# 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 = Ag2AuPt # 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 3.291361696e+02 3.291361696e+02 1.30 3.057820264e+02 3.057820264e+02 1.32 2.840777665e+02 2.840777665e+02 1.34 2.638988883e+02 2.638988883e+02 1.36 2.451327710e+02 2.451327710e+02 1.38 2.276733935e+02 2.276733935e+02 1.40 2.114195236e+02 2.114195236e+02 1.42 1.962764825e+02 1.962764825e+02 1.44 1.821584990e+02 1.821584990e+02 1.46 1.689897702e+02 1.689897702e+02 1.48 1.567038343e+02 1.567038343e+02 1.50 1.452412335e+02 1.452412335e+02 1.52 1.345463396e+02 1.345463396e+02 1.54 1.245650423e+02 1.245650423e+02 1.56 1.152442721e+02 1.152442721e+02 1.58 1.065328540e+02 1.065328540e+02 1.60 9.838263596e+01 9.838263596e+01 1.62 9.074933337e+01 9.074933337e+01 1.64 8.359310556e+01 8.359310556e+01 1.66 7.687895501e+01 7.687895501e+01 1.68 7.057681333e+01 7.057681333e+01 1.70 6.466386133e+01 6.466386133e+01 1.72 5.915339577e+01 5.915339577e+01 1.74 5.406886371e+01 5.406886371e+01 1.76 4.938107684e+01 4.938107684e+01 1.78 4.505921141e+01 4.505921141e+01 1.80 4.107350244e+01 4.107350244e+01 1.82 3.739607177e+01 3.739607177e+01 1.84 3.400161017e+01 3.400161017e+01 1.86 3.086763083e+01 3.086763083e+01 1.88 2.797428519e+01 2.797428519e+01 1.90 2.530388214e+01 2.530388214e+01 1.92 2.284031551e+01 2.284031551e+01 1.94 2.056860377e+01 2.056860377e+01 1.96 1.847465573e+01 1.847465573e+01 1.98 1.654523275e+01 1.654523275e+01 2.00 1.476798517e+01 1.476798517e+01 2.02 1.313145749e+01 1.313145749e+01 2.04 1.162503786e+01 1.162503786e+01 2.06 1.023888344e+01 1.023888344e+01 2.08 8.963853590e+00 8.963853590e+00 2.10 7.791457573e+00 7.791457573e+00 2.12 6.713810741e+00 6.713810741e+00 2.14 5.723597505e+00 5.723597505e+00 2.16 4.814045254e+00 4.814045254e+00 2.18 3.978910442e+00 3.978910442e+00 2.20 3.212470814e+00 3.212470814e+00 2.22 2.509514375e+00 2.509514375e+00 2.24 1.865318305e+00 1.865318305e+00 2.26 1.275616185e+00 1.275616185e+00 2.28 7.365558076e-01 7.365558076e-01 2.30 2.446513575e-01 2.446513575e-01 2.32 -2.032665839e-01 -2.032665839e-01 2.34 -6.101004881e-01 -6.101004881e-01 2.36 -9.785328480e-01 -9.785328480e-01 2.38 -1.311069219e+00 -1.311069219e+00 2.40 -1.610076613e+00 -1.610076613e+00 2.42 -1.878061654e+00 -1.878061654e+00 2.44 -2.118475133e+00 -2.118475133e+00 2.46 -2.333247459e+00 -2.333247459e+00 2.48 -2.524084492e+00 -2.524084492e+00 2.50 -2.692727875e+00 -2.692727875e+00 2.52 -2.840941521e+00 -2.840941521e+00 2.54 -2.970486254e+00 -2.970486254e+00 2.56 -3.083083894e+00 -3.083083894e+00 2.58 -3.180376297e+00 -3.180376297e+00 2.60 -3.263887190e+00 -3.263887190e+00 2.62 -3.334993376e+00 -3.334993376e+00 2.64 -3.394908219e+00 -3.394908219e+00 2.66 -3.444676978e+00 -3.444676978e+00 2.68 -3.485182402e+00 -3.485182402e+00 2.70 -3.517187879e+00 -3.517187879e+00 2.72 -3.541343443e+00 -3.541343443e+00 2.74 -3.558085634e+00 -3.558085634e+00 2.76 -3.567784862e+00 -3.567784862e+00 2.78 -3.570770775e+00 -3.570770775e+00 2.80 -3.567347769e+00 -3.567347769e+00 2.82 -3.557807765e+00 -3.557807765e+00 2.84 -3.542441453e+00 -3.542441453e+00 2.86 -3.521549307e+00 -3.521549307e+00 2.88 -3.495450931e+00 -3.495450931e+00 2.90 -3.464494582e+00 -3.464494582e+00 2.92 -3.429072923e+00 -3.429072923e+00 2.94 -3.389734716e+00 -3.389734716e+00 2.96 -3.347028259e+00 -3.347028259e+00 2.98 -3.301337067e+00 -3.301337067e+00 3.00 -3.253093323e+00 -3.253093323e+00 3.02 -3.202750531e+00 -3.202750531e+00 3.04 -3.150753139e+00 -3.150753139e+00 3.06 -3.097510261e+00 -3.097510261e+00 3.08 -3.043376952e+00 -3.043376952e+00 3.10 -2.988644367e+00 -2.988644367e+00 3.12 -2.933540481e+00 -2.933540481e+00 3.14 -2.878241512e+00 -2.878241512e+00 3.16 -2.822872555e+00 -2.822872555e+00 3.18 -2.767561866e+00 -2.767561866e+00 3.20 -2.712437361e+00 -2.712437361e+00 3.22 -2.657581370e+00 -2.657581370e+00 3.24 -2.603044294e+00 -2.603044294e+00 3.26 -2.548857439e+00 -2.548857439e+00 3.28 -2.495042408e+00 -2.495042408e+00 3.30 -2.441617606e+00 -2.441617606e+00 3.32 -2.388602457e+00 -2.388602457e+00 3.34 -2.336019867e+00 -2.336019867e+00 3.36 -2.283897373e+00 -2.283897373e+00 3.38 -2.232267324e+00 -2.232267324e+00 3.40 -2.181166350e+00 -2.181166350e+00 3.42 -2.130634358e+00 -2.130634358e+00 3.44 -2.080713201e+00 -2.080713201e+00 3.46 -2.031445220e+00 -2.031445220e+00 3.48 -1.982871754e+00 -1.982871754e+00 3.50 -1.935031742e+00 -1.935031742e+00 3.52 -1.887960487e+00 -1.887960487e+00 3.54 -1.841688608e+00 -1.841688608e+00 3.56 -1.796241226e+00 -1.796241226e+00 3.58 -1.751637362e+00 -1.751637362e+00 3.60 -1.707889535e+00 -1.707889535e+00 3.62 -1.665003568e+00 -1.665003568e+00 3.64 -1.622978562e+00 -1.622978562e+00 3.66 -1.581807047e+00 -1.581807047e+00 3.68 -1.541475301e+00 -1.541475301e+00 3.70 -1.501963837e+00 -1.501963837e+00 3.72 -1.463248047e+00 -1.463248047e+00 3.74 -1.425298998e+00 -1.425298998e+00 3.76 -1.388084361e+00 -1.388084361e+00 3.78 -1.351569413e+00 -1.351569413e+00 3.80 -1.315718092e+00 -1.315718092e+00 3.82 -1.280494019e+00 -1.280494019e+00 3.84 -1.245861439e+00 -1.245861439e+00 3.86 -1.211786020e+00 -1.211786020e+00 3.88 -1.178235475e+00 -1.178235475e+00 3.90 -1.145179999e+00 -1.145179999e+00 3.92 -1.112592532e+00 -1.112592532e+00 3.94 -1.080448904e+00 -1.080448904e+00 3.96 -1.048727909e+00 -1.048727909e+00 3.98 -1.017411430e+00 -1.017411430e+00 4.00 -9.864846450e-01 -9.864846450e-01 4.02 -9.559364184e-01 -9.559364184e-01 4.04 -9.257598795e-01 -9.257598795e-01 4.06 -8.959531923e-01 -8.959531923e-01 4.08 -8.665204451e-01 -8.665204451e-01 4.10 -8.374725390e-01 -8.374725390e-01 4.12 -8.088279455e-01 -8.088279455e-01 4.14 -7.806130668e-01 -7.806130668e-01 4.16 -7.528621321e-01 -7.528621321e-01 4.18 -7.256164102e-01 -7.256164102e-01 4.20 -6.989227212e-01 -6.989227212e-01 4.22 -6.728312961e-01 -6.728312961e-01 4.24 -6.473931419e-01 -6.473931419e-01 4.26 -6.226571598e-01 -6.226571598e-01 4.28 -5.986672973e-01 -5.986672973e-01 4.30 -5.754600036e-01 -5.754600036e-01 4.32 -5.530621983e-01 -5.530621983e-01 4.34 -5.314898759e-01 -5.314898759e-01 4.36 -5.107473850e-01 -5.107473850e-01 4.38 -4.908273468e-01 -4.908273468e-01 4.40 -4.717111345e-01 -4.717111345e-01 4.42 -4.533698072e-01 -4.533698072e-01 4.44 -4.357653881e-01 -4.357653881e-01 4.46 -4.188523756e-01 -4.188523756e-01 4.48 -4.025793849e-01 -4.025793849e-01 4.50 -3.868908300e-01 -3.868908300e-01 4.52 -3.717285716e-01 -3.717285716e-01 4.54 -3.570334792e-01 -3.570334792e-01 4.56 -3.427468759e-01 -3.427468759e-01 4.58 -3.288118584e-01 -3.288118584e-01 4.60 -3.151745017e-01 -3.151745017e-01 4.62 -3.017849680e-01 -3.017849680e-01 4.64 -2.885985426e-01 -2.885985426e-01 4.66 -2.755766142e-01 -2.755766142e-01 4.68 -2.626876026e-01 -2.626876026e-01 4.70 -2.499078180e-01 -2.499078180e-01 4.72 -2.372222146e-01 -2.372222146e-01 4.74 -2.246249813e-01 -2.246249813e-01 4.76 -2.121198967e-01 -2.121198967e-01 4.78 -1.997203697e-01 -1.997203697e-01 4.80 -1.874490954e-01 -1.874490954e-01 4.82 -1.753372887e-01 -1.753372887e-01 4.84 -1.634234563e-01 -1.634234563e-01 4.86 -1.517517817e-01 -1.517517817e-01 4.88 -1.403701732e-01 -1.403701732e-01 4.90 -1.293281096e-01 -1.293281096e-01 4.92 -1.186744267e-01 -1.186744267e-01 4.94 -1.084551966e-01 -1.084551966e-01 4.96 -9.871183672e-02 -9.871183672e-02 4.98 -8.947955426e-02 -8.947955426e-02 5.00 -8.078619382e-02 -8.078619382e-02 5.02 -7.265151476e-02 -7.265151476e-02 5.04 -6.508689062e-02 -6.508689062e-02 5.06 -5.809539588e-02 -5.809539588e-02 5.08 -5.167222594e-02 -5.167222594e-02 5.10 -4.580539146e-02 -4.580539146e-02 5.12 -4.047662192e-02 -4.047662192e-02 5.14 -3.566239280e-02 -3.566239280e-02 5.16 -3.133502654e-02 -3.133502654e-02 5.18 -2.746380297e-02 -2.746380297e-02 5.20 -2.401619162e-02 -2.401619162e-02 5.22 -2.095877266e-02 -2.095877266e-02 5.24 -1.825723269e-02 -1.825723269e-02 5.26 -1.587787423e-02 -1.587787423e-02 5.28 -1.378896518e-02 -1.378896518e-02 5.30 -1.196028349e-02 -1.196028349e-02 5.32 -1.036344512e-02 -1.036344512e-02 5.34 -8.972135772e-03 -8.972135772e-03 5.36 -7.762228162e-03 -7.762228162e-03 5.38 -6.711809101e-03 -6.711809101e-03 5.40 -5.801138384e-03 -5.801138384e-03 5.42 -5.012558460e-03 -5.012558460e-03 5.44 -4.330370851e-03 -4.330370851e-03 5.46 -3.740692245e-03 -3.740692245e-03 5.48 -3.231300390e-03 -3.231300390e-03 5.50 -2.791477463e-03 -2.791477463e-03 5.52 -2.411856470e-03 -2.411856470e-03 5.54 -2.084274524e-03 -2.084274524e-03 5.56 -1.801635469e-03 -1.801635469e-03 5.58 -1.557783252e-03 -1.557783252e-03 5.60 -1.347386684e-03 -1.347386684e-03 5.62 -1.165835607e-03 -1.165835607e-03 5.64 -1.009148147e-03 -1.009148147e-03 5.66 -8.738884310e-04 -8.738884310e-04 5.68 -7.570940209e-04 -7.570940209e-04 5.70 -6.562122159e-04 -6.562122159e-04 5.72 -5.690443781e-04 -5.690443781e-04 5.74 -4.936974293e-04 -4.936974293e-04 5.76 -4.285417189e-04 -4.285417189e-04 5.78 -3.721745117e-04 -3.721745117e-04 5.80 -3.233884104e-04 -3.233884104e-04 5.82 -2.811440895e-04 -2.811440895e-04 5.84 -2.445467839e-04 -2.445467839e-04 5.86 -2.128260378e-04 -2.128260378e-04 5.88 -1.853182761e-04 -1.853182761e-04 5.90 -1.614518163e-04 -1.614518163e-04 5.92 -1.407339852e-04 -1.407339852e-04 5.94 -1.227400496e-04 -1.227400496e-04 5.96 -1.071037072e-04 -1.071037072e-04 5.98 -9.350891975e-05 -9.350891975e-05 6.00 -8.168289961e-05 -8.168289961e-05