# 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 = AuCu2Zr # 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 2.221471439e+02 2.221471439e+02 1.30 2.055815409e+02 2.055815409e+02 1.32 1.902486504e+02 1.902486504e+02 1.34 1.760553652e+02 1.760553652e+02 1.36 1.629153294e+02 1.629153294e+02 1.38 1.507468892e+02 1.507468892e+02 1.40 1.394727045e+02 1.394727045e+02 1.42 1.290203145e+02 1.290203145e+02 1.44 1.193225750e+02 1.193225750e+02 1.46 1.103181580e+02 1.103181580e+02 1.48 1.019521227e+02 1.019521227e+02 1.50 9.417587497e+01 9.417587497e+01 1.52 8.694602889e+01 8.694602889e+01 1.54 8.022281861e+01 8.022281861e+01 1.56 7.396878517e+01 7.396878517e+01 1.58 6.814849148e+01 6.814849148e+01 1.60 6.272900967e+01 6.272900967e+01 1.62 5.768057238e+01 5.768057238e+01 1.64 5.297672661e+01 5.297672661e+01 1.66 4.859393871e+01 4.859393871e+01 1.68 4.451092794e+01 4.451092794e+01 1.70 4.070804117e+01 4.070804117e+01 1.72 3.716691694e+01 3.716691694e+01 1.74 3.387050756e+01 3.387050756e+01 1.76 3.080340187e+01 3.080340187e+01 1.78 2.795630220e+01 2.795630220e+01 1.80 2.532229643e+01 2.532229643e+01 1.82 2.288661209e+01 2.288661209e+01 1.84 2.063479668e+01 2.063479668e+01 1.86 1.855298402e+01 1.855298402e+01 1.88 1.662797221e+01 1.662797221e+01 1.90 1.484741893e+01 1.484741893e+01 1.92 1.319997734e+01 1.319997734e+01 1.94 1.167538647e+01 1.167538647e+01 1.96 1.026440153e+01 1.026440153e+01 1.98 8.958715619e+00 8.958715619e+00 2.00 7.750871299e+00 7.750871299e+00 2.02 6.634152782e+00 6.634152782e+00 2.04 5.602459288e+00 5.602459288e+00 2.06 4.650165352e+00 4.650165352e+00 2.08 3.771999693e+00 3.771999693e+00 2.10 2.962942262e+00 2.962942262e+00 2.12 2.218206076e+00 2.218206076e+00 2.14 1.533242731e+00 1.533242731e+00 2.16 9.037804046e-01 9.037804046e-01 2.18 3.258381397e-01 3.258381397e-01 2.20 -2.042812447e-01 -2.042812447e-01 2.22 -6.900275029e-01 -6.900275029e-01 2.24 -1.134625231e+00 -1.134625231e+00 2.26 -1.541077990e+00 -1.541077990e+00 2.28 -1.912155798e+00 -1.912155798e+00 2.30 -2.250396099e+00 -2.250396099e+00 2.32 -2.558128396e+00 -2.558128396e+00 2.34 -2.837480390e+00 -2.837480390e+00 2.36 -3.090423227e+00 -3.090423227e+00 2.38 -3.318786166e+00 -3.318786166e+00 2.40 -3.524268307e+00 -3.524268307e+00 2.42 -3.708454060e+00 -3.708454060e+00 2.44 -3.872830205e+00 -3.872830205e+00 2.46 -4.018873488e+00 -4.018873488e+00 2.48 -4.147881674e+00 -4.147881674e+00 2.50 -4.261083761e+00 -4.261083761e+00 2.52 -4.359686285e+00 -4.359686285e+00 2.54 -4.444855542e+00 -4.444855542e+00 2.56 -4.517696987e+00 -4.517696987e+00 2.58 -4.579239806e+00 -4.579239806e+00 2.60 -4.630404310e+00 -4.630404310e+00 2.62 -4.671891764e+00 -4.671891764e+00 2.64 -4.704337737e+00 -4.704337737e+00 2.66 -4.728361580e+00 -4.728361580e+00 2.68 -4.744579739e+00 -4.744579739e+00 2.70 -4.753602685e+00 -4.753602685e+00 2.72 -4.756030702e+00 -4.756030702e+00 2.74 -4.752444567e+00 -4.752444567e+00 2.76 -4.743392321e+00 -4.743392321e+00 2.78 -4.729373572e+00 -4.729373572e+00 2.80 -4.710860671e+00 -4.710860671e+00 2.82 -4.688287803e+00 -4.688287803e+00 2.84 -4.661928305e+00 -4.661928305e+00 2.86 -4.632017586e+00 -4.632017586e+00 2.88 -4.598885089e+00 -4.598885089e+00 2.90 -4.563016966e+00 -4.563016966e+00 2.92 -4.524345938e+00 -4.524345938e+00 2.94 -4.482825575e+00 -4.482825575e+00 2.96 -4.438476050e+00 -4.438476050e+00 2.98 -4.391371208e+00 -4.391371208e+00 3.00 -4.341624791e+00 -4.341624791e+00 3.02 -4.289385615e+00 -4.289385615e+00 3.04 -4.234826570e+00 -4.234826570e+00 3.06 -4.178142287e+00 -4.178142287e+00 3.08 -4.119546654e+00 -4.119546654e+00 3.10 -4.059272498e+00 -4.059272498e+00 3.12 -3.997535059e+00 -3.997535059e+00 3.14 -3.934534221e+00 -3.934534221e+00 3.16 -3.870438277e+00 -3.870438277e+00 3.18 -3.805393132e+00 -3.805393132e+00 3.20 -3.739521071e+00 -3.739521071e+00 3.22 -3.672924138e+00 -3.672924138e+00 3.24 -3.605689299e+00 -3.605689299e+00 3.26 -3.537894811e+00 -3.537894811e+00 3.28 -3.469616730e+00 -3.469616730e+00 3.30 -3.400934225e+00 -3.400934225e+00 3.32 -3.331932525e+00 -3.331932525e+00 3.34 -3.262703103e+00 -3.262703103e+00 3.36 -3.193341595e+00 -3.193341595e+00 3.38 -3.123944683e+00 -3.123944683e+00 3.40 -3.054606095e+00 -3.054606095e+00 3.42 -2.985419403e+00 -2.985419403e+00 3.44 -2.916469916e+00 -2.916469916e+00 3.46 -2.847839992e+00 -2.847839992e+00 3.48 -2.779607828e+00 -2.779607828e+00 3.50 -2.711847415e+00 -2.711847415e+00 3.52 -2.644628061e+00 -2.644628061e+00 3.54 -2.578013571e+00 -2.578013571e+00 3.56 -2.512061298e+00 -2.512061298e+00 3.58 -2.446821317e+00 -2.446821317e+00 3.60 -2.382335937e+00 -2.382335937e+00 3.62 -2.318639715e+00 -2.318639715e+00 3.64 -2.255760035e+00 -2.255760035e+00 3.66 -2.193718316e+00 -2.193718316e+00 3.68 -2.132531801e+00 -2.132531801e+00 3.70 -2.072215891e+00 -2.072215891e+00 3.72 -2.012786857e+00 -2.012786857e+00 3.74 -1.954264765e+00 -1.954264765e+00 3.76 -1.896676264e+00 -1.896676264e+00 3.78 -1.840056897e+00 -1.840056897e+00 3.80 -1.784452447e+00 -1.784452447e+00 3.82 -1.729918911e+00 -1.729918911e+00 3.84 -1.676520773e+00 -1.676520773e+00 3.86 -1.624327494e+00 -1.624327494e+00 3.88 -1.573408480e+00 -1.573408480e+00 3.90 -1.523827129e+00 -1.523827129e+00 3.92 -1.475633444e+00 -1.475633444e+00 3.94 -1.428864804e+00 -1.428864804e+00 3.96 -1.383533332e+00 -1.383533332e+00 3.98 -1.339631196e+00 -1.339631196e+00 4.00 -1.297129766e+00 -1.297129766e+00 4.02 -1.255982268e+00 -1.255982268e+00 4.04 -1.216127567e+00 -1.216127567e+00 4.06 -1.177494421e+00 -1.177494421e+00 4.08 -1.140005662e+00 -1.140005662e+00 4.10 -1.103578129e+00 -1.103578129e+00 4.12 -1.068141704e+00 -1.068141704e+00 4.14 -1.033616668e+00 -1.033616668e+00 4.16 -9.999333084e-01 -9.999333084e-01 4.18 -9.670286705e-01 -9.670286705e-01 4.20 -9.348477012e-01 -9.348477012e-01 4.22 -9.033441500e-01 -9.033441500e-01 4.24 -8.724812957e-01 -8.724812957e-01 4.26 -8.422325100e-01 -8.422325100e-01 4.28 -8.125816390e-01 -8.125816390e-01 4.30 -7.835231556e-01 -7.835231556e-01 4.32 -7.550620169e-01 -7.550620169e-01 4.34 -7.272131584e-01 -7.272131584e-01 4.36 -7.000005590e-01 -7.000005590e-01 4.38 -6.734558335e-01 -6.734558335e-01 4.40 -6.476163425e-01 -6.476163425e-01 4.42 -6.225228602e-01 -6.225228602e-01 4.44 -5.982169015e-01 -5.982169015e-01 4.46 -5.747378749e-01 -5.747378749e-01 4.48 -5.521202788e-01 -5.521202788e-01 4.50 -5.303911862e-01 -5.303911862e-01 4.52 -5.095682499e-01 -5.095682499e-01 4.54 -4.896584063e-01 -4.896584063e-01 4.56 -4.706573709e-01 -4.706573709e-01 4.58 -4.525499210e-01 -4.525499210e-01 4.60 -4.353108673e-01 -4.353108673e-01 4.62 -4.189065499e-01 -4.189065499e-01 4.64 -4.032966619e-01 -4.032966619e-01 4.66 -3.884362019e-01 -3.884362019e-01 4.68 -3.742773891e-01 -3.742773891e-01 4.70 -3.607714139e-01 -3.607714139e-01 4.72 -3.478699368e-01 -3.478699368e-01 4.74 -3.355260700e-01 -3.355260700e-01 4.76 -3.236959568e-01 -3.236959568e-01 4.78 -3.123391583e-01 -3.123391583e-01 4.80 -3.014157517e-01 -3.014157517e-01 4.82 -2.908999004e-01 -2.908999004e-01 4.84 -2.807591992e-01 -2.807591992e-01 4.86 -2.709691994e-01 -2.709691994e-01 4.88 -2.615094315e-01 -2.615094315e-01 4.90 -2.523631532e-01 -2.523631532e-01 4.92 -2.435169990e-01 -2.435169990e-01 4.94 -2.349605452e-01 -2.349605452e-01 4.96 -2.266858028e-01 -2.266858028e-01 4.98 -2.186866587e-01 -2.186866587e-01 5.00 -2.109582901e-01 -2.109582901e-01 5.02 -2.034965828e-01 -2.034965828e-01 5.04 -1.962975859e-01 -1.962975859e-01 5.06 -1.893570354e-01 -1.893570354e-01 5.08 -1.826699733e-01 -1.826699733e-01 5.10 -1.762304808e-01 -1.762304808e-01 5.12 -1.700315329e-01 -1.700315329e-01 5.14 -1.640649731e-01 -1.640649731e-01 5.16 -1.583215931e-01 -1.583215931e-01 5.18 -1.527913014e-01 -1.527913014e-01 5.20 -1.474633554e-01 -1.474633554e-01 5.22 -1.423266358e-01 -1.423266358e-01 5.24 -1.373699400e-01 -1.373699400e-01 5.26 -1.325822773e-01 -1.325822773e-01 5.28 -1.279531509e-01 -1.279531509e-01 5.30 -1.234728148e-01 -1.234728148e-01 5.32 -1.191324954e-01 -1.191324954e-01 5.34 -1.149245715e-01 -1.149245715e-01 5.36 -1.108427033e-01 -1.108427033e-01 5.38 -1.068819043e-01 -1.068819043e-01 5.40 -1.030385482e-01 -1.030385482e-01 5.42 -9.931030826e-02 -9.931030826e-02 5.44 -9.569602620e-02 -9.569602620e-02 5.46 -9.219551525e-02 -9.219551525e-02 5.48 -8.880930691e-02 -8.880930691e-02 5.50 -8.553835818e-02 -8.553835818e-02 5.52 -8.238374111e-02 -8.238374111e-02 5.54 -7.934633902e-02 -7.934633902e-02 5.56 -7.642657428e-02 -7.642657428e-02 5.58 -7.362418876e-02 -7.362418876e-02 5.60 -7.093798658e-02 -7.093798658e-02 5.62 -6.836591062e-02 -6.836591062e-02 5.64 -6.590514595e-02 -6.590514595e-02 5.66 -6.355198188e-02 -6.355198188e-02 5.68 -6.130192378e-02 -6.130192378e-02 5.70 -5.914983723e-02 -5.914983723e-02 5.72 -5.709010665e-02 -5.709010665e-02 5.74 -5.511679361e-02 -5.511679361e-02 5.76 -5.322378366e-02 -5.322378366e-02 5.78 -5.140491415e-02 -5.140491415e-02 5.80 -4.965407961e-02 -4.965407961e-02 5.82 -4.796531370e-02 -4.796531370e-02 5.84 -4.633284949e-02 -4.633284949e-02 5.86 -4.475116091e-02 -4.475116091e-02 5.88 -4.321498913e-02 -4.321498913e-02 5.90 -4.171935802e-02 -4.171935802e-02 5.92 -4.025958249e-02 -4.025958249e-02 5.94 -3.883127330e-02 -3.883127330e-02 5.96 -3.743034168e-02 -3.743034168e-02 5.98 -3.605300620e-02 -3.605300620e-02 6.00 -3.469580399e-02 -3.469580399e-02