# 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 = Ag2AuNi # 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 5.543698145e+02 5.543698145e+02 1.00 5.073639074e+02 5.073639074e+02 1.02 4.649665500e+02 4.649665500e+02 1.04 4.266671135e+02 4.266671135e+02 1.06 3.920162244e+02 3.920162244e+02 1.08 3.606180732e+02 3.606180732e+02 1.10 3.321217175e+02 3.321217175e+02 1.12 3.062186303e+02 3.062186303e+02 1.14 2.826364182e+02 2.826364182e+02 1.16 2.611353231e+02 2.611353231e+02 1.18 2.414973904e+02 2.414973904e+02 1.20 2.235343484e+02 2.235343484e+02 1.22 2.070780302e+02 2.070780302e+02 1.24 1.919789440e+02 1.919789440e+02 1.26 1.781031454e+02 1.781031454e+02 1.28 1.653315223e+02 1.653315223e+02 1.30 1.535593035e+02 1.535593035e+02 1.32 1.426932903e+02 1.426932903e+02 1.34 1.326493680e+02 1.326493680e+02 1.36 1.233532830e+02 1.233532830e+02 1.38 1.147396594e+02 1.147396594e+02 1.40 1.067496030e+02 1.067496030e+02 1.42 9.932805131e+01 9.932805131e+01 1.44 9.242842717e+01 9.242842717e+01 1.46 8.600808107e+01 8.600808107e+01 1.48 8.002798297e+01 8.002798297e+01 1.50 7.445413927e+01 7.445413927e+01 1.52 6.925565473e+01 6.925565473e+01 1.54 6.440382868e+01 6.440382868e+01 1.56 5.987329034e+01 5.987329034e+01 1.58 5.564067630e+01 5.564067630e+01 1.60 5.168472286e+01 5.168472286e+01 1.62 4.798414899e+01 4.798414899e+01 1.64 4.452265324e+01 4.452265324e+01 1.66 4.128461018e+01 4.128461018e+01 1.68 3.825526408e+01 3.825526408e+01 1.70 3.542064884e+01 3.542064884e+01 1.72 3.276720798e+01 3.276720798e+01 1.74 3.028436059e+01 3.028436059e+01 1.76 2.796119733e+01 2.796119733e+01 1.78 2.578760323e+01 2.578760323e+01 1.80 2.375418071e+01 2.375418071e+01 1.82 2.185218412e+01 2.185218412e+01 1.84 2.007346152e+01 2.007346152e+01 1.86 1.841014768e+01 1.841014768e+01 1.88 1.682299211e+01 1.682299211e+01 1.90 1.534701773e+01 1.534701773e+01 1.92 1.397002897e+01 1.397002897e+01 1.94 1.267158191e+01 1.267158191e+01 1.96 1.144860559e+01 1.144860559e+01 1.98 1.029758304e+01 1.029758304e+01 2.00 9.215544398e+00 9.215544398e+00 2.02 8.199411823e+00 8.199411823e+00 2.04 7.246176783e+00 7.246176783e+00 2.06 6.352926560e+00 6.352926560e+00 2.08 5.516832129e+00 5.516832129e+00 2.10 4.735028358e+00 4.735028358e+00 2.12 4.005075418e+00 4.005075418e+00 2.14 3.324436833e+00 3.324436833e+00 2.16 2.690454690e+00 2.690454690e+00 2.18 2.100934054e+00 2.100934054e+00 2.20 1.554245116e+00 1.554245116e+00 2.22 1.047385078e+00 1.047385078e+00 2.24 5.784402243e-01 5.784402243e-01 2.26 1.454899347e-01 1.454899347e-01 2.28 -2.533949612e-01 -2.533949612e-01 2.30 -6.200669807e-01 -6.200669807e-01 2.32 -9.563045612e-01 -9.563045612e-01 2.34 -1.263814557e+00 -1.263814557e+00 2.36 -1.544167733e+00 -1.544167733e+00 2.38 -1.798883233e+00 -1.798883233e+00 2.40 -2.029609882e+00 -2.029609882e+00 2.42 -2.237892751e+00 -2.237892751e+00 2.44 -2.425002537e+00 -2.425002537e+00 2.46 -2.591949485e+00 -2.591949485e+00 2.48 -2.740327692e+00 -2.740327692e+00 2.50 -2.871344066e+00 -2.871344066e+00 2.52 -2.986495691e+00 -2.986495691e+00 2.54 -3.086670317e+00 -3.086670317e+00 2.56 -3.172731384e+00 -3.172731384e+00 2.58 -3.245675298e+00 -3.245675298e+00 2.60 -3.306448255e+00 -3.306448255e+00 2.62 -3.355947317e+00 -3.355947317e+00 2.64 -3.395019849e+00 -3.395019849e+00 2.66 -3.424384275e+00 -3.424384275e+00 2.68 -3.444893104e+00 -3.444893104e+00 2.70 -3.457213578e+00 -3.457213578e+00 2.72 -3.461994862e+00 -3.461994862e+00 2.74 -3.459934156e+00 -3.459934156e+00 2.76 -3.451623373e+00 -3.451623373e+00 2.78 -3.437645188e+00 -3.437645188e+00 2.80 -3.418568224e+00 -3.418568224e+00 2.82 -3.394786726e+00 -3.394786726e+00 2.84 -3.366480745e+00 -3.366480745e+00 2.86 -3.334119260e+00 -3.334119260e+00 2.88 -3.298346112e+00 -3.298346112e+00 2.90 -3.259558143e+00 -3.259558143e+00 2.92 -3.218425324e+00 -3.218425324e+00 2.94 -3.174872793e+00 -3.174872793e+00 2.96 -3.129456020e+00 -3.129456020e+00 2.98 -3.082155885e+00 -3.082155885e+00 3.00 -3.033222702e+00 -3.033222702e+00 3.02 -2.982887154e+00 -2.982887154e+00 3.04 -2.931365861e+00 -2.931365861e+00 3.06 -2.878784903e+00 -2.878784903e+00 3.08 -2.825085921e+00 -2.825085921e+00 3.10 -2.770610747e+00 -2.770610747e+00 3.12 -2.715671172e+00 -2.715671172e+00 3.14 -2.660404957e+00 -2.660404957e+00 3.16 -2.604938030e+00 -2.604938030e+00 3.18 -2.549385879e+00 -2.549385879e+00 3.20 -2.493853794e+00 -2.493853794e+00 3.22 -2.438437743e+00 -2.438437743e+00 3.24 -2.383225051e+00 -2.383225051e+00 3.26 -2.328295064e+00 -2.328295064e+00 3.28 -2.273719708e+00 -2.273719708e+00 3.30 -2.219563870e+00 -2.219563870e+00 3.32 -2.165886096e+00 -2.165886096e+00 3.34 -2.112739327e+00 -2.112739327e+00 3.36 -2.060170552e+00 -2.060170552e+00 3.38 -2.008221809e+00 -2.008221809e+00 3.40 -1.956952340e+00 -1.956952340e+00 3.42 -1.906658717e+00 -1.906658717e+00 3.44 -1.857092145e+00 -1.857092145e+00 3.46 -1.808256185e+00 -1.808256185e+00 3.48 -1.760029804e+00 -1.760029804e+00 3.50 -1.712458531e+00 -1.712458531e+00 3.52 -1.665690224e+00 -1.665690224e+00 3.54 -1.619747398e+00 -1.619747398e+00 3.56 -1.574624207e+00 -1.574624207e+00 3.58 -1.530327336e+00 -1.530327336e+00 3.60 -1.486865664e+00 -1.486865664e+00 3.62 -1.444256539e+00 -1.444256539e+00 3.64 -1.402497555e+00 -1.402497555e+00 3.66 -1.361566703e+00 -1.361566703e+00 3.68 -1.321453701e+00 -1.321453701e+00 3.70 -1.282154363e+00 -1.282154363e+00 3.72 -1.243667274e+00 -1.243667274e+00 3.74 -1.205999307e+00 -1.205999307e+00 3.76 -1.169157346e+00 -1.169157346e+00 3.78 -1.133135418e+00 -1.133135418e+00 3.80 -1.097901675e+00 -1.097901675e+00 3.82 -1.063455659e+00 -1.063455659e+00 3.84 -1.029805840e+00 -1.029805840e+00 3.86 -9.969735101e-01 -9.969735101e-01 3.88 -9.649035867e-01 -9.649035867e-01 3.90 -9.333986536e-01 -9.333986536e-01 3.92 -9.024631576e-01 -9.024631576e-01 3.94 -8.722488894e-01 -8.722488894e-01 3.96 -8.429441839e-01 -8.429441839e-01 3.98 -8.146859731e-01 -8.146859731e-01 4.00 -7.875767714e-01 -7.875767714e-01 4.02 -7.617395442e-01 -7.617395442e-01 4.04 -7.372716412e-01 -7.372716412e-01 4.06 -7.140476905e-01 -7.140476905e-01 4.08 -6.916009355e-01 -6.916009355e-01 4.10 -6.695072787e-01 -6.695072787e-01 4.12 -6.474695724e-01 -6.474695724e-01 4.14 -6.252929278e-01 -6.252929278e-01 4.16 -6.029245961e-01 -6.029245961e-01 4.18 -5.807160942e-01 -5.807160942e-01 4.20 -5.581859115e-01 -5.581859115e-01 4.22 -5.353635537e-01 -5.353635537e-01 4.24 -5.122688256e-01 -5.122688256e-01 4.26 -4.889568747e-01 -4.889568747e-01 4.28 -4.654454983e-01 -4.654454983e-01 4.30 -4.419093227e-01 -4.419093227e-01 4.32 -4.185952149e-01 -4.185952149e-01 4.34 -3.956986329e-01 -3.956986329e-01 4.36 -3.733686333e-01 -3.733686333e-01 4.38 -3.517161829e-01 -3.517161829e-01 4.40 -3.308211184e-01 -3.308211184e-01 4.42 -3.107379680e-01 -3.107379680e-01 4.44 -2.915008032e-01 -2.915008032e-01 4.46 -2.731272811e-01 -2.731272811e-01 4.48 -2.556220031e-01 -2.556220031e-01 4.50 -2.389792916e-01 -2.389792916e-01 4.52 -2.231854827e-01 -2.231854827e-01 4.54 -2.082208121e-01 -2.082208121e-01 4.56 -1.940609657e-01 -1.940609657e-01 4.58 -1.806783377e-01 -1.806783377e-01 4.60 -1.680430535e-01 -1.680430535e-01 4.62 -1.561237958e-01 -1.561237958e-01 4.64 -1.448884672e-01 -1.448884672e-01 4.66 -1.343047141e-01 -1.343047141e-01 4.68 -1.243403388e-01 -1.243403388e-01 4.70 -1.149636207e-01 -1.149636207e-01 4.72 -1.061435590e-01 -1.061435590e-01 4.74 -9.785005430e-02 -9.785005430e-02 4.76 -9.005404087e-02 -9.005404087e-02 4.78 -8.273160298e-02 -8.273160298e-02 4.80 -7.584844938e-02 -7.584844938e-02 4.82 -7.068058683e-02 -7.068058683e-02 4.84 -6.596343711e-02 -6.596343711e-02 4.86 -6.152421790e-02 -6.152421790e-02 4.88 -5.734713020e-02 -5.734713020e-02 4.90 -5.341713169e-02 -5.341713169e-02 4.92 -4.971998471e-02 -4.971998471e-02 4.94 -4.624222408e-02 -4.624222408e-02 4.96 -4.297112340e-02 -4.297112340e-02 4.98 -3.989466141e-02 -3.989466141e-02 5.00 -3.700148852e-02 -3.700148852e-02 5.02 -3.428089407e-02 -3.428089407e-02 5.04 -3.172277417e-02 -3.172277417e-02 5.06 -2.931760003e-02 -2.931760003e-02 5.08 -2.705638764e-02 -2.705638764e-02 5.10 -2.493066859e-02 -2.493066859e-02 5.12 -2.293246229e-02 -2.293246229e-02 5.14 -2.105424901e-02 -2.105424901e-02 5.16 -1.928894419e-02 -1.928894419e-02 5.18 -1.762987407e-02 -1.762987407e-02 5.20 -1.607075264e-02 -1.607075264e-02 5.22 -1.460565978e-02 -1.460565978e-02 5.24 -1.322902032e-02 -1.322902032e-02 5.26 -1.193558420e-02 -1.193558420e-02 5.28 -1.072040793e-02 -1.072040793e-02 5.30 -9.578837044e-03 -9.578837044e-03 5.32 -8.506489463e-03 -8.506489463e-03 5.34 -7.499239659e-03 -7.499239659e-03 5.36 -6.553203843e-03 -6.553203843e-03 5.38 -5.664726003e-03 -5.664726003e-03 5.40 -4.830364821e-03 -4.830364821e-03 5.42 -4.046881158e-03 -4.046881158e-03 5.44 -3.311226285e-03 -3.311226285e-03 5.46 -2.620530848e-03 -2.620530848e-03 5.48 -1.972094510e-03 -1.972094510e-03 5.50 -1.363376176e-03 -1.363376176e-03 5.52 -7.919846750e-04 -7.919846750e-04 5.54 -2.522295044e-04 -2.522295044e-04 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 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00