# 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 = AuCuPb2 # 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 3.385162333e+02 3.385162333e+02 1.30 3.156875812e+02 3.156875812e+02 1.32 2.944676731e+02 2.944676731e+02 1.34 2.747329607e+02 2.747329607e+02 1.36 2.563674166e+02 2.563674166e+02 1.38 2.392629349e+02 2.392629349e+02 1.40 2.233203322e+02 2.233203322e+02 1.42 2.084497028e+02 2.084497028e+02 1.44 1.945700102e+02 1.945700102e+02 1.46 1.816083255e+02 1.816083255e+02 1.48 1.694988606e+02 1.694988606e+02 1.50 1.581817061e+02 1.581817061e+02 1.52 1.476014072e+02 1.476014072e+02 1.54 1.377059230e+02 1.377059230e+02 1.56 1.284462183e+02 1.284462183e+02 1.58 1.197763805e+02 1.197763805e+02 1.60 1.116539332e+02 1.116539332e+02 1.62 1.040401142e+02 1.040401142e+02 1.64 9.689989014e+01 9.689989014e+01 1.66 9.020170955e+01 9.020170955e+01 1.68 8.391733965e+01 8.391733965e+01 1.70 7.803008505e+01 7.803008505e+01 1.72 7.252531500e+01 7.252531500e+01 1.74 6.738893174e+01 6.738893174e+01 1.76 6.259754433e+01 6.259754433e+01 1.78 5.812868380e+01 5.812868380e+01 1.80 5.396077692e+01 5.396077692e+01 1.82 5.007308255e+01 5.007308255e+01 1.84 4.644582371e+01 4.644582371e+01 1.86 4.306038632e+01 4.306038632e+01 1.88 3.989948303e+01 3.989948303e+01 1.90 3.694719158e+01 3.694719158e+01 1.92 3.418889311e+01 3.418889311e+01 1.94 3.161119451e+01 3.161119451e+01 1.96 2.920185286e+01 2.920185286e+01 1.98 2.694970078e+01 2.694970078e+01 2.00 2.484453772e+01 2.484453772e+01 2.02 2.287698795e+01 2.287698795e+01 2.04 2.103835122e+01 2.103835122e+01 2.06 1.932048631e+01 1.932048631e+01 2.08 1.771574750e+01 1.771574750e+01 2.10 1.621695620e+01 1.621695620e+01 2.12 1.481739751e+01 1.481739751e+01 2.14 1.351080918e+01 1.351080918e+01 2.16 1.229135986e+01 1.229135986e+01 2.18 1.115361716e+01 1.115361716e+01 2.20 1.009250699e+01 1.009250699e+01 2.22 9.103280347e+00 9.103280347e+00 2.24 8.181485149e+00 8.181485149e+00 2.26 7.322945042e+00 7.322945042e+00 2.28 6.523742691e+00 6.523742691e+00 2.30 5.780196883e+00 5.780196883e+00 2.32 5.088837066e+00 5.088837066e+00 2.34 4.446381103e+00 4.446381103e+00 2.36 3.849708434e+00 3.849708434e+00 2.38 3.295845838e+00 3.295845838e+00 2.40 2.781962241e+00 2.781962241e+00 2.42 2.305372505e+00 2.305372505e+00 2.44 1.863545334e+00 1.863545334e+00 2.46 1.454112988e+00 1.454112988e+00 2.48 1.074877974e+00 1.074877974e+00 2.50 7.238149440e-01 7.238149440e-01 2.52 3.990664533e-01 3.990664533e-01 2.54 9.893245087e-02 9.893245087e-02 2.56 -1.781456530e-01 -1.781456530e-01 2.58 -4.336046878e-01 -4.336046878e-01 2.60 -6.687808892e-01 -6.687808892e-01 2.62 -8.849291805e-01 -8.849291805e-01 2.64 -1.083242914e+00 -1.083242914e+00 2.66 -1.264860321e+00 -1.264860321e+00 2.68 -1.430874211e+00 -1.430874211e+00 2.70 -1.582331755e+00 -1.582331755e+00 2.72 -1.720276997e+00 -1.720276997e+00 2.74 -1.845886249e+00 -1.845886249e+00 2.76 -1.959865249e+00 -1.959865249e+00 2.78 -2.062793641e+00 -2.062793641e+00 2.80 -2.155236728e+00 -2.155236728e+00 2.82 -2.237737841e+00 -2.237737841e+00 2.84 -2.310817853e+00 -2.310817853e+00 2.86 -2.374975896e+00 -2.374975896e+00 2.88 -2.430692153e+00 -2.430692153e+00 2.90 -2.478432622e+00 -2.478432622e+00 2.92 -2.518662457e+00 -2.518662457e+00 2.94 -2.551839462e+00 -2.551839462e+00 2.96 -2.578410575e+00 -2.578410575e+00 2.98 -2.598814057e+00 -2.598814057e+00 3.00 -2.613480942e+00 -2.613480942e+00 3.02 -2.622835520e+00 -2.622835520e+00 3.04 -2.627294089e+00 -2.627294089e+00 3.06 -2.627265796e+00 -2.627265796e+00 3.08 -2.623145631e+00 -2.623145631e+00 3.10 -2.615314031e+00 -2.615314031e+00 3.12 -2.604131653e+00 -2.604131653e+00 3.14 -2.589941415e+00 -2.589941415e+00 3.16 -2.573058927e+00 -2.573058927e+00 3.18 -2.553809616e+00 -2.553809616e+00 3.20 -2.532492061e+00 -2.532492061e+00 3.22 -2.509281241e+00 -2.509281241e+00 3.24 -2.484336777e+00 -2.484336777e+00 3.26 -2.457803637e+00 -2.457803637e+00 3.28 -2.429811055e+00 -2.429811055e+00 3.30 -2.400473290e+00 -2.400473290e+00 3.32 -2.369891960e+00 -2.369891960e+00 3.34 -2.338159049e+00 -2.338159049e+00 3.36 -2.305352082e+00 -2.305352082e+00 3.38 -2.271533638e+00 -2.271533638e+00 3.40 -2.236769084e+00 -2.236769084e+00 3.42 -2.201129497e+00 -2.201129497e+00 3.44 -2.164689405e+00 -2.164689405e+00 3.46 -2.127527018e+00 -2.127527018e+00 3.48 -2.089722386e+00 -2.089722386e+00 3.50 -2.051355783e+00 -2.051355783e+00 3.52 -2.012506202e+00 -2.012506202e+00 3.54 -1.973250144e+00 -1.973250144e+00 3.56 -1.933660838e+00 -1.933660838e+00 3.58 -1.893807930e+00 -1.893807930e+00 3.60 -1.853757660e+00 -1.853757660e+00 3.62 -1.813573459e+00 -1.813573459e+00 3.64 -1.773316884e+00 -1.773316884e+00 3.66 -1.733048729e+00 -1.733048729e+00 3.68 -1.692830134e+00 -1.692830134e+00 3.70 -1.652723509e+00 -1.652723509e+00 3.72 -1.612793080e+00 -1.612793080e+00 3.74 -1.573104933e+00 -1.573104933e+00 3.76 -1.533726496e+00 -1.533726496e+00 3.78 -1.494725497e+00 -1.494725497e+00 3.80 -1.456168488e+00 -1.456168488e+00 3.82 -1.418119112e+00 -1.418119112e+00 3.84 -1.380636278e+00 -1.380636278e+00 3.86 -1.343772426e+00 -1.343772426e+00 3.88 -1.307572028e+00 -1.307572028e+00 3.90 -1.272070475e+00 -1.272070475e+00 3.92 -1.237292694e+00 -1.237292694e+00 3.94 -1.203256072e+00 -1.203256072e+00 3.96 -1.169966018e+00 -1.169966018e+00 3.98 -1.137420157e+00 -1.137420157e+00 4.00 -1.105608573e+00 -1.105608573e+00 4.02 -1.074515140e+00 -1.074515140e+00 4.04 -1.044118900e+00 -1.044118900e+00 4.06 -1.014395398e+00 -1.014395398e+00 4.08 -9.853178917e-01 -9.853178917e-01 4.10 -9.568564525e-01 -9.568564525e-01 4.12 -9.289871171e-01 -9.289871171e-01 4.14 -9.016797582e-01 -9.016797582e-01 4.16 -8.749078978e-01 -8.749078978e-01 4.18 -8.486469803e-01 -8.486469803e-01 4.20 -8.228750212e-01 -8.228750212e-01 4.22 -7.975732303e-01 -7.975732303e-01 4.24 -7.727265998e-01 -7.727265998e-01 4.26 -7.483244327e-01 -7.483244327e-01 4.28 -7.243607741e-01 -7.243607741e-01 4.30 -7.008347033e-01 -7.008347033e-01 4.32 -6.777504418e-01 -6.777504418e-01 4.34 -6.551172362e-01 -6.551172362e-01 4.36 -6.329489814e-01 -6.329489814e-01 4.38 -6.112635621e-01 -6.112635621e-01 4.40 -5.900819094e-01 -5.900819094e-01 4.42 -5.694267936e-01 -5.694267936e-01 4.44 -5.493214044e-01 -5.493214044e-01 4.46 -5.297878047e-01 -5.297878047e-01 4.48 -5.108453754e-01 -5.108453754e-01 4.50 -4.925093827e-01 -4.925093827e-01 4.52 -4.747898034e-01 -4.747898034e-01 4.54 -4.576905128e-01 -4.576905128e-01 4.56 -4.412089035e-01 -4.412089035e-01 4.58 -4.253359446e-01 -4.253359446e-01 4.60 -4.100566424e-01 -4.100566424e-01 4.62 -3.953508206e-01 -3.953508206e-01 4.64 -3.811941189e-01 -3.811941189e-01 4.66 -3.675591026e-01 -3.675591026e-01 4.68 -3.544163876e-01 -3.544163876e-01 4.70 -3.417357093e-01 -3.417357093e-01 4.72 -3.294868853e-01 -3.294868853e-01 4.74 -3.176406470e-01 -3.176406470e-01 4.76 -3.061693314e-01 -3.061693314e-01 4.78 -2.950474386e-01 -2.950474386e-01 4.80 -2.842505475e-01 -2.842505475e-01 4.82 -2.737619288e-01 -2.737619288e-01 4.84 -2.635629048e-01 -2.635629048e-01 4.86 -2.536398074e-01 -2.536398074e-01 4.88 -2.439821675e-01 -2.439821675e-01 4.90 -2.345825923e-01 -2.345825923e-01 4.92 -2.254365284e-01 -2.254365284e-01 4.94 -2.165419138e-01 -2.165419138e-01 4.96 -2.078987282e-01 -2.078987282e-01 4.98 -1.995084641e-01 -1.995084641e-01 5.00 -1.913735493e-01 -1.913735493e-01 5.02 -1.834967612e-01 -1.834967612e-01 5.04 -1.758806769e-01 -1.758806769e-01 5.06 -1.685272020e-01 -1.685272020e-01 5.08 -1.614372152e-01 -1.614372152e-01 5.10 -1.546103424e-01 -1.546103424e-01 5.12 -1.480448753e-01 -1.480448753e-01 5.14 -1.417378223e-01 -1.417378223e-01 5.16 -1.356850618e-01 -1.356850618e-01 5.18 -1.298815652e-01 -1.298815652e-01 5.20 -1.243216512e-01 -1.243216512e-01 5.22 -1.189992266e-01 -1.189992266e-01 5.24 -1.139079953e-01 -1.139079953e-01 5.26 -1.090416063e-01 -1.090416063e-01 5.28 -1.043937338e-01 -1.043937338e-01 5.30 -9.995809027e-02 -9.995809027e-02 5.32 -9.572822316e-02 -9.572822316e-02 5.34 -9.169697607e-02 -9.169697607e-02 5.36 -8.785815980e-02 -8.785815980e-02 5.38 -8.420534201e-02 -8.420534201e-02 5.40 -8.073159054e-02 -8.073159054e-02 5.42 -7.742946396e-02 -7.742946396e-02 5.44 -7.429103430e-02 -7.429103430e-02 5.46 -7.130794211e-02 -7.130794211e-02 5.48 -6.847147937e-02 -6.847147937e-02 5.50 -6.577269273e-02 -6.577269273e-02 5.52 -6.320249788e-02 -6.320249788e-02 5.54 -6.075179628e-02 -6.075179628e-02 5.56 -5.841158652e-02 -5.841158652e-02 5.58 -5.617306466e-02 -5.617306466e-02 5.60 -5.402770999e-02 -5.402770999e-02 5.62 -5.196735452e-02 -5.196735452e-02 5.64 -4.998423665e-02 -4.998423665e-02 5.66 -4.807104022e-02 -4.807104022e-02 5.68 -4.622092143e-02 -4.622092143e-02 5.70 -4.442752625e-02 -4.442752625e-02 5.72 -4.268500124e-02 -4.268500124e-02 5.74 -4.098800035e-02 -4.098800035e-02 5.76 -3.933169010e-02 -3.933169010e-02 5.78 -3.771175481e-02 -3.771175481e-02 5.80 -3.612440340e-02 -3.612440340e-02 5.82 -3.456637801e-02 -3.456637801e-02 5.84 -3.303496485e-02 -3.303496485e-02 5.86 -3.152800617e-02 -3.152800617e-02 5.88 -3.004391242e-02 -3.004391242e-02 5.90 -2.858167245e-02 -2.858167245e-02 5.92 -2.714085947e-02 -2.714085947e-02 5.94 -2.572163000e-02 -2.572163000e-02 5.96 -2.432471307e-02 -2.432471307e-02 5.98 -2.295138625e-02 -2.295138625e-02 6.00 -2.160343717e-02 -2.160343717e-02