# 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 = AlNiPt2 # 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 2.373483389e+02 2.373483389e+02 1.30 2.209525360e+02 2.209525360e+02 1.32 2.056228547e+02 2.056228547e+02 1.34 1.912906724e+02 1.912906724e+02 1.36 1.778928175e+02 1.778928175e+02 1.38 1.653649629e+02 1.653649629e+02 1.40 1.536423812e+02 1.536423812e+02 1.42 1.426647991e+02 1.426647991e+02 1.44 1.323785657e+02 1.323785657e+02 1.46 1.227366308e+02 1.227366308e+02 1.48 1.136989902e+02 1.136989902e+02 1.50 1.052315493e+02 1.052315493e+02 1.52 9.730173116e+01 9.730173116e+01 1.54 8.987388151e+01 8.987388151e+01 1.56 8.290808991e+01 8.290808991e+01 1.58 7.636240624e+01 7.636240624e+01 1.60 7.019608959e+01 7.019608959e+01 1.62 6.437226671e+01 6.437226671e+01 1.64 5.885979083e+01 5.885979083e+01 1.66 5.363435976e+01 5.363435976e+01 1.68 4.867858288e+01 4.867858288e+01 1.70 4.398586993e+01 4.398586993e+01 1.72 3.964000087e+01 3.964000087e+01 1.74 3.565555889e+01 3.565555889e+01 1.76 3.200805723e+01 3.200805723e+01 1.78 2.867065729e+01 2.867065729e+01 1.80 2.561643135e+01 2.561643135e+01 1.82 2.281999172e+01 2.281999172e+01 1.84 2.025877622e+01 2.025877622e+01 1.86 1.791351653e+01 1.791351653e+01 1.88 1.576780337e+01 1.576780337e+01 1.90 1.380699498e+01 1.380699498e+01 1.92 1.201704311e+01 1.201704311e+01 1.94 1.038387132e+01 1.038387132e+01 1.96 8.893542354e+00 8.893542354e+00 1.98 7.532887765e+00 7.532887765e+00 2.00 6.290056100e+00 6.290056100e+00 2.02 5.154675590e+00 5.154675590e+00 2.04 4.117689501e+00 4.117689501e+00 2.06 3.171078541e+00 3.171078541e+00 2.08 2.307619381e+00 2.307619381e+00 2.10 1.520712764e+00 1.520712764e+00 2.12 8.042639088e-01 8.042639088e-01 2.14 1.526048346e-01 1.526048346e-01 2.16 -4.395393959e-01 -4.395393959e-01 2.18 -9.770449622e-01 -9.770449622e-01 2.20 -1.464363344e+00 -1.464363344e+00 2.22 -1.905499236e+00 -1.905499236e+00 2.24 -2.304008106e+00 -2.304008106e+00 2.26 -2.663017429e+00 -2.663017429e+00 2.28 -2.985268875e+00 -2.985268875e+00 2.30 -3.273177038e+00 -3.273177038e+00 2.32 -3.528899665e+00 -3.528899665e+00 2.34 -3.754411509e+00 -3.754411509e+00 2.36 -3.951572131e+00 -3.951572131e+00 2.38 -4.122179608e+00 -4.122179608e+00 2.40 -4.268007764e+00 -4.268007764e+00 2.42 -4.390829546e+00 -4.390829546e+00 2.44 -4.492430139e+00 -4.492430139e+00 2.46 -4.574986936e+00 -4.574986936e+00 2.48 -4.642568201e+00 -4.642568201e+00 2.50 -4.696711654e+00 -4.696711654e+00 2.52 -4.738547716e+00 -4.738547716e+00 2.54 -4.769287786e+00 -4.769287786e+00 2.56 -4.790167314e+00 -4.790167314e+00 2.58 -4.802382476e+00 -4.802382476e+00 2.60 -4.807031611e+00 -4.807031611e+00 2.62 -4.805071967e+00 -4.805071967e+00 2.64 -4.797297346e+00 -4.797297346e+00 2.66 -4.784333161e+00 -4.784333161e+00 2.68 -4.766649399e+00 -4.766649399e+00 2.70 -4.744584122e+00 -4.744584122e+00 2.72 -4.718370636e+00 -4.718370636e+00 2.74 -4.688164995e+00 -4.688164995e+00 2.76 -4.654069697e+00 -4.654069697e+00 2.78 -4.616151864e+00 -4.616151864e+00 2.80 -4.574503076e+00 -4.574503076e+00 2.82 -4.529633333e+00 -4.529633333e+00 2.84 -4.481500514e+00 -4.481500514e+00 2.86 -4.429931022e+00 -4.429931022e+00 2.88 -4.374843481e+00 -4.374843481e+00 2.90 -4.316263649e+00 -4.316263649e+00 2.92 -4.254338038e+00 -4.254338038e+00 2.94 -4.189340760e+00 -4.189340760e+00 2.96 -4.121667704e+00 -4.121667704e+00 2.98 -4.051814396e+00 -4.051814396e+00 3.00 -3.980340831e+00 -3.980340831e+00 3.02 -3.907830330e+00 -3.907830330e+00 3.04 -3.834832776e+00 -3.834832776e+00 3.06 -3.761821997e+00 -3.761821997e+00 3.08 -3.689171406e+00 -3.689171406e+00 3.10 -3.617146359e+00 -3.617146359e+00 3.12 -3.545910495e+00 -3.545910495e+00 3.14 -3.475541306e+00 -3.475541306e+00 3.16 -3.406049813e+00 -3.406049813e+00 3.18 -3.337400667e+00 -3.337400667e+00 3.20 -3.269530107e+00 -3.269530107e+00 3.22 -3.202360663e+00 -3.202360663e+00 3.24 -3.135812343e+00 -3.135812343e+00 3.26 -3.069810560e+00 -3.069810560e+00 3.28 -3.004291331e+00 -3.004291331e+00 3.30 -2.939204293e+00 -2.939204293e+00 3.32 -2.874514110e+00 -2.874514110e+00 3.34 -2.810223935e+00 -2.810223935e+00 3.36 -2.746409040e+00 -2.746409040e+00 3.38 -2.683151333e+00 -2.683151333e+00 3.40 -2.620527583e+00 -2.620527583e+00 3.42 -2.558609414e+00 -2.558609414e+00 3.44 -2.497462745e+00 -2.497462745e+00 3.46 -2.437147048e+00 -2.437147048e+00 3.48 -2.377714596e+00 -2.377714596e+00 3.50 -2.319209918e+00 -2.319209918e+00 3.52 -2.261669515e+00 -2.261669515e+00 3.54 -2.205121867e+00 -2.205121867e+00 3.56 -2.149587681e+00 -2.149587681e+00 3.58 -2.095080308e+00 -2.095080308e+00 3.60 -2.041606241e+00 -2.041606241e+00 3.62 -1.989165609e+00 -1.989165609e+00 3.64 -1.937752651e+00 -1.937752651e+00 3.66 -1.887356156e+00 -1.887356156e+00 3.68 -1.837959917e+00 -1.837959917e+00 3.70 -1.789543273e+00 -1.789543273e+00 3.72 -1.742081787e+00 -1.742081787e+00 3.74 -1.695548122e+00 -1.695548122e+00 3.76 -1.649913110e+00 -1.649913110e+00 3.78 -1.605146942e+00 -1.605146942e+00 3.80 -1.561220389e+00 -1.561220389e+00 3.82 -1.518105882e+00 -1.518105882e+00 3.84 -1.475778298e+00 -1.475778298e+00 3.86 -1.434215314e+00 -1.434215314e+00 3.88 -1.393397288e+00 -1.393397288e+00 3.90 -1.353306707e+00 -1.353306707e+00 3.92 -1.313927364e+00 -1.313927364e+00 3.94 -1.275243532e+00 -1.275243532e+00 3.96 -1.237239322e+00 -1.237239322e+00 3.98 -1.199898528e+00 -1.199898528e+00 4.00 -1.163205020e+00 -1.163205020e+00 4.02 -1.127143692e+00 -1.127143692e+00 4.04 -1.091701832e+00 -1.091701832e+00 4.06 -1.056870719e+00 -1.056870719e+00 4.08 -1.022647166e+00 -1.022647166e+00 4.10 -9.890347422e-01 -9.890347422e-01 4.12 -9.560445181e-01 -9.560445181e-01 4.14 -9.236949711e-01 -9.236949711e-01 4.16 -8.920112447e-01 -8.920112447e-01 4.18 -8.610235960e-01 -8.610235960e-01 4.20 -8.307652667e-01 -8.307652667e-01 4.22 -8.012700049e-01 -8.012700049e-01 4.24 -7.725695260e-01 -7.725695260e-01 4.26 -7.446911888e-01 -7.446911888e-01 4.28 -7.176560969e-01 -7.176560969e-01 4.30 -6.914777330e-01 -6.914777330e-01 4.32 -6.661611334e-01 -6.661611334e-01 4.34 -6.417025290e-01 -6.417025290e-01 4.36 -6.180893482e-01 -6.180893482e-01 4.38 -5.953004762e-01 -5.953004762e-01 4.40 -5.733066940e-01 -5.733066940e-01 4.42 -5.520712521e-01 -5.520712521e-01 4.44 -5.315505579e-01 -5.315505579e-01 4.46 -5.116949684e-01 -5.116949684e-01 4.48 -4.924496848e-01 -4.924496848e-01 4.50 -4.737557476e-01 -4.737557476e-01 4.52 -4.555511355e-01 -4.555511355e-01 4.54 -4.377719744e-01 -4.377719744e-01 4.56 -4.203538706e-01 -4.203538706e-01 4.58 -4.032333794e-01 -4.032333794e-01 4.60 -3.863496182e-01 -3.863496182e-01 4.62 -3.696460179e-01 -3.696460179e-01 4.64 -3.530721924e-01 -3.530721924e-01 4.66 -3.365858799e-01 -3.365858799e-01 4.68 -3.201548856e-01 -3.201548856e-01 4.70 -3.037589243e-01 -3.037589243e-01 4.72 -2.873912342e-01 -2.873912342e-01 4.74 -2.710598077e-01 -2.710598077e-01 4.76 -2.547880725e-01 -2.547880725e-01 4.78 -2.386148611e-01 -2.386148611e-01 4.80 -2.225935333e-01 -2.225935333e-01 4.82 -2.067902179e-01 -2.067902179e-01 4.84 -1.912810902e-01 -1.912810902e-01 4.86 -1.761489390e-01 -1.761489390e-01 4.88 -1.614791391e-01 -1.614791391e-01 4.90 -1.473553774e-01 -1.473553774e-01 4.92 -1.338554776e-01 -1.338554776e-01 4.94 -1.210476712e-01 -1.210476712e-01 4.96 -1.089876139e-01 -1.089876139e-01 4.98 -9.771634772e-02 -9.771634772e-02 5.00 -8.725929940e-02 -8.725929940e-02 5.02 -7.762628542e-02 -7.762628542e-02 5.04 -6.881239814e-02 -6.881239814e-02 5.06 -6.079958040e-02 -6.079958040e-02 5.08 -5.355866431e-02 -5.355866431e-02 5.10 -4.705165057e-02 -4.705165057e-02 5.12 -4.123403092e-02 -4.123403092e-02 5.14 -3.605700436e-02 -3.605700436e-02 5.16 -3.146944991e-02 -3.146944991e-02 5.18 -2.741962809e-02 -2.741962809e-02 5.20 -2.385655899e-02 -2.385655899e-02 5.22 -2.073108129e-02 -2.073108129e-02 5.24 -1.799662099e-02 -1.799662099e-02 5.26 -1.560964149e-02 -1.560964149e-02 5.28 -1.353081484e-02 -1.353081484e-02 5.30 -1.172352527e-02 -1.172352527e-02 5.32 -1.015421190e-02 -1.015421190e-02 5.34 -8.792928226e-03 -8.792928226e-03 5.36 -7.613096444e-03 -7.613096444e-03 5.38 -6.591235317e-03 -6.591235317e-03 5.40 -5.706679425e-03 -5.706679425e-03 5.42 -4.941301814e-03 -4.941301814e-03 5.44 -4.279247709e-03 -4.279247709e-03 5.46 -3.706684021e-03 -3.706684021e-03 5.48 -3.211567345e-03 -3.211567345e-03 5.50 -2.783431679e-03 -2.783431679e-03 5.52 -2.413196085e-03 -2.413196085e-03 5.54 -2.092991864e-03 -2.092991864e-03 5.56 -1.816008308e-03 -1.816008308e-03 5.58 -1.576355860e-03 -1.576355860e-03 5.60 -1.368945303e-03 -1.368945303e-03 5.62 -1.189381578e-03 -1.189381578e-03 5.64 -1.033870797e-03 -1.033870797e-03 5.66 -8.991390551e-04 -8.991390551e-04 5.68 -7.823617593e-04 -7.823617593e-04 5.70 -6.811022313e-04 -6.811022313e-04 5.72 -5.932584834e-04 -5.932584834e-04 5.74 -5.170171501e-04 -5.170171501e-04 5.76 -4.508136677e-04 -4.508136677e-04 5.78 -3.932978942e-04 -3.932978942e-04 5.80 -3.433044521e-04 -3.433044521e-04 5.82 -2.998271642e-04 -2.998271642e-04 5.84 -2.619970304e-04 -2.619970304e-04 5.86 -2.290632617e-04 -2.290632617e-04 5.88 -2.003769528e-04 -2.003769528e-04 5.90 -1.753770280e-04 -1.753770280e-04 5.92 -1.535781462e-04 -1.535781462e-04 5.94 -1.345602900e-04 -1.345602900e-04 5.96 -1.179598054e-04 -1.179598054e-04 5.98 -1.034616881e-04 -1.034616881e-04 6.00 -9.079294261e-05 -9.079294261e-05