# 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 = CoCuNi2 # 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 1.063188081e+02 1.063188081e+02 1.30 9.725330918e+01 9.725330918e+01 1.32 8.892428479e+01 8.892428479e+01 1.34 8.126455020e+01 8.126455020e+01 1.36 7.421577367e+01 7.421577367e+01 1.38 6.772836777e+01 6.772836777e+01 1.40 6.175919220e+01 6.175919220e+01 1.42 5.626923886e+01 5.626923886e+01 1.44 5.122200091e+01 5.122200091e+01 1.46 4.658251310e+01 4.658251310e+01 1.48 4.231715542e+01 4.231715542e+01 1.50 3.839410154e+01 3.839410154e+01 1.52 3.478401937e+01 3.478401937e+01 1.54 3.146055504e+01 3.146055504e+01 1.56 2.840024386e+01 2.840024386e+01 1.58 2.558200083e+01 2.558200083e+01 1.60 2.298732637e+01 2.298732637e+01 1.62 2.059899394e+01 2.059899394e+01 1.64 1.840143047e+01 1.840143047e+01 1.66 1.638079827e+01 1.638079827e+01 1.68 1.452455034e+01 1.452455034e+01 1.70 1.282092873e+01 1.282092873e+01 1.72 1.125854030e+01 1.125854030e+01 1.74 9.826116532e+00 9.826116532e+00 1.76 8.512565624e+00 8.512565624e+00 1.78 7.307316776e+00 7.307316776e+00 1.80 6.200776935e+00 6.200776935e+00 1.82 5.184649116e+00 5.184649116e+00 1.84 4.251955421e+00 4.251955421e+00 1.86 3.396779571e+00 3.396779571e+00 1.88 2.613874648e+00 2.613874648e+00 1.90 1.898306526e+00 1.898306526e+00 1.92 1.245242369e+00 1.245242369e+00 1.94 6.499104286e-01 6.499104286e-01 1.96 1.076901460e-01 1.076901460e-01 1.98 -3.857474849e-01 -3.857474849e-01 2.00 -8.343287178e-01 -8.343287178e-01 2.02 -1.241538244e+00 -1.241538244e+00 2.04 -1.610451771e+00 -1.610451771e+00 2.06 -1.943810037e+00 -1.943810037e+00 2.08 -2.244098008e+00 -2.244098008e+00 2.10 -2.513605666e+00 -2.513605666e+00 2.12 -2.754465733e+00 -2.754465733e+00 2.14 -2.968676089e+00 -2.968676089e+00 2.16 -3.158117106e+00 -3.158117106e+00 2.18 -3.324570797e+00 -3.324570797e+00 2.20 -3.469743770e+00 -3.469743770e+00 2.22 -3.595291552e+00 -3.595291552e+00 2.24 -3.702839392e+00 -3.702839392e+00 2.26 -3.793996036e+00 -3.793996036e+00 2.28 -3.870360487e+00 -3.870360487e+00 2.30 -3.933522155e+00 -3.933522155e+00 2.32 -3.985049427e+00 -3.985049427e+00 2.34 -4.026457699e+00 -4.026457699e+00 2.36 -4.059198519e+00 -4.059198519e+00 2.38 -4.084478621e+00 -4.084478621e+00 2.40 -4.103233616e+00 -4.103233616e+00 2.42 -4.116176804e+00 -4.116176804e+00 2.44 -4.123821453e+00 -4.123821453e+00 2.46 -4.126532267e+00 -4.126532267e+00 2.48 -4.124598220e+00 -4.124598220e+00 2.50 -4.118394385e+00 -4.118394385e+00 2.52 -4.107595054e+00 -4.107595054e+00 2.54 -4.091801389e+00 -4.091801389e+00 2.56 -4.070790340e+00 -4.070790340e+00 2.58 -4.044484527e+00 -4.044484527e+00 2.60 -4.012925222e+00 -4.012925222e+00 2.62 -3.976248075e+00 -3.976248075e+00 2.64 -3.934667855e+00 -3.934667855e+00 2.66 -3.888488368e+00 -3.888488368e+00 2.68 -3.838072982e+00 -3.838072982e+00 2.70 -3.783833407e+00 -3.783833407e+00 2.72 -3.726229128e+00 -3.726229128e+00 2.74 -3.665758346e+00 -3.665758346e+00 2.76 -3.602937143e+00 -3.602937143e+00 2.78 -3.538269448e+00 -3.538269448e+00 2.80 -3.472215216e+00 -3.472215216e+00 2.82 -3.405165572e+00 -3.405165572e+00 2.84 -3.337430965e+00 -3.337430965e+00 2.86 -3.269243434e+00 -3.269243434e+00 2.88 -3.200769631e+00 -3.200769631e+00 2.90 -3.132129209e+00 -3.132129209e+00 2.92 -3.063413579e+00 -3.063413579e+00 2.94 -2.994701819e+00 -2.994701819e+00 2.96 -2.926072396e+00 -2.926072396e+00 2.98 -2.857610567e+00 -2.857610567e+00 3.00 -2.789411810e+00 -2.789411810e+00 3.02 -2.721581718e+00 -2.721581718e+00 3.04 -2.654232799e+00 -2.654232799e+00 3.06 -2.587478939e+00 -2.587478939e+00 3.08 -2.521428772e+00 -2.521428772e+00 3.10 -2.456179526e+00 -2.456179526e+00 3.12 -2.391812759e+00 -2.391812759e+00 3.14 -2.328392710e+00 -2.328392710e+00 3.16 -2.265967089e+00 -2.265967089e+00 3.18 -2.204569489e+00 -2.204569489e+00 3.20 -2.144222468e+00 -2.144222468e+00 3.22 -2.084940499e+00 -2.084940499e+00 3.24 -2.026732418e+00 -2.026732418e+00 3.26 -1.969603229e+00 -1.969603229e+00 3.28 -1.913555371e+00 -1.913555371e+00 3.30 -1.858589542e+00 -1.858589542e+00 3.32 -1.804705178e+00 -1.804705178e+00 3.34 -1.751900669e+00 -1.751900669e+00 3.36 -1.700173339e+00 -1.700173339e+00 3.38 -1.649519212e+00 -1.649519212e+00 3.40 -1.599932623e+00 -1.599932623e+00 3.42 -1.551405727e+00 -1.551405727e+00 3.44 -1.503927969e+00 -1.503927969e+00 3.46 -1.457485610e+00 -1.457485610e+00 3.48 -1.412061379e+00 -1.412061379e+00 3.50 -1.367634306e+00 -1.367634306e+00 3.52 -1.324179777e+00 -1.324179777e+00 3.54 -1.281669798e+00 -1.281669798e+00 3.56 -1.240073476e+00 -1.240073476e+00 3.58 -1.199357669e+00 -1.199357669e+00 3.60 -1.159487800e+00 -1.159487800e+00 3.62 -1.120428810e+00 -1.120428810e+00 3.64 -1.082146273e+00 -1.082146273e+00 3.66 -1.044607705e+00 -1.044607705e+00 3.68 -1.007784074e+00 -1.007784074e+00 3.70 -9.716515429e-01 -9.716515429e-01 3.72 -9.361933809e-01 -9.361933809e-01 3.74 -9.014019341e-01 -9.014019341e-01 3.76 -8.672804420e-01 -8.672804420e-01 3.78 -8.338444038e-01 -8.338444038e-01 3.80 -8.011221430e-01 -8.011221430e-01 3.82 -7.691542294e-01 -7.691542294e-01 3.84 -7.379915085e-01 -7.379915085e-01 3.86 -7.076916812e-01 -7.076916812e-01 3.88 -6.783146312e-01 -6.783146312e-01 3.90 -6.499169717e-01 -6.499169717e-01 3.92 -6.225464909e-01 -6.225464909e-01 3.94 -5.962372496e-01 -5.962372496e-01 3.96 -5.710059923e-01 -5.710059923e-01 3.98 -5.468502910e-01 -5.468502910e-01 4.00 -5.237485180e-01 -5.237485180e-01 4.02 -5.016614415e-01 -5.016614415e-01 4.04 -4.805350184e-01 -4.805350184e-01 4.06 -4.603038699e-01 -4.603038699e-01 4.08 -4.408949557e-01 -4.408949557e-01 4.10 -4.222310737e-01 -4.222310737e-01 4.12 -4.042339572e-01 -4.042339572e-01 4.14 -3.868268701e-01 -3.868268701e-01 4.16 -3.699367119e-01 -3.699367119e-01 4.18 -3.534956952e-01 -3.534956952e-01 4.20 -3.374426851e-01 -3.374426851e-01 4.22 -3.217242844e-01 -3.217242844e-01 4.24 -3.062957261e-01 -3.062957261e-01 4.26 -2.911216122e-01 -2.911216122e-01 4.28 -2.761765145e-01 -2.761765145e-01 4.30 -2.614454369e-01 -2.614454369e-01 4.32 -2.469241257e-01 -2.469241257e-01 4.34 -2.326191935e-01 -2.326191935e-01 4.36 -2.185480034e-01 -2.185480034e-01 4.38 -2.047382284e-01 -2.047382284e-01 4.40 -1.912269811e-01 -1.912269811e-01 4.42 -1.780594080e-01 -1.780594080e-01 4.44 -1.652866792e-01 -1.652866792e-01 4.46 -1.529633805e-01 -1.529633805e-01 4.48 -1.411444178e-01 -1.411444178e-01 4.50 -1.298816599e-01 -1.298816599e-01 4.52 -1.192206228e-01 -1.192206228e-01 4.54 -1.091975412e-01 -1.091975412e-01 4.56 -9.983713273e-02 -9.983713273e-02 4.58 -9.115127534e-02 -9.115127534e-02 4.60 -8.313868631e-02 -8.313868631e-02 4.62 -7.578555562e-02 -7.578555562e-02 4.64 -6.906697349e-02 -6.906697349e-02 4.66 -6.294891809e-02 -6.294891809e-02 4.68 -5.739054642e-02 -5.739054642e-02 4.70 -5.234655476e-02 -5.234655476e-02 4.72 -4.776940823e-02 -4.776940823e-02 4.74 -4.361100799e-02 -4.361100799e-02 4.76 -3.982504014e-02 -3.982504014e-02 4.78 -3.636813752e-02 -3.636813752e-02 4.80 -3.320045373e-02 -3.320045373e-02 4.82 -3.028639429e-02 -3.028639429e-02 4.84 -2.759504327e-02 -2.759504327e-02 4.86 -2.510033092e-02 -2.510033092e-02 4.88 -2.278097389e-02 -2.278097389e-02 4.90 -2.062021567e-02 -2.062021567e-02 4.92 -1.860539225e-02 -1.860539225e-02 4.94 -1.672735085e-02 -1.672735085e-02 4.96 -1.497974034e-02 -1.497974034e-02 4.98 -1.335803545e-02 -1.335803545e-02 5.00 -1.185931074e-02 -1.185931074e-02 5.02 -1.048130926e-02 -1.048130926e-02 5.04 -9.221698449e-03 -9.221698449e-03 5.06 -8.077604799e-03 -8.077604799e-03 5.08 -7.045315820e-03 -7.045315820e-03 5.10 -6.120149065e-03 -6.120149065e-03 5.12 -5.296468239e-03 -5.296468239e-03 5.14 -4.567812959e-03 -4.567812959e-03 5.16 -3.927102479e-03 -3.927102479e-03 5.18 -3.366874483e-03 -3.366874483e-03 5.20 -2.879526033e-03 -2.879526033e-03 5.22 -2.457532533e-03 -2.457532533e-03 5.24 -2.093629872e-03 -2.093629872e-03 5.26 -1.780953211e-03 -1.780953211e-03 5.28 -1.513132254e-03 -1.513132254e-03 5.30 -1.284347085e-03 -1.284347085e-03 5.32 -1.089350954e-03 -1.089350954e-03 5.34 -9.234672344e-04 -9.234672344e-04 5.36 -7.825675568e-04 -7.825675568e-04 5.38 -6.630372927e-04 -6.630372927e-04 5.40 -5.617335078e-04 -5.617335078e-04 5.42 -4.759393506e-04 -4.759393506e-04 5.44 -4.033177992e-04 -4.033177992e-04 5.46 -3.418667954e-04 -3.418667954e-04 5.48 -2.898770735e-04 -2.898770735e-04 5.50 -2.458934381e-04 -2.458934381e-04 5.52 -2.086798418e-04 -2.086798418e-04 5.54 -1.771883289e-04 -1.771883289e-04 5.56 -1.505317241e-04 -1.505317241e-04 5.58 -1.279598288e-04 -1.279598288e-04 5.60 -1.088388250e-04 -1.088388250e-04 5.62 -9.263356003e-05 -9.263356003e-05 5.64 -7.889237995e-05 -7.889237995e-05 5.66 -6.723419806e-05 -6.723419806e-05 5.68 -5.733750214e-05 -5.733750214e-05 5.70 -4.893103429e-05 -4.893103429e-05 5.72 -4.178590510e-05 -4.178590510e-05 5.74 -3.570893189e-05 -3.570893189e-05 5.76 -3.053701845e-05 -3.053701845e-05 5.78 -2.613241770e-05 -2.613241770e-05 5.80 -2.237874174e-05 -2.237874174e-05 5.82 -1.917760270e-05 -1.917760270e-05 5.84 -1.644578575e-05 -1.644578575e-05 5.86 -1.411287018e-05 -1.411287018e-05 5.88 -1.211922773e-05 -1.211922773e-05 5.90 -1.041433796e-05 -1.041433796e-05 5.92 -8.955370468e-06 -8.955370468e-06 5.94 -7.705991044e-06 -7.705991044e-06 5.96 -6.635356323e-06 -6.635356323e-06 5.98 -5.717266675e-06 -5.717266675e-06 6.00 -4.929452157e-06 -4.929452157e-06