# 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 = Ag2MgPd # 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 2.984788697e+02 2.984788697e+02 1.30 2.763365142e+02 2.763365142e+02 1.32 2.558565303e+02 2.558565303e+02 1.34 2.369063682e+02 2.369063682e+02 1.36 2.193642810e+02 2.193642810e+02 1.38 2.031176440e+02 2.031176440e+02 1.40 1.880623357e+02 1.880623357e+02 1.42 1.741029635e+02 1.741029635e+02 1.44 1.611531144e+02 1.611531144e+02 1.46 1.491349706e+02 1.491349706e+02 1.48 1.379783046e+02 1.379783046e+02 1.50 1.276192370e+02 1.276192370e+02 1.52 1.179990591e+02 1.179990591e+02 1.54 1.090633179e+02 1.090633179e+02 1.56 1.007612551e+02 1.007612551e+02 1.58 9.304557355e+01 9.304557355e+01 1.60 8.587239770e+01 8.587239770e+01 1.62 7.920745943e+01 7.920745943e+01 1.64 7.302911752e+01 7.302911752e+01 1.66 6.730239777e+01 6.730239777e+01 1.68 6.199416311e+01 6.199416311e+01 1.70 5.707390252e+01 5.707390252e+01 1.72 5.251334686e+01 5.251334686e+01 1.74 4.828620306e+01 4.828620306e+01 1.76 4.436800644e+01 4.436800644e+01 1.78 4.073604794e+01 4.073604794e+01 1.80 3.736931511e+01 3.736931511e+01 1.82 3.424840439e+01 3.424840439e+01 1.84 3.135539285e+01 3.135539285e+01 1.86 2.867370745e+01 2.867370745e+01 1.88 2.618802254e+01 2.618802254e+01 1.90 2.388419386e+01 2.388419386e+01 1.92 2.174919477e+01 2.174919477e+01 1.94 1.977103366e+01 1.977103366e+01 1.96 1.793865167e+01 1.793865167e+01 1.98 1.624182093e+01 1.624182093e+01 2.00 1.467105419e+01 1.467105419e+01 2.02 1.321752874e+01 1.321752874e+01 2.04 1.187302431e+01 1.187302431e+01 2.06 1.062987177e+01 1.062987177e+01 2.08 9.480909296e+00 9.480909296e+00 2.10 8.419445607e+00 8.419445607e+00 2.12 7.439232543e+00 7.439232543e+00 2.14 6.534445229e+00 6.534445229e+00 2.16 5.699667830e+00 5.699667830e+00 2.18 4.929879759e+00 4.929879759e+00 2.20 4.220441663e+00 4.220441663e+00 2.22 3.567077906e+00 3.567077906e+00 2.24 2.965856981e+00 2.965856981e+00 2.26 2.413168490e+00 2.413168490e+00 2.28 1.905695682e+00 1.905695682e+00 2.30 1.440384913e+00 1.440384913e+00 2.32 1.014409901e+00 1.014409901e+00 2.34 6.251375464e-01 6.251375464e-01 2.36 2.700944106e-01 2.700944106e-01 2.38 -5.305960195e-02 -5.305960195e-02 2.40 -3.465500234e-01 -3.465500234e-01 2.42 -6.124999699e-01 -6.124999699e-01 2.44 -8.529368526e-01 -8.529368526e-01 2.46 -1.069797164e+00 -1.069797164e+00 2.48 -1.264928227e+00 -1.264928227e+00 2.50 -1.440086245e+00 -1.440086245e+00 2.52 -1.596930221e+00 -1.596930221e+00 2.54 -1.737135728e+00 -1.737135728e+00 2.56 -1.862431287e+00 -1.862431287e+00 2.58 -1.973973129e+00 -1.973973129e+00 2.60 -2.072815829e+00 -2.072815829e+00 2.62 -2.159947508e+00 -2.159947508e+00 2.64 -2.236288485e+00 -2.236288485e+00 2.66 -2.302685101e+00 -2.302685101e+00 2.68 -2.359904454e+00 -2.359904454e+00 2.70 -2.408645680e+00 -2.408645680e+00 2.72 -2.449568180e+00 -2.449568180e+00 2.74 -2.483278121e+00 -2.483278121e+00 2.76 -2.510475705e+00 -2.510475705e+00 2.78 -2.531492798e+00 -2.531492798e+00 2.80 -2.546579175e+00 -2.546579175e+00 2.82 -2.556000810e+00 -2.556000810e+00 2.84 -2.560043121e+00 -2.560043121e+00 2.86 -2.559012113e+00 -2.559012113e+00 2.88 -2.553234008e+00 -2.553234008e+00 2.90 -2.543052873e+00 -2.543052873e+00 2.92 -2.528831967e+00 -2.528831967e+00 2.94 -2.510952329e+00 -2.510952329e+00 2.96 -2.489791445e+00 -2.489791445e+00 2.98 -2.465714665e+00 -2.465714665e+00 3.00 -2.439070246e+00 -2.439070246e+00 3.02 -2.410186818e+00 -2.410186818e+00 3.04 -2.379372634e+00 -2.379372634e+00 3.06 -2.346916612e+00 -2.346916612e+00 3.08 -2.313086574e+00 -2.313086574e+00 3.10 -2.278128619e+00 -2.278128619e+00 3.12 -2.242264093e+00 -2.242264093e+00 3.14 -2.205687805e+00 -2.205687805e+00 3.16 -2.168574542e+00 -2.168574542e+00 3.18 -2.131070209e+00 -2.131070209e+00 3.20 -2.093270730e+00 -2.093270730e+00 3.22 -2.055253967e+00 -2.055253967e+00 3.24 -2.017084670e+00 -2.017084670e+00 3.26 -1.978818882e+00 -1.978818882e+00 3.28 -1.940507744e+00 -1.940507744e+00 3.30 -1.902200293e+00 -1.902200293e+00 3.32 -1.863944804e+00 -1.863944804e+00 3.34 -1.825777221e+00 -1.825777221e+00 3.36 -1.787717096e+00 -1.787717096e+00 3.38 -1.749788349e+00 -1.749788349e+00 3.40 -1.712019447e+00 -1.712019447e+00 3.42 -1.674442171e+00 -1.674442171e+00 3.44 -1.637090200e+00 -1.637090200e+00 3.46 -1.599998287e+00 -1.599998287e+00 3.48 -1.563201314e+00 -1.563201314e+00 3.50 -1.526733476e+00 -1.526733476e+00 3.52 -1.490627508e+00 -1.490627508e+00 3.54 -1.454913980e+00 -1.454913980e+00 3.56 -1.419620675e+00 -1.419620675e+00 3.58 -1.384772075e+00 -1.384772075e+00 3.60 -1.350388957e+00 -1.350388957e+00 3.62 -1.316488130e+00 -1.316488130e+00 3.64 -1.283082288e+00 -1.283082288e+00 3.66 -1.250180013e+00 -1.250180013e+00 3.68 -1.217785907e+00 -1.217785907e+00 3.70 -1.185900870e+00 -1.185900870e+00 3.72 -1.154522500e+00 -1.154522500e+00 3.74 -1.123645622e+00 -1.123645622e+00 3.76 -1.093262905e+00 -1.093262905e+00 3.78 -1.063365544e+00 -1.063365544e+00 3.80 -1.033943941e+00 -1.033943941e+00 3.82 -1.004988342e+00 -1.004988342e+00 3.84 -9.764893718e-01 -9.764893718e-01 3.86 -9.484384210e-01 -9.484384210e-01 3.88 -9.208278753e-01 -9.208278753e-01 3.90 -8.936512063e-01 -8.936512063e-01 3.92 -8.669028806e-01 -8.669028806e-01 3.94 -8.405787249e-01 -8.405787249e-01 3.96 -8.146753478e-01 -8.146753478e-01 3.98 -7.891907034e-01 -7.891907034e-01 4.00 -7.641242216e-01 -7.641242216e-01 4.02 -7.394771424e-01 -7.394771424e-01 4.04 -7.152528768e-01 -7.152528768e-01 4.06 -6.914573104e-01 -6.914573104e-01 4.08 -6.680989602e-01 -6.680989602e-01 4.10 -6.451886302e-01 -6.451886302e-01 4.12 -6.227402849e-01 -6.227402849e-01 4.14 -6.007685954e-01 -6.007685954e-01 4.16 -5.792895151e-01 -5.792895151e-01 4.18 -5.583190729e-01 -5.583190729e-01 4.20 -5.378725443e-01 -5.378725443e-01 4.22 -5.179637469e-01 -5.179637469e-01 4.24 -4.986045218e-01 -4.986045218e-01 4.26 -4.798044105e-01 -4.798044105e-01 4.28 -4.615704816e-01 -4.615704816e-01 4.30 -4.439072328e-01 -4.439072328e-01 4.32 -4.268164846e-01 -4.268164846e-01 4.34 -4.102972105e-01 -4.102972105e-01 4.36 -3.943452888e-01 -3.943452888e-01 4.38 -3.789532095e-01 -3.789532095e-01 4.40 -3.641098042e-01 -3.641098042e-01 4.42 -3.498000807e-01 -3.498000807e-01 4.44 -3.360052367e-01 -3.360052367e-01 4.46 -3.227028957e-01 -3.227028957e-01 4.48 -3.098675743e-01 -3.098675743e-01 4.50 -2.974713551e-01 -2.974713551e-01 4.52 -2.854847136e-01 -2.854847136e-01 4.54 -2.738774345e-01 -2.738774345e-01 4.56 -2.626195553e-01 -2.626195553e-01 4.58 -2.516822765e-01 -2.516822765e-01 4.60 -2.410387969e-01 -2.410387969e-01 4.62 -2.306650349e-01 -2.306650349e-01 4.64 -2.205402120e-01 -2.205402120e-01 4.66 -2.106472770e-01 -2.106472770e-01 4.68 -2.009731558e-01 -2.009731558e-01 4.70 -1.915088183e-01 -1.915088183e-01 4.72 -1.822491599e-01 -1.822491599e-01 4.74 -1.731927089e-01 -1.731927089e-01 4.76 -1.643411840e-01 -1.643411840e-01 4.78 -1.556989428e-01 -1.556989428e-01 4.80 -1.472721765e-01 -1.472721765e-01 4.82 -1.390691186e-01 -1.390691186e-01 4.84 -1.310982097e-01 -1.310982097e-01 4.86 -1.233685419e-01 -1.233685419e-01 4.88 -1.158892862e-01 -1.158892862e-01 4.90 -1.086694728e-01 -1.086694728e-01 4.92 -1.017178592e-01 -1.017178592e-01 4.94 -9.504284241e-02 -9.504284241e-02 4.96 -8.865236659e-02 -8.865236659e-02 4.98 -8.255378295e-02 -8.255378295e-02 5.00 -7.675363558e-02 -7.675363558e-02 5.02 -7.125736968e-02 -7.125736968e-02 5.04 -6.606898154e-02 -6.606898154e-02 5.06 -6.119064932e-02 -6.119064932e-02 5.08 -5.662239064e-02 -5.662239064e-02 5.10 -5.236179690e-02 -5.236179690e-02 5.12 -4.840387533e-02 -4.840387533e-02 5.14 -4.474104848e-02 -4.474104848e-02 5.16 -4.136328881e-02 -4.136328881e-02 5.18 -3.825837831e-02 -3.825837831e-02 5.20 -3.541194294e-02 -3.541194294e-02 5.22 -3.280801922e-02 -3.280801922e-02 5.24 -3.043075841e-02 -3.043075841e-02 5.26 -2.826363264e-02 -2.826363264e-02 5.28 -2.628981203e-02 -2.628981203e-02 5.30 -2.449269724e-02 -2.449269724e-02 5.32 -2.285626461e-02 -2.285626461e-02 5.34 -2.136527186e-02 -2.136527186e-02 5.36 -2.000545030e-02 -2.000545030e-02 5.38 -1.876359084e-02 -1.876359084e-02 5.40 -1.762764340e-02 -1.762764340e-02 5.42 -1.658676084e-02 -1.658676084e-02 5.44 -1.563121968e-02 -1.563121968e-02 5.46 -1.475235794e-02 -1.475235794e-02 5.48 -1.394249206e-02 -1.394249206e-02 5.50 -1.319482141e-02 -1.319482141e-02 5.52 -1.250332753e-02 -1.250332753e-02 5.54 -1.186267435e-02 -1.186267435e-02 5.56 -1.126811411e-02 -1.126811411e-02 5.58 -1.071540250e-02 -1.071540250e-02 5.60 -1.020072498e-02 -1.020072498e-02 5.62 -9.720635050e-03 -9.720635050e-03 5.64 -9.272003943e-03 -9.272003943e-03 5.66 -8.851980687e-03 -8.851980687e-03 5.68 -8.457960687e-03 -8.457960687e-03 5.70 -8.087561021e-03 -8.087561021e-03 5.72 -7.738600628e-03 -7.738600628e-03 5.74 -7.409083862e-03 -7.409083862e-03 5.76 -7.097186215e-03 -7.097186215e-03 5.78 -6.801241364e-03 -6.801241364e-03 5.80 -6.519729055e-03 -6.519729055e-03 5.82 -6.251263542e-03 -6.251263542e-03 5.84 -5.994582553e-03 -5.994582553e-03 5.86 -5.748536818e-03 -5.748536818e-03 5.88 -5.512080305e-03 -5.512080305e-03 5.90 -5.284261316e-03 -5.284261316e-03 5.92 -5.064214594e-03 -5.064214594e-03 5.94 -4.851154580e-03 -4.851154580e-03 5.96 -4.644369929e-03 -4.644369929e-03 5.98 -4.443219346e-03 -4.443219346e-03 6.00 -4.247128776e-03 -4.247128776e-03