# 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 = Cu2NiPd # 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 3.033750953e+06 3.033750953e+06 0.88 2.754982061e+06 2.754982061e+06 0.90 2.500762988e+06 2.500762988e+06 0.92 2.268512966e+06 2.268512966e+06 0.94 2.055957923e+06 2.055957923e+06 0.96 1.861069488e+06 1.861069488e+06 0.98 1.682064217e+06 1.682064217e+06 1.00 1.517401772e+06 1.517401772e+06 1.02 1.365695622e+06 1.365695622e+06 1.04 1.225702561e+06 1.225702561e+06 1.06 1.096341567e+06 1.096341567e+06 1.08 9.766413579e+05 9.766413579e+05 1.10 8.657458837e+05 8.657458837e+05 1.12 7.628952086e+05 7.628952086e+05 1.14 6.673904306e+05 6.673904306e+05 1.16 5.785760237e+05 5.785760237e+05 1.18 4.958915603e+05 4.958915603e+05 1.20 4.188418523e+05 4.188418523e+05 1.22 3.469704839e+05 3.469704839e+05 1.24 2.806048139e+05 2.806048139e+05 1.26 2.226179090e+05 2.226179090e+05 1.28 1.756776502e+05 1.756776502e+05 1.30 1.388690492e+05 1.388690492e+05 1.32 1.099418033e+05 1.099418033e+05 1.34 8.716107510e+04 8.716107510e+04 1.36 6.919052486e+04 6.919052486e+04 1.38 5.499220202e+04 5.499220202e+04 1.40 4.375658480e+04 4.375658480e+04 1.42 3.485308111e+04 3.485308111e+04 1.44 2.778710538e+04 2.778710538e+04 1.46 2.217104776e+04 2.217104776e+04 1.48 1.770114932e+04 1.770114932e+04 1.50 1.413974760e+04 1.413974760e+04 1.52 1.129996970e+04 1.129996970e+04 1.54 9.033958059e+03 9.033958059e+03 1.56 7.224383316e+03 7.224383316e+03 1.58 5.778248204e+03 5.778248204e+03 1.60 4.621781112e+03 4.621781112e+03 1.62 3.696650290e+03 3.696650290e+03 1.64 2.956322420e+03 2.956322420e+03 1.66 2.363753335e+03 2.363753335e+03 1.68 1.889325604e+03 1.889325604e+03 1.70 1.509423739e+03 1.509423739e+03 1.72 1.205252770e+03 1.205252770e+03 1.74 9.617341840e+02 9.617341840e+02 1.76 7.668205409e+02 7.668205409e+02 1.78 6.108288579e+02 6.108288579e+02 1.80 4.860018444e+02 4.860018444e+02 1.82 3.861521424e+02 3.861521424e+02 1.84 3.063388550e+02 3.063388550e+02 1.86 2.425928549e+02 2.425928549e+02 1.88 1.917244030e+02 1.917244030e+02 1.90 1.511701690e+02 1.511701690e+02 1.92 1.188711165e+02 1.188711165e+02 1.94 9.317110187e+01 9.317110187e+01 1.96 7.273294369e+01 7.273294369e+01 1.98 5.650083515e+01 5.650083515e+01 2.00 4.362567752e+01 4.362567752e+01 2.02 3.342793126e+01 3.342793126e+01 2.04 2.536463033e+01 2.536463033e+01 2.06 1.900021742e+01 1.900021742e+01 2.08 1.398569667e+01 1.398569667e+01 2.10 1.004114571e+01 1.004114571e+01 2.12 6.943719213e+00 6.943719213e+00 2.14 4.515944714e+00 4.515944714e+00 2.16 2.616205282e+00 2.616205282e+00 2.18 1.132267276e+00 1.132267276e+00 2.20 -2.476642202e-02 -2.476642202e-02 2.22 -9.252918907e-01 -9.252918907e-01 2.24 -1.624996779e+00 -1.624996779e+00 2.26 -2.167806440e+00 -2.167806440e+00 2.28 -2.588260682e+00 -2.588260682e+00 2.30 -2.913428521e+00 -2.913428521e+00 2.32 -3.164448355e+00 -3.164448355e+00 2.34 -3.357757106e+00 -3.357757106e+00 2.36 -3.506086804e+00 -3.506086804e+00 2.38 -3.619268299e+00 -3.619268299e+00 2.40 -3.704854889e+00 -3.704854889e+00 2.42 -3.768625384e+00 -3.768625384e+00 2.44 -3.814977618e+00 -3.814977618e+00 2.46 -3.847241103e+00 -3.847241103e+00 2.48 -3.867946751e+00 -3.867946751e+00 2.50 -3.879001815e+00 -3.879001815e+00 2.52 -3.881809992e+00 -3.881809992e+00 2.54 -3.877464676e+00 -3.877464676e+00 2.56 -3.866770547e+00 -3.866770547e+00 2.58 -3.850380653e+00 -3.850380653e+00 2.60 -3.828827125e+00 -3.828827125e+00 2.62 -3.802447770e+00 -3.802447770e+00 2.64 -3.771498008e+00 -3.771498008e+00 2.66 -3.736300837e+00 -3.736300837e+00 2.68 -3.697148806e+00 -3.697148806e+00 2.70 -3.654299793e+00 -3.654299793e+00 2.72 -3.607999611e+00 -3.607999611e+00 2.74 -3.558501965e+00 -3.558501965e+00 2.76 -3.506056419e+00 -3.506056419e+00 2.78 -3.450910131e+00 -3.450910131e+00 2.80 -3.393308471e+00 -3.393308471e+00 2.82 -3.333446577e+00 -3.333446577e+00 2.84 -3.271523343e+00 -3.271523343e+00 2.86 -3.207775223e+00 -3.207775223e+00 2.88 -3.142434559e+00 -3.142434559e+00 2.90 -3.075728680e+00 -3.075728680e+00 2.92 -3.007878993e+00 -3.007878993e+00 2.94 -2.939100112e+00 -2.939100112e+00 2.96 -2.869599060e+00 -2.869599060e+00 2.98 -2.799568756e+00 -2.799568756e+00 3.00 -2.729163635e+00 -2.729163635e+00 3.02 -2.658557178e+00 -2.658557178e+00 3.04 -2.587919057e+00 -2.587919057e+00 3.06 -2.517391903e+00 -2.517391903e+00 3.08 -2.447028930e+00 -2.447028930e+00 3.10 -2.376953168e+00 -2.376953168e+00 3.12 -2.307292785e+00 -2.307292785e+00 3.14 -2.238166540e+00 -2.238166540e+00 3.16 -2.169683951e+00 -2.169683951e+00 3.18 -2.101945514e+00 -2.101945514e+00 3.20 -2.035042953e+00 -2.035042953e+00 3.22 -1.969059509e+00 -1.969059509e+00 3.24 -1.904070251e+00 -1.904070251e+00 3.26 -1.840142412e+00 -1.840142412e+00 3.28 -1.777335738e+00 -1.777335738e+00 3.30 -1.715680685e+00 -1.715680685e+00 3.32 -1.655190073e+00 -1.655190073e+00 3.34 -1.595904901e+00 -1.595904901e+00 3.36 -1.537860540e+00 -1.537860540e+00 3.38 -1.481086714e+00 -1.481086714e+00 3.40 -1.425607851e+00 -1.425607851e+00 3.42 -1.371443432e+00 -1.371443432e+00 3.44 -1.318608333e+00 -1.318608333e+00 3.46 -1.267113150e+00 -1.267113150e+00 3.48 -1.216964526e+00 -1.216964526e+00 3.50 -1.168165450e+00 -1.168165450e+00 3.52 -1.120715558e+00 -1.120715558e+00 3.54 -1.074611413e+00 -1.074611413e+00 3.56 -1.029846772e+00 -1.029846772e+00 3.58 -9.864128441e-01 -9.864128441e-01 3.60 -9.442985287e-01 -9.442985287e-01 3.62 -9.034906473e-01 -9.034906473e-01 3.64 -8.639741564e-01 -8.639741564e-01 3.66 -8.257323502e-01 -8.257323502e-01 3.68 -7.887470501e-01 -7.887470501e-01 3.70 -7.529987815e-01 -7.529987815e-01 3.72 -7.184669395e-01 -7.184669395e-01 3.74 -6.851299426e-01 -6.851299426e-01 3.76 -6.529653750e-01 -6.529653750e-01 3.78 -6.219501197e-01 -6.219501197e-01 3.80 -5.920604802e-01 -5.920604802e-01 3.82 -5.632722933e-01 -5.632722933e-01 3.84 -5.355610332e-01 -5.355610332e-01 3.86 -5.089019060e-01 -5.089019060e-01 3.88 -4.832699373e-01 -4.832699373e-01 3.90 -4.586400514e-01 -4.586400514e-01 3.92 -4.349871433e-01 -4.349871433e-01 3.94 -4.122861450e-01 -4.122861450e-01 3.96 -3.905120840e-01 -3.905120840e-01 3.98 -3.696401370e-01 -3.696401370e-01 4.00 -3.496456779e-01 -3.496456779e-01 4.02 -3.305043207e-01 -3.305043207e-01 4.04 -3.121919571e-01 -3.121919571e-01 4.06 -2.946847906e-01 -2.946847906e-01 4.08 -2.779593659e-01 -2.779593659e-01 4.10 -2.619925949e-01 -2.619925949e-01 4.12 -2.467617785e-01 -2.467617785e-01 4.14 -2.322446265e-01 -2.322446265e-01 4.16 -2.184192731e-01 -2.184192731e-01 4.18 -2.052642908e-01 -2.052642908e-01 4.20 -1.927587013e-01 -1.927587013e-01 4.22 -1.808740391e-01 -1.808740391e-01 4.24 -1.695824228e-01 -1.695824228e-01 4.26 -1.588649689e-01 -1.588649689e-01 4.28 -1.487032398e-01 -1.487032398e-01 4.30 -1.390792447e-01 -1.390792447e-01 4.32 -1.299716498e-01 -1.299716498e-01 4.34 -1.213211957e-01 -1.213211957e-01 4.36 -1.131011209e-01 -1.131011209e-01 4.38 -1.052972154e-01 -1.052972154e-01 4.40 -9.789565833e-02 -9.789565833e-02 4.42 -9.088301401e-02 -9.088301401e-02 4.44 -8.424622668e-02 -8.424622668e-02 4.46 -7.797261515e-02 -7.797261515e-02 4.48 -7.204986699e-02 -7.204986699e-02 4.50 -6.646603226e-02 -6.646603226e-02 4.52 -6.120951772e-02 -6.120951772e-02 4.54 -5.626907912e-02 -5.626907912e-02 4.56 -5.163381271e-02 -5.163381271e-02 4.58 -4.729315033e-02 -4.729315033e-02 4.60 -4.323685209e-02 -4.323685209e-02 4.62 -3.945499887e-02 -3.945499887e-02 4.64 -3.593774679e-02 -3.593774679e-02 4.66 -3.266416941e-02 -3.266416941e-02 4.68 -2.960988704e-02 -2.960988704e-02 4.70 -2.676736618e-02 -2.676736618e-02 4.72 -2.412936801e-02 -2.412936801e-02 4.74 -2.168883362e-02 -2.168883362e-02 4.76 -1.943889307e-02 -1.943889307e-02 4.78 -1.737287166e-02 -1.737287166e-02 4.80 -1.548429376e-02 -1.548429376e-02 4.82 -1.376684621e-02 -1.376684621e-02 4.84 -1.221423604e-02 -1.221423604e-02 4.86 -1.081807564e-02 -1.081807564e-02 4.88 -9.557516098e-03 -9.557516098e-03 4.90 -8.425346026e-03 -8.425346026e-03 4.92 -7.417126898e-03 -7.417126898e-03 4.94 -6.528558415e-03 -6.528558415e-03 4.96 -5.755477969e-03 -5.755477969e-03 4.98 -5.093859470e-03 -5.093859470e-03 5.00 -4.508656579e-03 -4.508656579e-03 5.02 -3.966382348e-03 -3.966382348e-03 5.04 -3.465486263e-03 -3.465486263e-03 5.06 -3.004468987e-03 -3.004468987e-03 5.08 -2.581881439e-03 -2.581881439e-03 5.10 -2.196323964e-03 -2.196323964e-03 5.12 -1.846445375e-03 -1.846445375e-03 5.14 -1.530941870e-03 -1.530941870e-03 5.16 -1.248555876e-03 -1.248555876e-03 5.18 -9.980748232e-04 -9.980748232e-04 5.20 -7.783298724e-04 -7.783298724e-04 5.22 -5.881946136e-04 -5.881946136e-04 5.24 -4.265837450e-04 -4.265837450e-04 5.26 -2.924517445e-04 -2.924517445e-04 5.28 -1.847915440e-04 -1.847915440e-04 5.30 -1.026332123e-04 -1.026332123e-04 5.32 -4.504265405e-05 -4.504265405e-05 5.34 -1.112032967e-05 -1.112032967e-05 5.36 1.369037564e-10 1.369037564e-10 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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