01 -2.992294833e-01 4.32 -2.837126415e-01 -2.837126415e-01 4.34 -2.688578566e-01 -2.688578566e-01 4.36 -2.546431109e-01 -2.546431109e-01 4.38 -2.410469652e-01 -2.410469652e-01 4.40 -2.280485563e-01 -2.280485563e-01 4.42 -2.156275943e-01 -2.156275943e-01 4.44 -2.037643578e-01 -2.037643578e-01 4.46 -1.924396876e-01 -1.924396876e-01 4.48 -1.816349811e-01 -1.816349811e-01 4.50 -1.713321837e-01 -1.713321837e-01 4.52 -1.615137813e-01 -1.615137813e-01 4.54 -1.521627908e-01 -1.521627908e-01 4.56 -1.432627510e-01 -1.432627510e-01 4.58 -1.347977125e-01 -1.347977125e-01 4.60 -1.267522285e-01 -1.267522285e-01 4.62 -1.191113419e-01 -1.191113419e-01 4.64 -1.118605749e-01 -1.118605749e-01 4.66 -1.049859188e-01 -1.049859188e-01 4.68 -9.847382315e-02 -9.847382315e-02 4.70 -9.230767324e-02 -9.230767324e-02 4.72 -8.646622564e-02 -8.646622564e-02 4.74 -8.093719177e-02 -8.093719177e-02 4.76 -7.570911845e-02 -7.570911845e-02 4.78 -7.077131475e-02 -7.077131475e-02 4.80 -6.611338795e-02 -6.611338795e-02 4.82 -6.172524523e-02 -6.172524523e-02 4.84 -5.759709987e-02 -5.759709987e-02 4.86 -5.371653581e-02 -5.371653581e-02 4.88 -5.005642288e-02 -5.005642288e-02 4.90 -4.658578233e-02 -4.658578233e-02 4.92 -4.328865008e-02 -4.328865008e-02 4.94 -4.015884522e-02 -4.015884522e-02 4.96 -3.719039451e-02 -3.719039451e-02 4.98 -3.437752762e-02 -3.437752762e-02 5.00 -3.171466927e-02 -3.171466927e-02 5.02 -2.919643418e-02 -2.919643418e-02 5.04 -2.681762225e-02 -2.681762225e-02 5.06 -2.457321303e-02 -2.457321303e-02 5.08 -2.245836015e-02 -2.245836015e-02 5.10 -2.046838591e-02 -2.046838591e-02 5.12 -1.859877600e-02 -1.859877600e-02 5.14 -1.684499962e-02 -1.684499962e-02 5.16 -1.520260449e-02 -1.520260449e-02 5.18 -1.366773028e-02 -1.366773028e-02 5.20 -1.223662019e-02 -1.223662019e-02 5.22 -1.090561099e-02 -1.090561099e-02 5.24 -9.671137223e-03 -9.671137223e-03 5.26 -8.529734287e-03 -8.529734287e-03 5.28 -7.478040309e-03 -7.478040309e-03 5.30 -6.512797183e-03 -6.512797183e-03 5.32 -5.630850816e-03 -5.630850816e-03 5.34 -4.829150729e-03 -4.829150729e-03 5.36 -4.104749115e-03 -4.104749115e-03 5.38 -3.454799469e-03 -3.454799469e-03 5.40 -2.876554839e-03 -2.876554839e-03 5.42 -2.365927514e-03 -2.365927514e-03 5.44 -1.911921286e-03 -1.911921286e-03 5.46 -1.511104817e-03 -1.511104817e-03 5.48 -1.161575404e-03 -1.161575404e-03 5.50 -8.614976270e-04 -8.614976270e-04 5.52 -6.091015089e-04 -6.091015089e-04 5.54 -4.026805976e-04 -4.026805976e-04 5.56 -2.405900006e-04 -2.405900006e-04 5.58 -1.212443918e-04 -1.212443918e-04 5.60 -4.311600839e-05 -4.311600839e-05 5.62 -4.732651207e-06 -4.732651207e-06 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00