# 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 = CuTa2W # 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 3.238532993e+02 3.238532993e+02 1.30 2.994168101e+02 2.994168101e+02 1.32 2.768394173e+02 2.768394173e+02 1.34 2.559653621e+02 2.559653621e+02 1.36 2.366527550e+02 2.366527550e+02 1.38 2.187725649e+02 2.187725649e+02 1.40 2.022084299e+02 2.022084299e+02 1.42 1.868562772e+02 1.868562772e+02 1.44 1.726227268e+02 1.726227268e+02 1.46 1.594224867e+02 1.594224867e+02 1.48 1.471758240e+02 1.471758240e+02 1.50 1.358071321e+02 1.358071321e+02 1.52 1.252449947e+02 1.252449947e+02 1.54 1.154234001e+02 1.154234001e+02 1.56 1.062832278e+02 1.062832278e+02 1.58 9.777309477e+01 9.777309477e+01 1.60 8.984909516e+01 8.984909516e+01 1.62 8.247354983e+01 8.247354983e+01 1.64 7.561325500e+01 7.561325500e+01 1.66 6.923778102e+01 6.923778102e+01 1.68 6.331820284e+01 6.331820284e+01 1.70 5.782637900e+01 5.782637900e+01 1.72 5.273469917e+01 5.273469917e+01 1.74 4.801615291e+01 4.801615291e+01 1.76 4.364457858e+01 4.364457858e+01 1.78 3.959497277e+01 3.959497277e+01 1.80 3.584377440e+01 3.584377440e+01 1.82 3.236907685e+01 3.236907685e+01 1.84 2.915073924e+01 2.915073924e+01 1.86 2.617036730e+01 2.617036730e+01 1.88 2.341114760e+01 2.341114760e+01 1.90 2.085834740e+01 2.085834740e+01 1.92 1.850524703e+01 1.850524703e+01 1.94 1.633945530e+01 1.633945530e+01 1.96 1.434637541e+01 1.434637541e+01 1.98 1.251180085e+01 1.251180085e+01 2.00 1.082210311e+01 1.082210311e+01 2.02 9.264525345e+00 9.264525345e+00 2.04 7.827384452e+00 7.827384452e+00 2.06 6.500247976e+00 6.500247976e+00 2.08 5.273976607e+00 5.273976607e+00 2.10 4.140633044e+00 4.140633044e+00 2.12 3.093308849e+00 3.093308849e+00 2.14 2.125934634e+00 2.125934634e+00 2.16 1.233118081e+00 1.233118081e+00 2.18 4.100215036e-01 4.100215036e-01 2.20 -3.477323176e-01 -3.477323176e-01 2.22 -1.044143163e+00 -1.044143163e+00 2.24 -1.682916521e+00 -1.682916521e+00 2.26 -2.267549175e+00 -2.267549175e+00 2.28 -2.801412080e+00 -2.801412080e+00 2.30 -3.287819820e+00 -3.287819820e+00 2.32 -3.730072978e+00 -3.730072978e+00 2.34 -4.131462218e+00 -4.131462218e+00 2.36 -4.495232218e+00 -4.495232218e+00 2.38 -4.824516435e+00 -4.824516435e+00 2.40 -5.122263007e+00 -5.122263007e+00 2.42 -5.391172969e+00 -5.391172969e+00 2.44 -5.633664744e+00 -5.633664744e+00 2.46 -5.851868533e+00 -5.851868533e+00 2.48 -6.047645672e+00 -6.047645672e+00 2.50 -6.222623604e+00 -6.222623604e+00 2.52 -6.378236832e+00 -6.378236832e+00 2.54 -6.515766456e+00 -6.515766456e+00 2.56 -6.636373998e+00 -6.636373998e+00 2.58 -6.741127979e+00 -6.741127979e+00 2.60 -6.830986373e+00 -6.830986373e+00 2.62 -6.906691100e+00 -6.906691100e+00 2.64 -6.969225780e+00 -6.969225780e+00 2.66 -7.019652771e+00 -7.019652771e+00 2.68 -7.058954685e+00 -7.058954685e+00 2.70 -7.088039679e+00 -7.088039679e+00 2.72 -7.107742067e+00 -7.107742067e+00 2.74 -7.118819805e+00 -7.118819805e+00 2.76 -7.121951274e+00 -7.121951274e+00 2.78 -7.117682950e+00 -7.117682950e+00 2.80 -7.106080512e+00 -7.106080512e+00 2.82 -7.087010219e+00 -7.087010219e+00 2.84 -7.060397849e+00 -7.060397849e+00 2.86 -7.026231484e+00 -7.026231484e+00 2.88 -6.984562220e+00 -6.984562220e+00 2.90 -6.935504222e+00 -6.935504222e+00 2.92 -6.879231721e+00 -6.879231721e+00 2.94 -6.815971617e+00 -6.815971617e+00 2.96 -6.745991490e+00 -6.745991490e+00 2.98 -6.669586337e+00 -6.669586337e+00 3.00 -6.587300628e+00 -6.587300628e+00 3.02 -6.499316707e+00 -6.499316707e+00 3.04 -6.405577280e+00 -6.405577280e+00 3.06 -6.306067774e+00 -6.306067774e+00 3.08 -6.200802862e+00 -6.200802862e+00 3.10 -6.089816651e+00 -6.089816651e+00 3.12 -5.973157241e+00 -5.973157241e+00 3.14 -5.850898973e+00 -5.850898973e+00 3.16 -5.723158999e+00 -5.723158999e+00 3.18 -5.590073496e+00 -5.590073496e+00 3.20 -5.451807683e+00 -5.451807683e+00 3.22 -5.308573345e+00 -5.308573345e+00 3.24 -5.160646005e+00 -5.160646005e+00 3.26 -5.008379589e+00 -5.008379589e+00 3.28 -4.852216534e+00 -4.852216534e+00 3.30 -4.692691619e+00 -4.692691619e+00 3.32 -4.530428447e+00 -4.530428447e+00 3.34 -4.366128380e+00 -4.366128380e+00 3.36 -4.200552626e+00 -4.200552626e+00 3.38 -4.034498974e+00 -4.034498974e+00 3.40 -3.868775215e+00 -3.868775215e+00 3.42 -3.704171388e+00 -3.704171388e+00 3.44 -3.541432913e+00 -3.541432913e+00 3.46 -3.381236299e+00 -3.381236299e+00 3.48 -3.224168796e+00 -3.224168796e+00 3.50 -3.070712997e+00 -3.070712997e+00 3.52 -2.921237171e+00 -2.921237171e+00 3.54 -2.775991818e+00 -2.775991818e+00 3.56 -2.635112677e+00 -2.635112677e+00 3.58 -2.498630004e+00 -2.498630004e+00 3.60 -2.366483564e+00 -2.366483564e+00 3.62 -2.238542309e+00 -2.238542309e+00 3.64 -2.114627385e+00 -2.114627385e+00 3.66 -1.994536852e+00 -1.994536852e+00 3.68 -1.878070356e+00 -1.878070356e+00 3.70 -1.765052036e+00 -1.765052036e+00 3.72 -1.655350041e+00 -1.655350041e+00 3.74 -1.548891235e+00 -1.548891235e+00 3.76 -1.445670008e+00 -1.445670008e+00 3.78 -1.345750471e+00 -1.345750471e+00 3.80 -1.249261849e+00 -1.249261849e+00 3.82 -1.156387474e+00 -1.156387474e+00 3.84 -1.067348393e+00 -1.067348393e+00 3.86 -9.823832267e-01 -9.823832267e-01 3.88 -9.017263434e-01 -9.017263434e-01 3.90 -8.255865904e-01 -8.255865904e-01 3.92 -7.541287293e-01 -7.541287293e-01 3.94 -6.874592588e-01 -6.874592588e-01 3.96 -6.256176582e-01 -6.256176582e-01 3.98 -5.685733262e-01 -5.685733262e-01 4.00 -5.162277824e-01 -5.162277824e-01 4.02 -4.684211705e-01 -4.684211705e-01 4.04 -4.249418046e-01 -4.249418046e-01 4.06 -3.855374327e-01 -3.855374327e-01 4.08 -3.499270179e-01 -3.499270179e-01 4.10 -3.178120749e-01 -3.178120749e-01 4.12 -2.888868913e-01 -2.888868913e-01 4.14 -2.628472399e-01 -2.628472399e-01 4.16 -2.393974373e-01 -2.393974373e-01 4.18 -2.182557754e-01 -2.182557754e-01 4.20 -1.991584767e-01 -1.991584767e-01 4.22 -1.818623865e-01 -1.818623865e-01 4.24 -1.661466345e-01 -1.661466345e-01 4.26 -1.518134845e-01 -1.518134845e-01 4.28 -1.386885554e-01 -1.386885554e-01 4.30 -1.266205493e-01 -1.266205493e-01 4.32 -1.154805733e-01 -1.154805733e-01 4.34 -1.051610963e-01 -1.051610963e-01 4.36 -9.557454881e-02 -9.557454881e-02 4.38 -8.665155779e-02 -8.665155779e-02 4.40 -7.833882291e-02 -7.833882291e-02 4.42 -7.059666043e-02 -7.059666043e-02 4.44 -6.339624146e-02 -6.339624146e-02 4.46 -5.671646487e-02 -5.671646487e-02 4.48 -5.054204047e-02 -5.054204047e-02 4.50 -4.486027302e-02 -4.486027302e-02 4.52 -3.965870214e-02 -3.965870214e-02 4.54 -3.492344076e-02 -3.492344076e-02 4.56 -3.063805040e-02 -3.063805040e-02 4.58 -2.678298816e-02 -2.678298816e-02 4.60 -2.333557115e-02 -2.333557115e-02 4.62 -2.027018962e-02 -2.027018962e-02 4.64 -1.755894640e-02 -1.755894640e-02 4.66 -1.517326081e-02 -1.517326081e-02 4.68 -1.308392774e-02 -1.308392774e-02 4.70 -1.126188169e-02 -1.126188169e-02 4.72 -9.678894705e-03 -9.678894705e-03 4.74 -8.308119290e-03 -8.308119290e-03 4.76 -7.124473103e-03 -7.124473103e-03 4.78 -6.104877866e-03 -6.104877866e-03 4.80 -5.228373920e-03 -5.228373920e-03 4.82 -4.476136438e-03 -4.476136438e-03 4.84 -3.831416018e-03 -3.831416018e-03 4.86 -3.279429279e-03 -3.279429279e-03 4.88 -2.807216047e-03 -2.807216047e-03 4.90 -2.403479172e-03 -2.403479172e-03 4.92 -2.058418171e-03 -2.058418171e-03 4.94 -1.763564859e-03 -1.763564859e-03 4.96 -1.511626433e-03 -1.511626433e-03 4.98 -1.296339412e-03 -1.296339412e-03 5.00 -1.112336278e-03 -1.112336278e-03 5.02 -9.550254925e-04 -9.550254925e-04 5.04 -8.204848341e-04 -8.204848341e-04 5.06 -7.053674592e-04 -7.053674592e-04 5.08 -6.068197980e-04 -6.068197980e-04 5.10 -5.224102369e-04 -5.224102369e-04 5.12 -4.500674791e-04 -4.500674791e-04 5.14 -3.880274885e-04 -3.880274885e-04 5.16 -3.347879703e-04 -3.347879703e-04 5.18 -2.890694229e-04 -2.890694229e-04 5.20 -2.497818828e-04 -2.497818828e-04 5.22 -2.159965778e-04 -2.159965778e-04 5.24 -1.869217975e-04 -1.869217975e-04 5.26 -1.618823718e-04 -1.618823718e-04 5.28 -1.403022322e-04 -1.403022322e-04 5.30 -1.216896001e-04 -1.216896001e-04 5.32 -1.056244094e-04 -1.056244094e-04 5.34 -9.174762838e-05 -9.174762838e-05 5.36 -7.975219499e-05 -7.975219499e-05 5.38 -6.937531914e-05 -6.937531914e-05 5.40 -6.039194586e-05 -6.039194586e-05 5.42 -5.260920211e-05 -5.260920211e-05 5.44 -4.586167742e-05 -4.586167742e-05 5.46 -4.000741152e-05 -4.000741152e-05 5.48 -3.492448139e-05 -3.492448139e-05 5.50 -3.050809651e-05 -3.050809651e-05 5.52 -2.666812541e-05 -2.666812541e-05 5.54 -2.332698806e-05 -2.332698806e-05 5.56 -2.041785893e-05 -2.041785893e-05 5.58 -1.788313393e-05 -1.788313393e-05 5.60 -1.567312161e-05 -1.567312161e-05 5.62 -1.374492502e-05 -1.374492502e-05 5.64 -1.206148585e-05 -1.206148585e-05 5.66 -1.059076667e-05 -1.059076667e-05 5.68 -9.305050828e-06 -9.305050828e-06 5.70 -8.180342711e-06 -8.180342711e-06 5.72 -7.195853526e-06 -7.195853526e-06 5.74 -6.333560149e-06 -6.333560149e-06 5.76 -5.577826355e-06 -5.577826355e-06 5.78 -4.915077400e-06 -4.915077400e-06 5.80 -4.333520213e-06 -4.333520213e-06 5.82 -3.822902661e-06 -3.822902661e-06 5.84 -3.374306255e-06 -3.374306255e-06 5.86 -2.979967547e-06 -2.979967547e-06 5.88 -2.633124130e-06 -2.633124130e-06 5.90 -2.327881751e-06 -2.327881751e-06 5.92 -2.059099579e-06 -2.059099579e-06 5.94 -1.822291066e-06 -1.822291066e-06 5.96 -1.613538227e-06 -1.613538227e-06 5.98 -1.429417474e-06 -1.429417474e-06 6.00 -1.266935402e-06 -1.266935402e-06