# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2PdPt # 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 2022-05-24 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 6.274303080e+02 6.274303080e+02 0.98 5.707190906e+02 5.707190906e+02 1.00 5.194435182e+02 5.194435182e+02 1.02 4.730513448e+02 4.730513448e+02 1.04 4.310571644e+02 4.310571644e+02 1.06 3.930222526e+02 3.930222526e+02 1.08 3.585596051e+02 3.585596051e+02 1.10 3.273223746e+02 3.273223746e+02 1.12 2.989954127e+02 2.989954127e+02 1.14 2.732927427e+02 2.732927427e+02 1.16 2.499551033e+02 2.499551033e+02 1.18 2.287567005e+02 2.287567005e+02 1.20 2.094888516e+02 2.094888516e+02 1.22 1.919632187e+02 1.919632187e+02 1.24 1.760157475e+02 1.760157475e+02 1.26 1.614930591e+02 1.614930591e+02 1.28 1.482587672e+02 1.482587672e+02 1.30 1.361853782e+02 1.361853782e+02 1.32 1.251625334e+02 1.251625334e+02 1.34 1.150922505e+02 1.150922505e+02 1.36 1.058828467e+02 1.058828467e+02 1.38 9.745090894e+01 9.745090894e+01 1.40 8.972527246e+01 8.972527246e+01 1.42 8.263821604e+01 8.263821604e+01 1.44 7.612938448e+01 7.612938448e+01 1.46 7.014570527e+01 7.014570527e+01 1.48 6.464017067e+01 6.464017067e+01 1.50 5.956910894e+01 5.956910894e+01 1.52 5.489291785e+01 5.489291785e+01 1.54 5.057545538e+01 5.057545538e+01 1.56 4.658502529e+01 4.658502529e+01 1.58 4.289286881e+01 4.289286881e+01 1.60 3.947463250e+01 3.947463250e+01 1.62 3.630691814e+01 3.630691814e+01 1.64 3.336856162e+01 3.336856162e+01 1.66 3.064056095e+01 3.064056095e+01 1.68 2.810561421e+01 2.810561421e+01 1.70 2.574812899e+01 2.574812899e+01 1.72 2.355511703e+01 2.355511703e+01 1.74 2.151620059e+01 2.151620059e+01 1.76 1.961701140e+01 1.961701140e+01 1.78 1.785375796e+01 1.785375796e+01 1.80 1.621560806e+01 1.621560806e+01 1.82 1.469412268e+01 1.469412268e+01 1.84 1.325097501e+01 1.325097501e+01 1.86 1.192810956e+01 1.192810956e+01 1.88 1.068037581e+01 1.068037581e+01 1.90 9.503824491e+00 9.503824491e+00 1.92 8.394951033e+00 8.394951033e+00 1.94 7.349436516e+00 7.349436516e+00 1.96 6.366563757e+00 6.366563757e+00 1.98 5.443522654e+00 5.443522654e+00 2.00 4.577956419e+00 4.577956419e+00 2.02 3.767718367e+00 3.767718367e+00 2.04 3.010608407e+00 3.010608407e+00 2.06 2.304337761e+00 2.304337761e+00 2.08 1.646665957e+00 1.646665957e+00 2.10 1.035723940e+00 1.035723940e+00 2.12 4.689830112e-01 4.689830112e-01 2.14 -5.523629575e-02 -5.523629575e-02 2.16 -5.390652968e-01 -5.390652968e-01 2.18 -9.841952330e-01 -9.841952330e-01 2.20 -1.392323618e+00 -1.392323618e+00 2.22 -1.765530777e+00 -1.765530777e+00 2.24 -2.104277554e+00 -2.104277554e+00 2.26 -2.411766137e+00 -2.411766137e+00 2.28 -2.689971205e+00 -2.689971205e+00 2.30 -2.940606758e+00 -2.940606758e+00 2.32 -3.165375746e+00 -3.165375746e+00 2.34 -3.365562918e+00 -3.365562918e+00 2.36 -3.542624629e+00 -3.542624629e+00 2.38 -3.698193688e+00 -3.698193688e+00 2.40 -3.833654826e+00 -3.833654826e+00 2.42 -3.950333817e+00 -3.950333817e+00 2.44 -4.049497038e+00 -4.049497038e+00 2.46 -4.131897558e+00 -4.131897558e+00 2.48 -4.199015610e+00 -4.199015610e+00 2.50 -4.252244053e+00 -4.252244053e+00 2.52 -4.292472240e+00 -4.292472240e+00 2.54 -4.320695342e+00 -4.320695342e+00 2.56 -4.337848391e+00 -4.337848391e+00 2.58 -4.344775214e+00 -4.344775214e+00 2.60 -4.344192757e+00 -4.344192757e+00 2.62 -4.335489136e+00 -4.335489136e+00 2.64 -4.318734446e+00 -4.318734446e+00 2.66 -4.295024353e+00 -4.295024353e+00 2.68 -4.264995620e+00 -4.264995620e+00 2.70 -4.229052681e+00 -4.229052681e+00 2.72 -4.187770602e+00 -4.187770602e+00 2.74 -4.141688264e+00 -4.141688264e+00 2.76 -4.091312139e+00 -4.091312139e+00 2.78 -4.037512264e+00 -4.037512264e+00 2.80 -3.980554924e+00 -3.980554924e+00 2.82 -3.919808995e+00 -3.919808995e+00 2.84 -3.855665968e+00 -3.855665968e+00 2.86 -3.789348231e+00 -3.789348231e+00 2.88 -3.721158623e+00 -3.721158623e+00 2.90 -3.650972069e+00 -3.650972069e+00 2.92 -3.579181948e+00 -3.579181948e+00 2.94 -3.506414409e+00 -3.506414409e+00 2.96 -3.432883462e+00 -3.432883462e+00 2.98 -3.358798739e+00 -3.358798739e+00 3.00 -3.284375962e+00 -3.284375962e+00 3.02 -3.209158952e+00 -3.209158952e+00 3.04 -3.134207036e+00 -3.134207036e+00 3.06 -3.059933796e+00 -3.059933796e+00 3.08 -2.985936733e+00 -2.985936733e+00 3.10 -2.912347677e+00 -2.912347677e+00 3.12 -2.839278167e+00 -2.839278167e+00 3.14 -2.766828542e+00 -2.766828542e+00 3.16 -2.695088740e+00 -2.695088740e+00 3.18 -2.624139057e+00 -2.624139057e+00 3.20 -2.554050852e+00 -2.554050852e+00 3.22 -2.484887225e+00 -2.484887225e+00 3.24 -2.416698465e+00 -2.416698465e+00 3.26 -2.350152144e+00 -2.350152144e+00 3.28 -2.284861462e+00 -2.284861462e+00 3.30 -2.220630036e+00 -2.220630036e+00 3.32 -2.157491072e+00 -2.157491072e+00 3.34 -2.095472894e+00 -2.095472894e+00 3.36 -2.034597404e+00 -2.034597404e+00 3.38 -1.974883988e+00 -1.974883988e+00 3.40 -1.916367186e+00 -1.916367186e+00 3.42 -1.859017220e+00 -1.859017220e+00 3.44 -1.802797646e+00 -1.802797646e+00 3.46 -1.747644326e+00 -1.747644326e+00 3.48 -1.693470528e+00 -1.693470528e+00 3.50 -1.640368632e+00 -1.640368632e+00 3.52 -1.588498914e+00 -1.588498914e+00 3.54 -1.537880410e+00 -1.537880410e+00 3.56 -1.488428484e+00 -1.488428484e+00 3.58 -1.440077715e+00 -1.440077715e+00 3.60 -1.392820239e+00 -1.392820239e+00 3.62 -1.346671658e+00 -1.346671658e+00 3.64 -1.301628041e+00 -1.301628041e+00 3.66 -1.257668320e+00 -1.257668320e+00 3.68 -1.214800206e+00 -1.214800206e+00 3.70 -1.173040911e+00 -1.173040911e+00 3.72 -1.132399295e+00 -1.132399295e+00 3.74 -1.092857891e+00 -1.092857891e+00 3.76 -1.054392765e+00 -1.054392765e+00 3.78 -1.016976868e+00 -1.016976868e+00 3.80 -9.805914322e-01 -9.805914322e-01 3.82 -9.452089493e-01 -9.452089493e-01 3.84 -9.108128376e-01 -9.108128376e-01 3.86 -8.773780574e-01 -8.773780574e-01 3.88 -8.448889708e-01 -8.448889708e-01 3.90 -8.133373340e-01 -8.133373340e-01 3.92 -7.826734189e-01 -7.826734189e-01 3.94 -7.528429511e-01 -7.528429511e-01 3.96 -7.238404137e-01 -7.238404137e-01 3.98 -6.956367871e-01 -6.956367871e-01 4.00 -6.682815798e-01 -6.682815798e-01 4.02 -6.418120463e-01 -6.418120463e-01 4.04 -6.162527486e-01 -6.162527486e-01 4.06 -5.916407984e-01 -5.916407984e-01 4.08 -5.680262465e-01 -5.680262465e-01 4.10 -5.453109400e-01 -5.453109400e-01 4.12 -5.234493095e-01 -5.234493095e-01 4.14 -5.022636327e-01 -5.022636327e-01 4.16 -4.815963762e-01 -4.815963762e-01 4.18 -4.613316670e-01 -4.613316670e-01 4.20 -4.413872302e-01 -4.413872302e-01 4.22 -4.217076297e-01 -4.217076297e-01 4.24 -4.022586237e-01 -4.022586237e-01 4.26 -3.830222444e-01 -3.830222444e-01 4.28 -3.639514090e-01 -3.639514090e-01 4.30 -3.458257757e-01 -3.458257757e-01 4.32 -3.282612751e-01 -3.282612751e-01 4.34 -3.109662731e-01 -3.109662731e-01 4.36 -2.939800432e-01 -2.939800432e-01 4.38 -2.773820511e-01 -2.773820511e-01 4.40 -2.612365241e-01 -2.612365241e-01 4.42 -2.455913022e-01 -2.455913022e-01 4.44 -2.304805907e-01 -2.304805907e-01 4.46 -2.159273040e-01 -2.159273040e-01 4.48 -2.019450601e-01 -2.019450601e-01 4.50 -1.885398725e-01 -1.885398725e-01 4.52 -1.757115832e-01 -1.757115832e-01 4.54 -1.634550720e-01 -1.634550720e-01 4.56 -1.517612756e-01 -1.517612756e-01 4.58 -1.406198519e-01 -1.406198519e-01 4.60 -1.303922634e-01 -1.303922634e-01 4.62 -1.210264221e-01 -1.210264221e-01 4.64 -1.121162109e-01 -1.121162109e-01 4.66 -1.036453330e-01 -1.036453330e-01 4.68 -9.559704289e-02 -9.559704289e-02 4.70 -8.795437379e-02 -8.795437379e-02 4.72 -8.070032401e-02 -8.070032401e-02 4.74 -7.381800769e-02 -7.381800769e-02 4.76 -6.729077349e-02 -6.729077349e-02 4.78 -6.110229968e-02 -6.110229968e-02 4.80 -5.523666741e-02 -5.523666741e-02 4.82 -4.967841611e-02 -4.967841611e-02 4.84 -4.441258412e-02 -4.441258412e-02 4.86 -3.942473660e-02 -3.942473660e-02 4.88 -3.470098459e-02 -3.470098459e-02 4.90 -3.022799407e-02 -3.022799407e-02 4.92 -2.599234688e-02 -2.599234688e-02 4.94 -2.192281944e-02 -2.192281944e-02 4.96 -1.911924484e-02 -1.911924484e-02 4.98 -1.744889953e-02 -1.744889953e-02 5.00 -1.582835581e-02 -1.582835581e-02 5.02 -1.429739147e-02 -1.429739147e-02 5.04 -1.285150025e-02 -1.285150025e-02 5.06 -1.148610755e-02 -1.148610755e-02 5.08 -1.019686600e-02 -1.019686600e-02 5.10 -8.979647240e-03 -8.979647240e-03 5.12 -7.830533455e-03 -7.830533455e-03 5.14 -6.745808781e-03 -6.745808781e-03 5.16 -5.721950642e-03 -5.721950642e-03 5.18 -4.755621169e-03 -4.755621169e-03 5.20 -3.843658711e-03 -3.843658711e-03 5.22 -2.983069509e-03 -2.983069509e-03 5.24 -2.171019605e-03 -2.171019605e-03 5.26 -1.404826985e-03 -1.404826985e-03 5.28 -6.823952018e-04 -6.823952018e-04 5.30 -1.065954104e-15 -1.066011095e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 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