# 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 = FePtTa2 # 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 3.777715711e+02 3.777715711e+02 1.30 3.507043745e+02 3.507043745e+02 1.32 3.256334725e+02 3.256334725e+02 1.34 3.024112822e+02 3.024112822e+02 1.36 2.808906209e+02 2.808906209e+02 1.38 2.609255104e+02 2.609255104e+02 1.40 2.423750958e+02 2.423750958e+02 1.42 2.251091919e+02 2.251091919e+02 1.44 2.090130370e+02 2.090130370e+02 1.46 1.939896039e+02 1.939896039e+02 1.48 1.799590699e+02 1.799590699e+02 1.50 1.668557875e+02 1.668557875e+02 1.52 1.546235676e+02 1.546235676e+02 1.54 1.432106658e+02 1.432106658e+02 1.56 1.325661209e+02 1.325661209e+02 1.58 1.226383453e+02 1.226383453e+02 1.60 1.133756857e+02 1.133756857e+02 1.62 1.047279881e+02 1.047279881e+02 1.64 9.664822775e+01 9.664822775e+01 1.66 8.909365130e+01 8.909365130e+01 1.68 8.202628422e+01 8.202628422e+01 1.70 7.541283279e+01 7.541283279e+01 1.72 6.922397614e+01 6.922397614e+01 1.74 6.343307351e+01 6.343307351e+01 1.76 5.801464132e+01 5.801464132e+01 1.78 5.294327176e+01 5.294327176e+01 1.80 4.819343945e+01 4.819343945e+01 1.82 4.374002643e+01 4.374002643e+01 1.84 3.955905304e+01 3.955905304e+01 1.86 3.563282318e+01 3.563282318e+01 1.88 3.194655206e+01 3.194655206e+01 1.90 2.848175476e+01 2.848175476e+01 1.92 2.523778598e+01 2.523778598e+01 1.94 2.224761976e+01 2.224761976e+01 1.96 1.949877211e+01 1.949877211e+01 1.98 1.697676744e+01 1.697676744e+01 2.00 1.466801098e+01 1.466801098e+01 2.02 1.255906723e+01 1.255906723e+01 2.04 1.063625466e+01 1.063625466e+01 2.06 8.885618155e+00 8.885618155e+00 2.08 7.293197729e+00 7.293197729e+00 2.10 5.845423510e+00 5.845423510e+00 2.12 4.529474557e+00 4.529474557e+00 2.14 3.333514335e+00 3.333514335e+00 2.16 2.246796007e+00 2.246796007e+00 2.18 1.259671186e+00 1.259671186e+00 2.20 3.635366186e-01 3.635366186e-01 2.22 -4.492600493e-01 -4.492600493e-01 2.24 -1.185542255e+00 -1.185542255e+00 2.26 -1.851441453e+00 -1.851441453e+00 2.28 -2.452534447e+00 -2.452534447e+00 2.30 -2.993966460e+00 -2.993966460e+00 2.32 -3.480547449e+00 -3.480547449e+00 2.34 -3.916813397e+00 -3.916813397e+00 2.36 -4.307050764e+00 -4.307050764e+00 2.38 -4.655289818e+00 -4.655289818e+00 2.40 -4.965279339e+00 -4.965279339e+00 2.42 -5.240458602e+00 -5.240458602e+00 2.44 -5.483941459e+00 -5.483941459e+00 2.46 -5.698522363e+00 -5.698522363e+00 2.48 -5.886706595e+00 -5.886706595e+00 2.50 -6.050758356e+00 -6.050758356e+00 2.52 -6.192753021e+00 -6.192753021e+00 2.54 -6.314502230e+00 -6.314502230e+00 2.56 -6.417717697e+00 -6.417717697e+00 2.58 -6.504295934e+00 -6.504295934e+00 2.60 -6.575925346e+00 -6.575925346e+00 2.62 -6.634068442e+00 -6.634068442e+00 2.64 -6.679966414e+00 -6.679966414e+00 2.66 -6.714658324e+00 -6.714658324e+00 2.68 -6.739009901e+00 -6.739009901e+00 2.70 -6.754144450e+00 -6.754144450e+00 2.72 -6.761121543e+00 -6.761121543e+00 2.74 -6.759817361e+00 -6.759817361e+00 2.76 -6.750136989e+00 -6.750136989e+00 2.78 -6.732034894e+00 -6.732034894e+00 2.80 -6.705508327e+00 -6.705508327e+00 2.82 -6.670596105e+00 -6.670596105e+00 2.84 -6.627381786e+00 -6.627381786e+00 2.86 -6.575999820e+00 -6.575999820e+00 2.88 -6.516643056e+00 -6.516643056e+00 2.90 -6.449569627e+00 -6.449569627e+00 2.92 -6.375107025e+00 -6.375107025e+00 2.94 -6.293650984e+00 -6.293650984e+00 2.96 -6.205657148e+00 -6.205657148e+00 2.98 -6.111624573e+00 -6.111624573e+00 3.00 -6.012072094e+00 -6.012072094e+00 3.02 -5.907510874e+00 -5.907510874e+00 3.04 -5.798418183e+00 -5.798418183e+00 3.06 -5.685217816e+00 -5.685217816e+00 3.08 -5.568273458e+00 -5.568273458e+00 3.10 -5.447884448e+00 -5.447884448e+00 3.12 -5.324301544e+00 -5.324301544e+00 3.14 -5.197750221e+00 -5.197750221e+00 3.16 -5.068455784e+00 -5.068455784e+00 3.18 -4.936669485e+00 -4.936669485e+00 3.20 -4.802692545e+00 -4.802692545e+00 3.22 -4.666895387e+00 -4.666895387e+00 3.24 -4.529729714e+00 -4.529729714e+00 3.26 -4.391723226e+00 -4.391723226e+00 3.28 -4.253416004e+00 -4.253416004e+00 3.30 -4.115387347e+00 -4.115387347e+00 3.32 -3.978262226e+00 -3.978262226e+00 3.34 -3.842675336e+00 -3.842675336e+00 3.36 -3.709232200e+00 -3.709232200e+00 3.38 -3.578471997e+00 -3.578471997e+00 3.40 -3.450836280e+00 -3.450836280e+00 3.42 -3.326646779e+00 -3.326646779e+00 3.44 -3.206093976e+00 -3.206093976e+00 3.46 -3.089236560e+00 -3.089236560e+00 3.48 -2.976010405e+00 -2.976010405e+00 3.50 -2.866244844e+00 -2.866244844e+00 3.52 -2.759690708e+00 -2.759690708e+00 3.54 -2.656113194e+00 -2.656113194e+00 3.56 -2.555282977e+00 -2.555282977e+00 3.58 -2.456951386e+00 -2.456951386e+00 3.60 -2.360871266e+00 -2.360871266e+00 3.62 -2.266815429e+00 -2.266815429e+00 3.64 -2.174591799e+00 -2.174591799e+00 3.66 -2.084055160e+00 -2.084055160e+00 3.68 -1.995115457e+00 -1.995115457e+00 3.70 -1.907742526e+00 -1.907742526e+00 3.72 -1.821967127e+00 -1.821967127e+00 3.74 -1.737878155e+00 -1.737878155e+00 3.76 -1.655616047e+00 -1.655616047e+00 3.78 -1.575362655e+00 -1.575362655e+00 3.80 -1.497328141e+00 -1.497328141e+00 3.82 -1.421735835e+00 -1.421735835e+00 3.84 -1.348806227e+00 -1.348806227e+00 3.86 -1.278741498e+00 -1.278741498e+00 3.88 -1.211711887e+00 -1.211711887e+00 3.90 -1.147845057e+00 -1.147845057e+00 3.92 -1.087219191e+00 -1.087219191e+00 3.94 -1.029860132e+00 -1.029860132e+00 3.96 -9.757424130e-01 -9.757424130e-01 3.98 -9.247936523e-01 -9.247936523e-01 4.00 -8.769015491e-01 -8.769015491e-01 4.02 -8.319225813e-01 -8.319225813e-01 4.04 -7.896915363e-01 -7.896915363e-01 4.06 -7.500310778e-01 -7.500310778e-01 4.08 -7.127606875e-01 -7.127606875e-01 4.10 -6.777044535e-01 -6.777044535e-01 4.12 -6.446973417e-01 -6.446973417e-01 4.14 -6.135896195e-01 -6.135896195e-01 4.16 -5.842493867e-01 -5.842493867e-01 4.18 -5.565631482e-01 -5.565631482e-01 4.20 -5.304346159e-01 -5.304346159e-01 4.22 -5.057820562e-01 -5.057820562e-01 4.24 -4.825346440e-01 -4.825346440e-01 4.26 -4.606283727e-01 -4.606283727e-01 4.28 -4.400020803e-01 -4.400020803e-01 4.30 -4.205940729e-01 -4.205940729e-01 4.32 -4.023396768e-01 -4.023396768e-01 4.34 -3.851698634e-01 -3.851698634e-01 4.36 -3.690109020e-01 -3.690109020e-01 4.38 -3.537848891e-01 -3.537848891e-01 4.40 -3.394108446e-01 -3.394108446e-01 4.42 -3.258061395e-01 -3.258061395e-01 4.44 -3.128881473e-01 -3.128881473e-01 4.46 -3.005760338e-01 -3.005760338e-01 4.48 -2.887903693e-01 -2.887903693e-01 4.50 -2.774553581e-01 -2.774553581e-01 4.52 -2.664996955e-01 -2.664996955e-01 4.54 -2.558570527e-01 -2.558570527e-01 4.56 -2.454664841e-01 -2.454664841e-01 4.58 -2.352726473e-01 -2.352726473e-01 4.60 -2.252261997e-01 -2.252261997e-01 4.62 -2.152850524e-01 -2.152850524e-01 4.64 -2.054140572e-01 -2.054140572e-01 4.66 -1.955856345e-01 -1.955856345e-01 4.68 -1.857804710e-01 -1.857804710e-01 4.70 -1.759881759e-01 -1.759881759e-01 4.72 -1.662078303e-01 -1.662078303e-01 4.74 -1.564483335e-01 -1.564483335e-01 4.76 -1.467284452e-01 -1.467284452e-01 4.78 -1.370764167e-01 -1.370764167e-01 4.80 -1.275291323e-01 -1.275291323e-01 4.82 -1.181307223e-01 -1.181307223e-01 4.84 -1.089306598e-01 -1.089306598e-01 4.86 -9.998143490e-02 -9.998143490e-02 4.88 -9.133595104e-02 -9.133595104e-02 4.90 -8.304484471e-02 -8.304484471e-02 4.92 -7.515395234e-02 -7.515395234e-02 4.94 -6.770213779e-02 -6.770213779e-02 4.96 -6.071965260e-02 -6.071965260e-02 4.98 -5.422713550e-02 -5.422713550e-02 5.00 -4.823528373e-02 -4.823528373e-02 5.02 -4.274513867e-02 -4.274513867e-02 5.04 -3.774890056e-02 -3.774890056e-02 5.06 -3.323113174e-02 -3.323113174e-02 5.08 -2.917018760e-02 -2.917018760e-02 5.10 -2.553972888e-02 -2.553972888e-02 5.12 -2.231018286e-02 -2.231018286e-02 5.14 -1.945009672e-02 -1.945009672e-02 5.16 -1.692724255e-02 -1.692724255e-02 5.18 -1.470930998e-02 -1.470930998e-02 5.20 -1.276565202e-02 -1.276565202e-02 5.22 -1.106714303e-02 -1.106714303e-02 5.24 -9.586445235e-03 -9.586445235e-03 5.26 -8.298277236e-03 -8.298277236e-03 5.28 -7.179543382e-03 -7.179543382e-03 5.30 -6.209357748e-03 -6.209357748e-03 5.32 -5.368992038e-03 -5.368992038e-03 5.34 -4.641771500e-03 -4.641771500e-03 5.36 -4.012938072e-03 -4.012938072e-03 5.38 -3.469495440e-03 -3.469495440e-03 5.40 -3.000046918e-03 -3.000046918e-03 5.42 -2.594633911e-03 -2.594633911e-03 5.44 -2.244580245e-03 -2.244580245e-03 5.46 -1.942345724e-03 -1.942345724e-03 5.48 -1.681390859e-03 -1.681390859e-03 5.50 -1.456053662e-03 -1.456053662e-03 5.52 -1.261438684e-03 -1.261438684e-03 5.54 -1.093317955e-03 -1.093317955e-03 5.56 -9.480432088e-04 -9.480432088e-04 5.58 -8.224685503e-04 -8.224685503e-04 5.60 -7.138826682e-04 -7.138826682e-04 5.62 -6.199496462e-04 -6.199496462e-04 5.64 -5.386574559e-04 -5.386574559e-04 5.66 -4.682732578e-04 -4.682732578e-04 5.68 -4.073046957e-04 -4.073046957e-04 5.70 -3.544664456e-04 -3.544664456e-04 5.72 -3.086513475e-04 -3.086513475e-04 5.74 -2.689055224e-04 -2.689055224e-04 5.76 -2.344069463e-04 -2.344069463e-04 5.78 -2.044470136e-04 -2.044470136e-04 5.80 -1.784146827e-04 -1.784146827e-04 5.82 -1.557828470e-04 -1.557828470e-04 5.84 -1.360966235e-04 -1.360966235e-04 5.86 -1.189632889e-04 -1.189632889e-04 5.88 -1.040436342e-04 -1.040436342e-04 5.90 -9.104453586e-05 -9.104453586e-05 5.92 -7.971257264e-05 -7.971257264e-05 5.94 -6.982853991e-05 -6.982853991e-05 5.96 -6.120273400e-05 -6.120273400e-05 5.98 -5.367089760e-05 -5.367089760e-05 6.00 -4.709073248e-05 -4.709073248e-05