# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCu2Pd # 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 nan nan 0.98 3.727061757e+02 3.727061757e+02 1.00 3.421778709e+02 3.421778709e+02 1.02 3.145653961e+02 3.145653961e+02 1.04 2.895457008e+02 2.895457008e+02 1.06 2.668260859e+02 2.668260859e+02 1.08 2.461599385e+02 2.461599385e+02 1.10 2.273291822e+02 2.273291822e+02 1.12 2.101373612e+02 2.101373612e+02 1.14 1.944085726e+02 1.944085726e+02 1.16 1.799941276e+02 1.799941276e+02 1.18 1.667649499e+02 1.667649499e+02 1.20 1.546027351e+02 1.546027351e+02 1.22 1.434000432e+02 1.434000432e+02 1.24 1.330716617e+02 1.330716617e+02 1.26 1.235347596e+02 1.235347596e+02 1.28 1.147174709e+02 1.147174709e+02 1.30 1.065527412e+02 1.065527412e+02 1.32 9.898329265e+01 9.898329265e+01 1.34 9.196080043e+01 9.196080043e+01 1.36 8.543885855e+01 8.543885855e+01 1.38 7.937492633e+01 7.937492633e+01 1.40 7.373390679e+01 7.373390679e+01 1.42 6.848227811e+01 6.848227811e+01 1.44 6.358880141e+01 6.358880141e+01 1.46 5.902536258e+01 5.902536258e+01 1.48 5.476921024e+01 5.476921024e+01 1.50 5.079930400e+01 5.079930400e+01 1.52 4.709481212e+01 4.709481212e+01 1.54 4.363568861e+01 4.363568861e+01 1.56 4.040566198e+01 4.040566198e+01 1.58 3.738931025e+01 3.738931025e+01 1.60 3.457286850e+01 3.457286850e+01 1.62 3.194290117e+01 3.194290117e+01 1.64 2.948680272e+01 2.948680272e+01 1.66 2.719246457e+01 2.719246457e+01 1.68 2.504947725e+01 2.504947725e+01 1.70 2.304887639e+01 2.304887639e+01 1.72 2.116538309e+01 2.116538309e+01 1.74 1.942147878e+01 1.942147878e+01 1.76 1.779083452e+01 1.779083452e+01 1.78 1.626891586e+01 1.626891586e+01 1.80 1.484964903e+01 1.484964903e+01 1.82 1.352698869e+01 1.352698869e+01 1.84 1.226192569e+01 1.226192569e+01 1.86 1.109426433e+01 1.109426433e+01 1.88 9.991703927e+00 9.991703927e+00 1.90 8.951541132e+00 8.951541132e+00 1.92 7.971003275e+00 7.971003275e+00 1.94 7.046379085e+00 7.046379085e+00 1.96 6.177255861e+00 6.177255861e+00 1.98 5.360512912e+00 5.360512912e+00 2.00 4.594492161e+00 4.594492161e+00 2.02 3.877474998e+00 3.877474998e+00 2.04 3.207373743e+00 3.207373743e+00 2.06 2.581966815e+00 2.581966815e+00 2.08 1.999164275e+00 1.999164275e+00 2.10 1.457313448e+00 1.457313448e+00 2.12 9.542435159e-01 9.542435159e-01 2.14 4.882593449e-01 4.882593449e-01 2.16 5.729824880e-02 5.729824880e-02 2.18 -3.401536156e-01 -3.401536156e-01 2.20 -7.057732169e-01 -7.057732169e-01 2.22 -1.041311455e+00 -1.041311455e+00 2.24 -1.348366217e+00 -1.348366217e+00 2.26 -1.627119868e+00 -1.627119868e+00 2.28 -1.880485859e+00 -1.880485859e+00 2.30 -2.110105660e+00 -2.110105660e+00 2.32 -2.317404467e+00 -2.317404467e+00 2.34 -2.503666971e+00 -2.503666971e+00 2.36 -2.669947286e+00 -2.669947286e+00 2.38 -2.817623258e+00 -2.817623258e+00 2.40 -2.947939965e+00 -2.947939965e+00 2.42 -3.062043878e+00 -3.062043878e+00 2.44 -3.160988320e+00 -3.160988320e+00 2.46 -3.245793048e+00 -3.245793048e+00 2.48 -3.317315025e+00 -3.317315025e+00 2.50 -3.376463777e+00 -3.376463777e+00 2.52 -3.424269233e+00 -3.424269233e+00 2.54 -3.461572023e+00 -3.461572023e+00 2.56 -3.489159783e+00 -3.489159783e+00 2.58 -3.507715894e+00 -3.507715894e+00 2.60 -3.519349190e+00 -3.519349190e+00 2.62 -3.523662106e+00 -3.523662106e+00 2.64 -3.520757669e+00 -3.520757669e+00 2.66 -3.511488997e+00 -3.511488997e+00 2.68 -3.496404395e+00 -3.496404395e+00 2.70 -3.475962594e+00 -3.475962594e+00 2.72 -3.450655095e+00 -3.450655095e+00 2.74 -3.420943079e+00 -3.420943079e+00 2.76 -3.387256020e+00 -3.387256020e+00 2.78 -3.350224863e+00 -3.350224863e+00 2.80 -3.310148426e+00 -3.310148426e+00 2.82 -3.267202597e+00 -3.267202597e+00 2.84 -3.220571399e+00 -3.220571399e+00 2.86 -3.171352514e+00 -3.171352514e+00 2.88 -3.120265046e+00 -3.120265046e+00 2.90 -3.067581508e+00 -3.067581508e+00 2.92 -3.013614219e+00 -3.013614219e+00 2.94 -2.958496032e+00 -2.958496032e+00 2.96 -2.902430517e+00 -2.902430517e+00 2.98 -2.845649909e+00 -2.845649909e+00 3.00 -2.787777228e+00 -2.787777228e+00 3.02 -2.729209867e+00 -2.729209867e+00 3.04 -2.670783865e+00 -2.670783865e+00 3.06 -2.612680493e+00 -2.612680493e+00 3.08 -2.554509084e+00 -2.554509084e+00 3.10 -2.496442063e+00 -2.496442063e+00 3.12 -2.438578853e+00 -2.438578853e+00 3.14 -2.381011059e+00 -2.381011059e+00 3.16 -2.323821736e+00 -2.323821736e+00 3.18 -2.267085696e+00 -2.267085696e+00 3.20 -2.210870173e+00 -2.210870173e+00 3.22 -2.155235401e+00 -2.155235401e+00 3.24 -2.100229233e+00 -2.100229233e+00 3.26 -2.046203305e+00 -2.046203305e+00 3.28 -1.992986140e+00 -1.992986140e+00 3.30 -1.940509581e+00 -1.940509581e+00 3.32 -1.888806410e+00 -1.888806410e+00 3.34 -1.837904632e+00 -1.837904632e+00 3.36 -1.787827675e+00 -1.787827675e+00 3.38 -1.738618244e+00 -1.738618244e+00 3.40 -1.690254958e+00 -1.690254958e+00 3.42 -1.642757672e+00 -1.642757672e+00 3.44 -1.595985370e+00 -1.595985370e+00 3.46 -1.549862902e+00 -1.549862902e+00 3.48 -1.504547032e+00 -1.504547032e+00 3.50 -1.460194814e+00 -1.460194814e+00 3.52 -1.416795090e+00 -1.416795090e+00 3.54 -1.374314246e+00 -1.374314246e+00 3.56 -1.332750524e+00 -1.332750524e+00 3.58 -1.292107883e+00 -1.292107883e+00 3.60 -1.252353433e+00 -1.252353433e+00 3.62 -1.213442013e+00 -1.213442013e+00 3.64 -1.175351924e+00 -1.175351924e+00 3.66 -1.138104267e+00 -1.138104267e+00 3.68 -1.101726328e+00 -1.101726328e+00 3.70 -1.066243009e+00 -1.066243009e+00 3.72 -1.031648830e+00 -1.031648830e+00 3.74 -9.979116504e-01 -9.979116504e-01 3.76 -9.650130207e-01 -9.650130207e-01 3.78 -9.329422539e-01 -9.329422539e-01 3.80 -9.016892993e-01 -9.016892993e-01 3.82 -8.712171676e-01 -8.712171676e-01 3.84 -8.415124511e-01 -8.415124511e-01 3.86 -8.125769819e-01 -8.125769819e-01 3.88 -7.844128318e-01 -7.844128318e-01 3.90 -7.570133414e-01 -7.570133414e-01 3.92 -7.302469021e-01 -7.302469021e-01 3.94 -7.040267999e-01 -7.040267999e-01 3.96 -6.784687416e-01 -6.784687416e-01 3.98 -6.536623384e-01 -6.536623384e-01 4.00 -6.296732796e-01 -6.296732796e-01 4.02 -6.065473527e-01 -6.065473527e-01 4.04 -5.843161145e-01 -5.843161145e-01 4.06 -5.630843656e-01 -5.630843656e-01 4.08 -5.429057808e-01 -5.429057808e-01 4.10 -5.234681105e-01 -5.234681105e-01 4.12 -5.045096974e-01 -5.045096974e-01 4.14 -4.858378192e-01 -4.858378192e-01 4.16 -4.673154410e-01 -4.673154410e-01 4.18 -4.488501215e-01 -4.488501215e-01 4.20 -4.303847654e-01 -4.303847654e-01 4.22 -4.118899305e-01 -4.118899305e-01 4.24 -3.933574674e-01 -3.933574674e-01 4.26 -3.747949418e-01 -3.747949418e-01 4.28 -3.561701672e-01 -3.561701672e-01 4.30 -3.383153190e-01 -3.383153190e-01 4.32 -3.208932221e-01 -3.208932221e-01 4.34 -3.036633683e-01 -3.036633683e-01 4.36 -2.867488116e-01 -2.867488116e-01 4.38 -2.702382596e-01 -2.702382596e-01 4.40 -2.541989495e-01 -2.541989495e-01 4.42 -2.386803081e-01 -2.386803081e-01 4.44 -2.237170408e-01 -2.237170408e-01 4.46 -2.093317475e-01 -2.093317475e-01 4.48 -1.955371410e-01 -1.955371410e-01 4.50 -1.823379074e-01 -1.823379074e-01 4.52 -1.697322787e-01 -1.697322787e-01 4.54 -1.577133510e-01 -1.577133510e-01 4.56 -1.462700625e-01 -1.462700625e-01 4.58 -1.353778340e-01 -1.353778340e-01 4.60 -1.253196598e-01 -1.253196598e-01 4.62 -1.160460248e-01 -1.160460248e-01 4.64 -1.072353234e-01 -1.072353234e-01 4.66 -9.887901054e-02 -9.887901054e-02 4.68 -9.095801787e-02 -9.095801787e-02 4.70 -8.345323872e-02 -8.345323872e-02 4.72 -7.634574308e-02 -7.634574308e-02 4.74 -6.961691345e-02 -6.961691345e-02 4.76 -6.324855310e-02 -6.324855310e-02 4.78 -5.722296343e-02 -5.722296343e-02 4.80 -5.152129488e-02 -5.152129488e-02 4.82 -4.617927408e-02 -4.617927408e-02 4.84 -4.114657105e-02 -4.114657105e-02 4.86 -3.638672465e-02 -3.638672465e-02 4.88 -3.188549950e-02 -3.188549950e-02 4.90 -2.762928782e-02 -2.762928782e-02 4.92 -2.360445196e-02 -2.360445196e-02 4.94 -1.972124427e-02 -1.972124427e-02 4.96 -1.716478523e-02 -1.716478523e-02 4.98 -1.583552079e-02 -1.583552079e-02 5.00 -1.450813114e-02 -1.450813114e-02 5.02 -1.325452024e-02 -1.325452024e-02 5.04 -1.207119842e-02 -1.207119842e-02 5.06 -1.095430159e-02 -1.095430159e-02 5.08 -9.900169245e-03 -9.900169245e-03 5.10 -8.905335222e-03 -8.905335222e-03 5.12 -7.966518744e-03 -7.966518744e-03 5.14 -7.080615461e-03 -7.080615461e-03 5.16 -6.244688743e-03 -6.244688743e-03 5.18 -5.455961295e-03 -5.455961295e-03 5.20 -4.711807081e-03 -4.711807081e-03 5.22 -4.009743582e-03 -4.009743582e-03 5.24 -3.347424208e-03 -3.347424208e-03 5.26 -2.722621068e-03 -2.722621068e-03 5.28 -2.133894773e-03 -2.133894773e-03 5.30 -1.593502940e-03 -1.593502940e-03 5.32 -1.401731212e-03 -1.401731212e-03 5.34 -1.232114162e-03 -1.232114162e-03 5.36 -1.075471479e-03 -1.075471479e-03 5.38 -9.286203826e-04 -9.286203826e-04 5.40 -7.909630708e-04 -7.909630708e-04 5.42 -6.619373449e-04 -6.619373449e-04 5.44 -5.410145292e-04 -5.410145292e-04 5.46 -4.276975221e-04 -4.276975221e-04 5.48 -3.215189642e-04 -3.215189642e-04 5.50 -2.220395112e-04 -2.220395112e-04 5.52 -1.288461827e-04 -1.288461827e-04 5.54 -4.099235156e-05 -4.099235156e-05 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 0.000000000e+00 5.70 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