# 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 = Ag2NiPd # 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 2.310573974e+02 2.310573974e+02 1.30 2.135685316e+02 2.135685316e+02 1.32 1.974005248e+02 1.974005248e+02 1.34 1.824481341e+02 1.824481341e+02 1.36 1.686140546e+02 1.686140546e+02 1.38 1.558080728e+02 1.558080728e+02 1.40 1.439469611e+02 1.439469611e+02 1.42 1.329547738e+02 1.329547738e+02 1.44 1.227629941e+02 1.227629941e+02 1.46 1.133100660e+02 1.133100660e+02 1.48 1.045403802e+02 1.045403802e+02 1.50 9.640311148e+01 9.640311148e+01 1.52 8.885125313e+01 8.885125313e+01 1.54 8.184099776e+01 8.184099776e+01 1.56 7.533140073e+01 7.533140073e+01 1.58 6.928421428e+01 6.928421428e+01 1.60 6.366388602e+01 6.366388602e+01 1.62 5.843795212e+01 5.843795212e+01 1.64 5.359038771e+01 5.359038771e+01 1.66 4.910285781e+01 4.910285781e+01 1.68 4.494928105e+01 4.494928105e+01 1.70 4.110565689e+01 4.110565689e+01 1.72 3.754981466e+01 3.754981466e+01 1.74 3.426103955e+01 3.426103955e+01 1.76 3.121983099e+01 3.121983099e+01 1.78 2.840779781e+01 2.840779781e+01 1.80 2.580768377e+01 2.580768377e+01 1.82 2.340346398e+01 2.340346398e+01 1.84 2.118040871e+01 2.118040871e+01 1.86 1.912504808e+01 1.912504808e+01 1.88 1.722505395e+01 1.722505395e+01 1.90 1.546909674e+01 1.546909674e+01 1.92 1.384671987e+01 1.384671987e+01 1.94 1.234824654e+01 1.234824654e+01 1.96 1.096471694e+01 1.096471694e+01 1.98 9.687843200e+00 9.687843200e+00 2.00 8.509965560e+00 8.509965560e+00 2.02 7.424000378e+00 7.424000378e+00 2.04 6.423382881e+00 6.423382881e+00 2.06 5.502013603e+00 5.502013603e+00 2.08 4.654214939e+00 4.654214939e+00 2.10 3.874699359e+00 3.874699359e+00 2.12 3.158547135e+00 3.158547135e+00 2.14 2.501189380e+00 2.501189380e+00 2.16 1.898392075e+00 1.898392075e+00 2.18 1.346238468e+00 1.346238468e+00 2.20 8.411090649e-01 8.411090649e-01 2.22 3.796592891e-01 3.796592891e-01 2.24 -4.120493187e-02 -4.120493187e-02 2.26 -4.243530883e-01 -4.243530883e-01 2.28 -7.724567507e-01 -7.724567507e-01 2.30 -1.088015911e+00 -1.088015911e+00 2.32 -1.373382860e+00 -1.373382860e+00 2.34 -1.630779673e+00 -1.630779673e+00 2.36 -1.862305594e+00 -1.862305594e+00 2.38 -2.069934522e+00 -2.069934522e+00 2.40 -2.255508555e+00 -2.255508555e+00 2.42 -2.420736106e+00 -2.420736106e+00 2.44 -2.567200350e+00 -2.567200350e+00 2.46 -2.696373889e+00 -2.696373889e+00 2.48 -2.809638526e+00 -2.809638526e+00 2.50 -2.908300196e+00 -2.908300196e+00 2.52 -2.993592893e+00 -2.993592893e+00 2.54 -3.066757865e+00 -3.066757865e+00 2.56 -3.129200878e+00 -3.129200878e+00 2.58 -3.181771762e+00 -3.181771762e+00 2.60 -3.225139539e+00 -3.225139539e+00 2.62 -3.259843015e+00 -3.259843015e+00 2.64 -3.286414106e+00 -3.286414106e+00 2.66 -3.305380659e+00 -3.305380659e+00 2.68 -3.317257391e+00 -3.317257391e+00 2.70 -3.322550654e+00 -3.322550654e+00 2.72 -3.321784373e+00 -3.321784373e+00 2.74 -3.315457687e+00 -3.315457687e+00 2.76 -3.304203188e+00 -3.304203188e+00 2.78 -3.288415027e+00 -3.288415027e+00 2.80 -3.268302999e+00 -3.268302999e+00 2.82 -3.244091719e+00 -3.244091719e+00 2.84 -3.216015893e+00 -3.216015893e+00 2.86 -3.184318990e+00 -3.184318990e+00 2.88 -3.149254144e+00 -3.149254144e+00 2.90 -3.111085280e+00 -3.111085280e+00 2.92 -3.070089970e+00 -3.070089970e+00 2.94 -3.026566195e+00 -3.026566195e+00 2.96 -2.980814098e+00 -2.980814098e+00 2.98 -2.933126615e+00 -2.933126615e+00 3.00 -2.883785354e+00 -2.883785354e+00 3.02 -2.833058345e+00 -2.833058345e+00 3.04 -2.781199480e+00 -2.781199480e+00 3.06 -2.728448562e+00 -2.728448562e+00 3.08 -2.675030703e+00 -2.675030703e+00 3.10 -2.621154434e+00 -2.621154434e+00 3.12 -2.567008779e+00 -2.567008779e+00 3.14 -2.512760277e+00 -2.512760277e+00 3.16 -2.458551058e+00 -2.458551058e+00 3.18 -2.404498748e+00 -2.404498748e+00 3.20 -2.350698281e+00 -2.350698281e+00 3.22 -2.297225178e+00 -2.297225178e+00 3.24 -2.244139567e+00 -2.244139567e+00 3.26 -2.191490258e+00 -2.191490258e+00 3.28 -2.139318352e+00 -2.139318352e+00 3.30 -2.087660131e+00 -2.087660131e+00 3.32 -2.036549146e+00 -2.036549146e+00 3.34 -1.986017535e+00 -1.986017535e+00 3.36 -1.936096690e+00 -1.936096690e+00 3.38 -1.886817387e+00 -1.886817387e+00 3.40 -1.838209522e+00 -1.838209522e+00 3.42 -1.790301592e+00 -1.790301592e+00 3.44 -1.743120029e+00 -1.743120029e+00 3.46 -1.696688534e+00 -1.696688534e+00 3.48 -1.651027478e+00 -1.651027478e+00 3.50 -1.606153437e+00 -1.606153437e+00 3.52 -1.562078908e+00 -1.562078908e+00 3.54 -1.518812190e+00 -1.518812190e+00 3.56 -1.476357418e+00 -1.476357418e+00 3.58 -1.434714712e+00 -1.434714712e+00 3.60 -1.393880413e+00 -1.393880413e+00 3.62 -1.353847377e+00 -1.353847377e+00 3.64 -1.314605317e+00 -1.314605317e+00 3.66 -1.276141228e+00 -1.276141228e+00 3.68 -1.238439895e+00 -1.238439895e+00 3.70 -1.201484539e+00 -1.201484539e+00 3.72 -1.165257608e+00 -1.165257608e+00 3.74 -1.129741716e+00 -1.129741716e+00 3.76 -1.094920666e+00 -1.094920666e+00 3.78 -1.060780498e+00 -1.060780498e+00 3.80 -1.027310393e+00 -1.027310393e+00 3.82 -9.945033045e-01 -9.945033045e-01 3.84 -9.623561689e-01 -9.623561689e-01 3.86 -9.308695824e-01 -9.308695824e-01 3.88 -9.000469531e-01 -9.000469531e-01 3.90 -8.698932160e-01 -8.698932160e-01 3.92 -8.404133137e-01 -8.404133137e-01 3.94 -8.116107109e-01 -8.116107109e-01 3.96 -7.834861965e-01 -7.834861965e-01 3.98 -7.560371852e-01 -7.560371852e-01 4.00 -7.292575922e-01 -7.292575922e-01 4.02 -7.031382424e-01 -7.031382424e-01 4.04 -6.776676641e-01 -6.776676641e-01 4.06 -6.528330616e-01 -6.528330616e-01 4.08 -6.286212532e-01 -6.286212532e-01 4.10 -6.050194039e-01 -6.050194039e-01 4.12 -5.820154692e-01 -5.820154692e-01 4.14 -5.595983033e-01 -5.595983033e-01 4.16 -5.377575440e-01 -5.377575440e-01 4.18 -5.164833497e-01 -5.164833497e-01 4.20 -4.957661388e-01 -4.957661388e-01 4.22 -4.755964383e-01 -4.755964383e-01 4.24 -4.559649102e-01 -4.559649102e-01 4.26 -4.368625613e-01 -4.368625613e-01 4.28 -4.182810854e-01 -4.182810854e-01 4.30 -4.002132553e-01 -4.002132553e-01 4.32 -3.826532655e-01 -3.826532655e-01 4.34 -3.655969499e-01 -3.655969499e-01 4.36 -3.490418205e-01 -3.490418205e-01 4.38 -3.329869166e-01 -3.329869166e-01 4.40 -3.174324725e-01 -3.174324725e-01 4.42 -3.023794338e-01 -3.023794338e-01 4.44 -2.878288550e-01 -2.878288550e-01 4.46 -2.737812147e-01 -2.737812147e-01 4.48 -2.602356909e-01 -2.602356909e-01 4.50 -2.471894514e-01 -2.471894514e-01 4.52 -2.346370296e-01 -2.346370296e-01 4.54 -2.225698652e-01 -2.225698652e-01 4.56 -2.109760883e-01 -2.109760883e-01 4.58 -1.998406008e-01 -1.998406008e-01 4.60 -1.891454749e-01 -1.891454749e-01 4.62 -1.788706389e-01 -1.788706389e-01 4.64 -1.689947772e-01 -1.689947772e-01 4.66 -1.594963423e-01 -1.594963423e-01 4.68 -1.503545581e-01 -1.503545581e-01 4.70 -1.415503052e-01 -1.415503052e-01 4.72 -1.330667995e-01 -1.330667995e-01 4.74 -1.248900120e-01 -1.248900120e-01 4.76 -1.170088166e-01 -1.170088166e-01 4.78 -1.094148916e-01 -1.094148916e-01 4.80 -1.021024286e-01 -1.021024286e-01 4.82 -9.506772850e-02 -9.506772850e-02 4.84 -8.830874454e-02 -8.830874454e-02 4.86 -8.182466016e-02 -8.182466016e-02 4.88 -7.561552863e-02 -7.561552863e-02 4.90 -6.968200315e-02 -6.968200315e-02 4.92 -6.402514078e-02 -6.402514078e-02 4.94 -5.864623196e-02 -5.864623196e-02 4.96 -5.354624540e-02 -5.354624540e-02 4.98 -4.872670070e-02 -4.872670070e-02 5.00 -4.418897846e-02 -4.418897846e-02 5.02 -3.993375106e-02 -3.993375106e-02 5.04 -3.596070670e-02 -3.596070670e-02 5.06 -3.226824781e-02 -3.226824781e-02 5.08 -2.885320357e-02 -2.885320357e-02 5.10 -2.571060465e-02 -2.571060465e-02 5.12 -2.283355003e-02 -2.283355003e-02 5.14 -2.021318525e-02 -2.021318525e-02 5.16 -1.783880421e-02 -1.783880421e-02 5.18 -1.569805925e-02 -1.569805925e-02 5.20 -1.377714502e-02 -1.377714502e-02 5.22 -1.206119492e-02 -1.206119492e-02 5.24 -1.053507812e-02 -1.053507812e-02 5.26 -9.183343672e-03 -9.183343672e-03 5.28 -7.990561803e-03 -7.990561803e-03 5.30 -6.941636471e-03 -6.941636471e-03 5.32 -6.022058094e-03 -6.022058094e-03 5.34 -5.218094377e-03 -5.218094377e-03 5.36 -4.516922235e-03 -4.516922235e-03 5.38 -3.906707121e-03 -3.906707121e-03 5.40 -3.376637854e-03 -3.376637854e-03 5.42 -2.916925671e-03 -2.916925671e-03 5.44 -2.518775956e-03 -2.518775956e-03 5.46 -2.174340320e-03 -2.174340320e-03 5.48 -1.876655616e-03 -1.876655616e-03 5.50 -1.619575267e-03 -1.619575267e-03 5.52 -1.397697174e-03 -1.397697174e-03 5.54 -1.206291372e-03 -1.206291372e-03 5.56 -1.041229763e-03 -1.041229763e-03 5.58 -8.989194588e-04 -8.989194588e-04 5.60 -7.762407242e-04 -7.762407242e-04 5.62 -6.704900446e-04 -6.704900446e-04 5.64 -5.793284987e-04 -5.793284987e-04 5.66 -5.007354000e-04 -5.007354000e-04 5.68 -4.329669942e-04 -4.329669942e-04 5.70 -3.745199055e-04 -3.745199055e-04 5.72 -3.240989610e-04 -3.240989610e-04 5.74 -2.805890016e-04 -2.805890016e-04 5.76 -2.430302771e-04 -2.430302771e-04 5.78 -2.105970424e-04 -2.105970424e-04 5.80 -1.825789868e-04 -1.825789868e-04 5.82 -1.583651578e-04 -1.583651578e-04 5.84 -1.374300714e-04 -1.374300714e-04 5.86 -1.193217298e-04 -1.193217298e-04 5.88 -1.036512970e-04 -1.036512970e-04 5.90 -9.008421360e-05 -9.008421360e-05 5.92 -7.833255530e-05 -7.833255530e-05 5.94 -6.814846572e-05 -6.814846572e-05 5.96 -5.931851549e-05 -5.931851549e-05 5.98 -5.165885854e-05 -5.165885854e-05 6.00 -4.501107394e-05 -4.501107394e-05