# 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 = CuMgPd2 # 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 2.661955141e+02 2.661955141e+02 1.30 2.462362851e+02 2.462362851e+02 1.32 2.277673888e+02 2.277673888e+02 1.34 2.106727126e+02 2.106727126e+02 1.36 1.948447808e+02 1.948447808e+02 1.38 1.801828646e+02 1.801828646e+02 1.40 1.665927066e+02 1.665927066e+02 1.42 1.539871688e+02 1.539871688e+02 1.44 1.422872617e+02 1.422872617e+02 1.46 1.314227365e+02 1.314227365e+02 1.48 1.213314112e+02 1.213314112e+02 1.50 1.119573837e+02 1.119573837e+02 1.52 1.032490378e+02 1.032490378e+02 1.54 9.515761638e+01 9.515761638e+01 1.56 8.763661485e+01 8.763661485e+01 1.58 8.064182284e+01 8.064182284e+01 1.60 7.413423676e+01 7.413423676e+01 1.62 6.810480776e+01 6.810480776e+01 1.64 6.252431798e+01 6.252431798e+01 1.66 5.735878060e+01 5.735878060e+01 1.68 5.257814782e+01 5.257814782e+01 1.70 4.815519509e+01 4.815519509e+01 1.72 4.406465494e+01 4.406465494e+01 1.74 4.028272866e+01 4.028272866e+01 1.76 3.678698647e+01 3.678698647e+01 1.78 3.355645650e+01 3.355645650e+01 1.80 3.057167577e+01 3.057167577e+01 1.82 2.781461269e+01 2.781461269e+01 1.84 2.526849898e+01 2.526849898e+01 1.86 2.291763568e+01 2.291763568e+01 1.88 2.074723021e+01 2.074723021e+01 1.90 1.874333351e+01 1.874333351e+01 1.92 1.689290884e+01 1.689290884e+01 1.94 1.518397731e+01 1.518397731e+01 1.96 1.360573010e+01 1.360573010e+01 1.98 1.214851537e+01 1.214851537e+01 2.00 1.080369689e+01 1.080369689e+01 2.02 9.563447007e+00 9.563447007e+00 2.04 8.420549282e+00 8.420549282e+00 2.06 7.368254588e+00 7.368254588e+00 2.08 6.400199297e+00 6.400199297e+00 2.10 5.510374572e+00 5.510374572e+00 2.12 4.693124969e+00 4.693124969e+00 2.14 3.943157820e+00 3.943157820e+00 2.16 3.255548388e+00 3.255548388e+00 2.18 2.625733123e+00 2.625733123e+00 2.20 2.049493348e+00 2.049493348e+00 2.22 1.522932245e+00 1.522932245e+00 2.24 1.042451696e+00 1.042451696e+00 2.26 6.047288556e-01 6.047288556e-01 2.28 2.066885652e-01 2.066885652e-01 2.30 -1.545276808e-01 -1.545276808e-01 2.32 -4.815977603e-01 -4.815977603e-01 2.34 -7.770474724e-01 -7.770474724e-01 2.36 -1.043270470e+00 -1.043270470e+00 2.38 -1.282537109e+00 -1.282537109e+00 2.40 -1.496998752e+00 -1.496998752e+00 2.42 -1.688693539e+00 -1.688693539e+00 2.44 -1.859554330e+00 -1.859554330e+00 2.46 -2.011417110e+00 -2.011417110e+00 2.48 -2.146022362e+00 -2.146022362e+00 2.50 -2.265080535e+00 -2.265080535e+00 2.52 -2.370763526e+00 -2.370763526e+00 2.54 -2.464235900e+00 -2.464235900e+00 2.56 -2.546336832e+00 -2.546336832e+00 2.58 -2.618028292e+00 -2.618028292e+00 2.60 -2.679842838e+00 -2.679842838e+00 2.62 -2.732107316e+00 -2.732107316e+00 2.64 -2.775160046e+00 -2.775160046e+00 2.66 -2.809364729e+00 -2.809364729e+00 2.68 -2.835174716e+00 -2.835174716e+00 2.70 -2.853115368e+00 -2.853115368e+00 2.72 -2.863719607e+00 -2.863719607e+00 2.74 -2.867538421e+00 -2.867538421e+00 2.76 -2.865124019e+00 -2.865124019e+00 2.78 -2.857002378e+00 -2.857002378e+00 2.80 -2.843669431e+00 -2.843669431e+00 2.82 -2.825592345e+00 -2.825592345e+00 2.84 -2.803217581e+00 -2.803217581e+00 2.86 -2.776981280e+00 -2.776981280e+00 2.88 -2.747319177e+00 -2.747319177e+00 2.90 -2.714672138e+00 -2.714672138e+00 2.92 -2.679484672e+00 -2.679484672e+00 2.94 -2.642195952e+00 -2.642195952e+00 2.96 -2.603225336e+00 -2.603225336e+00 2.98 -2.562956240e+00 -2.562956240e+00 3.00 -2.521722729e+00 -2.521722729e+00 3.02 -2.479802028e+00 -2.479802028e+00 3.04 -2.437413844e+00 -2.437413844e+00 3.06 -2.394726521e+00 -2.394726521e+00 3.08 -2.351864853e+00 -2.351864853e+00 3.10 -2.308921030e+00 -2.308921030e+00 3.12 -2.265963443e+00 -2.265963443e+00 3.14 -2.223044983e+00 -2.223044983e+00 3.16 -2.180209000e+00 -2.180209000e+00 3.18 -2.137506109e+00 -2.137506109e+00 3.20 -2.094954450e+00 -2.094954450e+00 3.22 -2.052565188e+00 -2.052565188e+00 3.24 -2.010350791e+00 -2.010350791e+00 3.26 -1.968325811e+00 -1.968325811e+00 3.28 -1.926507640e+00 -1.926507640e+00 3.30 -1.884917093e+00 -1.884917093e+00 3.32 -1.843578654e+00 -1.843578654e+00 3.34 -1.802517002e+00 -1.802517002e+00 3.36 -1.761739667e+00 -1.761739667e+00 3.38 -1.721252507e+00 -1.721252507e+00 3.40 -1.681068688e+00 -1.681068688e+00 3.42 -1.641207082e+00 -1.641207082e+00 3.44 -1.601690443e+00 -1.601690443e+00 3.46 -1.562544077e+00 -1.562544077e+00 3.48 -1.523794360e+00 -1.523794360e+00 3.50 -1.485467376e+00 -1.485467376e+00 3.52 -1.447587686e+00 -1.447587686e+00 3.54 -1.410177264e+00 -1.410177264e+00 3.56 -1.373254647e+00 -1.373254647e+00 3.58 -1.336834346e+00 -1.336834346e+00 3.60 -1.300926520e+00 -1.300926520e+00 3.62 -1.265536929e+00 -1.265536929e+00 3.64 -1.230667172e+00 -1.230667172e+00 3.66 -1.196315202e+00 -1.196315202e+00 3.68 -1.162476111e+00 -1.162476111e+00 3.70 -1.129143154e+00 -1.129143154e+00 3.72 -1.096308972e+00 -1.096308972e+00 3.74 -1.063966918e+00 -1.063966918e+00 3.76 -1.032112376e+00 -1.032112376e+00 3.78 -1.000743903e+00 -1.000743903e+00 3.80 -9.698640395e-01 -9.698640395e-01 3.82 -9.394796066e-01 -9.394796066e-01 3.84 -9.096014062e-01 -9.096014062e-01 3.86 -8.802433151e-01 -8.802433151e-01 3.88 -8.514208947e-01 -8.514208947e-01 3.90 -8.231497514e-01 -8.231497514e-01 3.92 -7.954438648e-01 -7.954438648e-01 3.94 -7.683147506e-01 -7.683147506e-01 3.96 -7.417702288e-01 -7.417702288e-01 3.98 -7.158149114e-01 -7.158149114e-01 4.00 -6.904507727e-01 -6.904507727e-01 4.02 -6.656782691e-01 -6.656782691e-01 4.04 -6.414976181e-01 -6.414976181e-01 4.06 -6.179099415e-01 -6.179099415e-01 4.08 -5.949180129e-01 -5.949180129e-01 4.10 -5.725261765e-01 -5.725261765e-01 4.12 -5.507409994e-01 -5.507409994e-01 4.14 -5.295685236e-01 -5.295685236e-01 4.16 -5.090141017e-01 -5.090141017e-01 4.18 -4.890805439e-01 -4.890805439e-01 4.20 -4.697667416e-01 -4.697667416e-01 4.22 -4.510666891e-01 -4.510666891e-01 4.24 -4.329690735e-01 -4.329690735e-01 4.26 -4.154574930e-01 -4.154574930e-01 4.28 -3.985112523e-01 -3.985112523e-01 4.30 -3.821065904e-01 -3.821065904e-01 4.32 -3.662181415e-01 -3.662181415e-01 4.34 -3.508204097e-01 -3.508204097e-01 4.36 -3.358890584e-01 -3.358890584e-01 4.38 -3.214018623e-01 -3.214018623e-01 4.40 -3.073392289e-01 -3.073392289e-01 4.42 -2.936842705e-01 -2.936842705e-01 4.44 -2.804224744e-01 -2.804224744e-01 4.46 -2.675410783e-01 -2.675410783e-01 4.48 -2.550282999e-01 -2.550282999e-01 4.50 -2.428725885e-01 -2.428725885e-01 4.52 -2.310620527e-01 -2.310620527e-01 4.54 -2.195841885e-01 -2.195841885e-01 4.56 -2.084259733e-01 -2.084259733e-01 4.58 -1.975743323e-01 -1.975743323e-01 4.60 -1.870169203e-01 -1.870169203e-01 4.62 -1.767431146e-01 -1.767431146e-01 4.64 -1.667450808e-01 -1.667450808e-01 4.66 -1.570187602e-01 -1.570187602e-01 4.68 -1.475646328e-01 -1.475646328e-01 4.70 -1.383881318e-01 -1.383881318e-01 4.72 -1.294996232e-01 -1.294996232e-01 4.74 -1.209139110e-01 -1.209139110e-01 4.76 -1.126492878e-01 -1.126492878e-01 4.78 -1.047262020e-01 -1.047262020e-01 4.80 -9.716546903e-02 -9.716546903e-02 4.82 -8.998740829e-02 -8.998740829e-02 4.84 -8.320892809e-02 -8.320892809e-02 4.86 -7.684305087e-02 -7.684305087e-02 4.88 -7.089764583e-02 -7.089764583e-02 4.90 -6.537483333e-02 -6.537483333e-02 4.92 -6.027083787e-02 -6.027083787e-02 4.94 -5.557625959e-02 -5.557625959e-02 4.96 -5.127665830e-02 -5.127665830e-02 4.98 -4.735339467e-02 -4.735339467e-02 5.00 -4.378460591e-02 -4.378460591e-02 5.02 -4.054620067e-02 -4.054620067e-02 5.04 -3.761218753e-02 -3.761218753e-02 5.06 -3.495654397e-02 -3.495654397e-02 5.08 -3.255445185e-02 -3.255445185e-02 5.10 -3.038158141e-02 -3.038158141e-02 5.12 -2.841464132e-02 -2.841464132e-02 5.14 -2.663172308e-02 -2.663172308e-02 5.16 -2.501253522e-02 -2.501253522e-02 5.18 -2.353864994e-02 -2.353864994e-02 5.20 -2.219340466e-02 -2.219340466e-02 5.22 -2.096186451e-02 -2.096186451e-02 5.24 -1.983074786e-02 -1.983074786e-02 5.26 -1.878832432e-02 -1.878832432e-02 5.28 -1.782429787e-02 -1.782429787e-02 5.30 -1.692968395e-02 -1.692968395e-02 5.32 -1.609668666e-02 -1.609668666e-02 5.34 -1.531857940e-02 -1.531857940e-02 5.36 -1.458957755e-02 -1.458957755e-02 5.38 -1.390474949e-02 -1.390474949e-02 5.40 -1.325992064e-02 -1.325992064e-02 5.42 -1.265156343e-02 -1.265156343e-02 5.44 -1.207670460e-02 -1.207670460e-02 5.46 -1.153283709e-02 -1.153283709e-02 5.48 -1.101783664e-02 -1.101783664e-02 5.50 -1.052988418e-02 -1.052988418e-02 5.52 -1.006739525e-02 -1.006739525e-02 5.54 -9.628957881e-03 -9.628957881e-03 5.56 -9.213280363e-03 -9.213280363e-03 5.58 -8.819149590e-03 -8.819149590e-03 5.60 -8.445400350e-03 -8.445400350e-03 5.62 -8.090894925e-03 -8.090894925e-03 5.64 -7.754511806e-03 -7.754511806e-03 5.66 -7.435141829e-03 -7.435141829e-03 5.68 -7.131689757e-03 -7.131689757e-03 5.70 -6.843079361e-03 -6.843079361e-03 5.72 -6.568260257e-03 -6.568260257e-03 5.74 -6.306215076e-03 -6.306215076e-03 5.76 -6.055965987e-03 -6.055965987e-03 5.78 -5.816579933e-03 -5.816579933e-03 5.80 -5.587172336e-03 -5.587172336e-03 5.82 -5.366909237e-03 -5.366909237e-03 5.84 -5.155008058e-03 -5.155008058e-03 5.86 -4.950737266e-03 -4.950737266e-03 5.88 -4.753415263e-03 -4.753415263e-03 5.90 -4.562408846e-03 -4.562408846e-03 5.92 -4.377131558e-03 -4.377131558e-03 5.94 -4.197042189e-03 -4.197042189e-03 5.96 -4.021643675e-03 -4.021643675e-03 5.98 -3.850482565e-03 -3.850482565e-03 6.00 -3.683149172e-03 -3.683149172e-03