# 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 = CoPd2Ta # 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 3.109631967e+02 3.109631967e+02 1.30 2.882271617e+02 2.882271617e+02 1.32 2.671767941e+02 2.671767941e+02 1.34 2.476787935e+02 2.476787935e+02 1.36 2.296079409e+02 2.296079409e+02 1.38 2.128474255e+02 2.128474255e+02 1.40 1.972898519e+02 1.972898519e+02 1.42 1.828377412e+02 1.828377412e+02 1.44 1.694033862e+02 1.694033862e+02 1.46 1.569082827e+02 1.569082827e+02 1.48 1.452820090e+02 1.452820090e+02 1.50 1.344607234e+02 1.344607234e+02 1.52 1.243858785e+02 1.243858785e+02 1.54 1.150033942e+02 1.150033942e+02 1.56 1.062630405e+02 1.062630405e+02 1.58 9.811789521e+01 9.811789521e+01 1.60 9.052404288e+01 9.052404288e+01 1.62 8.344063615e+01 8.344063615e+01 1.64 7.683016675e+01 7.683016675e+01 1.66 7.065861120e+01 7.065861120e+01 1.68 6.489521245e+01 6.489521245e+01 1.70 5.951191939e+01 5.951191939e+01 1.72 5.448290727e+01 5.448290727e+01 1.74 4.978759043e+01 4.978759043e+01 1.76 4.540386825e+01 4.540386825e+01 1.78 4.130941462e+01 4.130941462e+01 1.80 3.749594245e+01 3.749594245e+01 1.82 3.396474022e+01 3.396474022e+01 1.84 3.069598897e+01 3.069598897e+01 1.86 2.767116831e+01 2.767116831e+01 1.88 2.487322902e+01 2.487322902e+01 1.90 2.228635780e+01 2.228635780e+01 1.92 1.989590693e+01 1.989590693e+01 1.94 1.768843560e+01 1.768843560e+01 1.96 1.565172234e+01 1.565172234e+01 1.98 1.377463425e+01 1.377463425e+01 2.00 1.204685378e+01 1.204685378e+01 2.02 1.045857111e+01 1.045857111e+01 2.04 9.000267312e+00 9.000267312e+00 2.06 7.662646837e+00 7.662646837e+00 2.08 6.436695359e+00 6.436695359e+00 2.10 5.313797830e+00 5.313797830e+00 2.12 4.285856707e+00 4.285856707e+00 2.14 3.345375877e+00 3.345375877e+00 2.16 2.485499756e+00 2.485499756e+00 2.18 1.700010861e+00 1.700010861e+00 2.20 9.832941681e-01 9.832941681e-01 2.22 3.302772071e-01 3.302772071e-01 2.24 -2.636452097e-01 -2.636452097e-01 2.26 -8.026926946e-01 -8.026926946e-01 2.28 -1.290778878e+00 -1.290778878e+00 2.30 -1.731581311e+00 -1.731581311e+00 2.32 -2.128595375e+00 -2.128595375e+00 2.34 -2.485167808e+00 -2.485167808e+00 2.36 -2.804507633e+00 -2.804507633e+00 2.38 -3.089543991e+00 -3.089543991e+00 2.40 -3.343272485e+00 -3.343272485e+00 2.42 -3.568644776e+00 -3.568644776e+00 2.44 -3.768370366e+00 -3.768370366e+00 2.46 -3.944920354e+00 -3.944920354e+00 2.48 -4.100538419e+00 -4.100538419e+00 2.50 -4.237110359e+00 -4.237110359e+00 2.52 -4.356032185e+00 -4.356032185e+00 2.54 -4.458614151e+00 -4.458614151e+00 2.56 -4.546104498e+00 -4.546104498e+00 2.58 -4.619657364e+00 -4.619657364e+00 2.60 -4.680320177e+00 -4.680320177e+00 2.62 -4.729035666e+00 -4.729035666e+00 2.64 -4.766687033e+00 -4.766687033e+00 2.66 -4.794031362e+00 -4.794031362e+00 2.68 -4.811719852e+00 -4.811719852e+00 2.70 -4.820357102e+00 -4.820357102e+00 2.72 -4.820510322e+00 -4.820510322e+00 2.74 -4.812717326e+00 -4.812717326e+00 2.76 -4.797492861e+00 -4.797492861e+00 2.78 -4.775477402e+00 -4.775477402e+00 2.80 -4.747685767e+00 -4.747685767e+00 2.82 -4.714314155e+00 -4.714314155e+00 2.84 -4.675498357e+00 -4.675498357e+00 2.86 -4.631434445e+00 -4.631434445e+00 2.88 -4.582373003e+00 -4.582373003e+00 2.90 -4.528612570e+00 -4.528612570e+00 2.92 -4.470490716e+00 -4.470490716e+00 2.94 -4.408372376e+00 -4.408372376e+00 2.96 -4.342666948e+00 -4.342666948e+00 2.98 -4.273836815e+00 -4.273836815e+00 3.00 -4.202312755e+00 -4.202312755e+00 3.02 -4.128477393e+00 -4.128477393e+00 3.04 -4.052662013e+00 -4.052662013e+00 3.06 -3.975147251e+00 -3.975147251e+00 3.08 -3.896166680e+00 -3.896166680e+00 3.10 -3.815912510e+00 -3.815912510e+00 3.12 -3.734542997e+00 -3.734542997e+00 3.14 -3.652191311e+00 -3.652191311e+00 3.16 -3.568975447e+00 -3.568975447e+00 3.18 -3.485008507e+00 -3.485008507e+00 3.20 -3.400408438e+00 -3.400408438e+00 3.22 -3.315306325e+00 -3.315306325e+00 3.24 -3.229852395e+00 -3.229852395e+00 3.26 -3.144219079e+00 -3.144219079e+00 3.28 -3.058600728e+00 -3.058600728e+00 3.30 -2.973209882e+00 -2.973209882e+00 3.32 -2.888270446e+00 -2.888270446e+00 3.34 -2.804008482e+00 -2.804008482e+00 3.36 -2.720641731e+00 -2.720641731e+00 3.38 -2.638369126e+00 -2.638369126e+00 3.40 -2.557361552e+00 -2.557361552e+00 3.42 -2.477754847e+00 -2.477754847e+00 3.44 -2.399645670e+00 -2.399645670e+00 3.46 -2.323090393e+00 -2.323090393e+00 3.48 -2.248106786e+00 -2.248106786e+00 3.50 -2.174677974e+00 -2.174677974e+00 3.52 -2.102758019e+00 -2.102758019e+00 3.54 -2.032278482e+00 -2.032278482e+00 3.56 -1.963155407e+00 -1.963155407e+00 3.58 -1.895296324e+00 -1.895296324e+00 3.60 -1.828607002e+00 -1.828607002e+00 3.62 -1.762997804e+00 -1.762997804e+00 3.64 -1.698389524e+00 -1.698389524e+00 3.66 -1.634718649e+00 -1.634718649e+00 3.68 -1.571941898e+00 -1.571941898e+00 3.70 -1.510039886e+00 -1.510039886e+00 3.72 -1.449019665e+00 -1.449019665e+00 3.74 -1.388915904e+00 -1.388915904e+00 3.76 -1.329790433e+00 -1.329790433e+00 3.78 -1.271730018e+00 -1.271730018e+00 3.80 -1.214842311e+00 -1.214842311e+00 3.82 -1.159250140e+00 -1.159250140e+00 3.84 -1.105084524e+00 -1.105084524e+00 3.86 -1.052476947e+00 -1.052476947e+00 3.88 -1.001551597e+00 -1.001551597e+00 3.90 -9.524182724e-01 -9.524182724e-01 3.92 -9.051666117e-01 -9.051666117e-01 3.94 -8.598621241e-01 -8.598621241e-01 3.96 -8.165442641e-01 -8.165442641e-01 3.98 -7.752265470e-01 -7.752265470e-01 4.00 -7.358984566e-01 -7.358984566e-01 4.02 -6.985287218e-01 -6.985287218e-01 4.04 -6.630694314e-01 -6.630694314e-01 4.06 -6.294604302e-01 -6.294604302e-01 4.08 -5.976334951e-01 -5.976334951e-01 4.10 -5.675158981e-01 -5.675158981e-01 4.12 -5.390331252e-01 -5.390331252e-01 4.14 -5.121106695e-01 -5.121106695e-01 4.16 -4.866749967e-01 -4.866749967e-01 4.18 -4.626538630e-01 -4.626538630e-01 4.20 -4.399762326e-01 -4.399762326e-01 4.22 -4.185720233e-01 -4.185720233e-01 4.24 -3.983718465e-01 -3.983718465e-01 4.26 -3.793068256e-01 -3.793068256e-01 4.28 -3.613085008e-01 -3.613085008e-01 4.30 -3.443087894e-01 -3.443087894e-01 4.32 -3.282399673e-01 -3.282399673e-01 4.34 -3.130346642e-01 -3.130346642e-01 4.36 -2.986258994e-01 -2.986258994e-01 4.38 -2.849472034e-01 -2.849472034e-01 4.40 -2.719328720e-01 -2.719328720e-01 4.42 -2.595183722e-01 -2.595183722e-01 4.44 -2.476408921e-01 -2.476408921e-01 4.46 -2.362399963e-01 -2.362399963e-01 4.48 -2.252583416e-01 -2.252583416e-01 4.50 -2.146424035e-01 -2.146424035e-01 4.52 -2.043431799e-01 -2.043431799e-01 4.54 -1.943168525e-01 -1.943168525e-01 4.56 -1.845253951e-01 -1.845253951e-01 4.58 -1.749371244e-01 -1.749371244e-01 4.60 -1.655271805e-01 -1.655271805e-01 4.62 -1.562779177e-01 -1.562779177e-01 4.64 -1.471791679e-01 -1.471791679e-01 4.66 -1.382283267e-01 -1.382283267e-01 4.68 -1.294302127e-01 -1.294302127e-01 4.70 -1.207966439e-01 -1.207966439e-01 4.72 -1.123456953e-01 -1.123456953e-01 4.74 -1.041006305e-01 -1.041006305e-01 4.76 -9.608853699e-02 -9.608853699e-02 4.78 -8.833873537e-02 -8.833873537e-02 4.80 -8.088107403e-02 -8.088107403e-02 4.82 -7.374423980e-02 -7.374423980e-02 4.84 -6.695421271e-02 -6.695421271e-02 4.86 -6.053299546e-02 -6.053299546e-02 4.88 -5.449768922e-02 -5.449768922e-02 4.90 -4.885994465e-02 -4.885994465e-02 4.92 -4.362578795e-02 -4.362578795e-02 4.94 -3.879575369e-02 -3.879575369e-02 4.96 -3.436520036e-02 -3.436520036e-02 4.98 -3.032485588e-02 -3.032485588e-02 5.00 -2.666161019e-02 -2.666161019e-02 5.02 -2.335900582e-02 -2.335900582e-02 5.04 -2.039763706e-02 -2.039763706e-02 5.06 -1.775620039e-02 -1.775620039e-02 5.08 -1.541235449e-02 -1.541235449e-02 5.10 -1.334278267e-02 -1.334278267e-02 5.12 -1.152379935e-02 -1.152379935e-02 5.14 -9.931887261e-03 -9.931887261e-03 5.16 -8.544154253e-03 -8.544154253e-03 5.18 -7.338703743e-03 -7.338703743e-03 5.20 -6.294916639e-03 -6.294916639e-03 5.22 -5.393646911e-03 -5.393646911e-03 5.24 -4.617337525e-03 -4.617337525e-03 5.26 -3.950066921e-03 -3.950066921e-03 5.28 -3.377538280e-03 -3.377538280e-03 5.30 -2.887024521e-03 -2.887024521e-03 5.32 -2.467281415e-03 -2.467281415e-03 5.34 -2.108439877e-03 -2.108439877e-03 5.36 -1.801886722e-03 -1.801886722e-03 5.38 -1.540141203e-03 -1.540141203e-03 5.40 -1.316732845e-03 -1.316732845e-03 5.42 -1.126084426e-03 -1.126084426e-03 5.44 -9.634026215e-04 -9.634026215e-04 5.46 -8.245777323e-04 -8.245777323e-04 5.48 -7.060931235e-04 -7.060931235e-04 5.50 -6.049444279e-04 -6.049444279e-04 5.52 -5.185681613e-04 -5.185681613e-04 5.54 -4.447791594e-04 -4.447791594e-04 5.56 -3.817161064e-04 -3.817161064e-04 5.58 -3.277943608e-04 -3.277943608e-04 5.60 -2.816652833e-04 -2.816652833e-04 5.62 -2.421812951e-04 -2.421812951e-04 5.64 -2.083659482e-04 -2.083659482e-04 5.66 -1.793883491e-04 -1.793883491e-04 5.68 -1.545413442e-04 -1.545413442e-04 5.70 -1.332229426e-04 -1.332229426e-04 5.72 -1.149205129e-04 -1.149205129e-04 5.74 -9.919735366e-05 -9.919735366e-05 5.76 -8.568128680e-05 -8.568128680e-05 5.78 -7.405497442e-05 -7.405497442e-05 5.80 -6.404770097e-05 -6.404770097e-05 5.82 -5.542839960e-05 -5.542839960e-05 5.84 -4.799973462e-05 -4.799973462e-05 5.86 -4.159307939e-05 -4.159307939e-05 5.88 -3.606425358e-05 -3.606425358e-05 5.90 -3.128990383e-05 -3.128990383e-05 5.92 -2.716442976e-05 -2.716442976e-05 5.94 -2.359737217e-05 -2.359737217e-05 5.96 -2.051119285e-05 -2.051119285e-05 5.98 -1.783938658e-05 -1.783938658e-05 6.00 -1.552487468e-05 -1.552487468e-05