# 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 = AuCoTa2 # 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 3.294070162e+02 3.294070162e+02 1.30 3.053322034e+02 3.053322034e+02 1.32 2.830610060e+02 2.830610060e+02 1.34 2.624483307e+02 2.624483307e+02 1.36 2.433577550e+02 2.433577550e+02 1.38 2.256626588e+02 2.256626588e+02 1.40 2.092474581e+02 2.092474581e+02 1.42 1.940079191e+02 1.940079191e+02 1.44 1.798504749e+02 1.798504749e+02 1.46 1.666909431e+02 1.666909431e+02 1.48 1.544531793e+02 1.544531793e+02 1.50 1.430680661e+02 1.430680661e+02 1.52 1.324727729e+02 1.324727729e+02 1.54 1.226099872e+02 1.226099872e+02 1.56 1.134270515e+02 1.134270515e+02 1.58 1.048751972e+02 1.048751972e+02 1.60 9.690905676e+01 9.690905676e+01 1.62 8.948645025e+01 8.948645025e+01 1.64 8.256829584e+01 8.256829584e+01 1.66 7.611850319e+01 7.611850319e+01 1.68 7.010380441e+01 7.010380441e+01 1.70 6.449353391e+01 6.449353391e+01 1.72 5.925937182e+01 5.925937182e+01 1.74 5.437506772e+01 5.437506772e+01 1.76 4.981617756e+01 4.981617756e+01 1.78 4.555984705e+01 4.555984705e+01 1.80 4.158465671e+01 4.158465671e+01 1.82 3.787053220e+01 3.787053220e+01 1.84 3.439872429e+01 3.439872429e+01 1.86 3.115502864e+01 3.115502864e+01 1.88 2.813032036e+01 2.813032036e+01 1.90 2.531007276e+01 2.531007276e+01 1.92 2.268985167e+01 2.268985167e+01 1.94 2.026160717e+01 2.026160717e+01 1.96 1.801360114e+01 1.801360114e+01 1.98 1.593474327e+01 1.593474327e+01 2.00 1.401452979e+01 1.401452979e+01 2.02 1.224287531e+01 1.224287531e+01 2.04 1.061001839e+01 1.061001839e+01 2.06 9.106496543e+00 9.106496543e+00 2.08 7.723180643e+00 7.723180643e+00 2.10 6.451348103e+00 6.451348103e+00 2.12 5.282765521e+00 5.282765521e+00 2.14 4.209754613e+00 4.209754613e+00 2.16 3.225226540e+00 3.225226540e+00 2.18 2.322681258e+00 2.322681258e+00 2.20 1.496175501e+00 1.496175501e+00 2.22 7.402658948e-01 7.402658948e-01 2.24 4.993512428e-02 4.993512428e-02 2.26 -5.794897720e-01 -5.794897720e-01 2.28 -1.152416993e+00 -1.152416993e+00 2.30 -1.673056801e+00 -1.673056801e+00 2.32 -2.145465380e+00 -2.145465380e+00 2.34 -2.573558377e+00 -2.573558377e+00 2.36 -2.961092873e+00 -2.961092873e+00 2.38 -3.311624677e+00 -3.311624677e+00 2.40 -3.628455012e+00 -3.628455012e+00 2.42 -3.914583535e+00 -3.914583535e+00 2.44 -4.172681798e+00 -4.172681798e+00 2.46 -4.405094063e+00 -4.405094063e+00 2.48 -4.613864090e+00 -4.613864090e+00 2.50 -4.800780444e+00 -4.800780444e+00 2.52 -4.967379037e+00 -4.967379037e+00 2.54 -5.114912377e+00 -5.114912377e+00 2.56 -5.244932243e+00 -5.244932243e+00 2.58 -5.358920242e+00 -5.358920242e+00 2.60 -5.458248717e+00 -5.458248717e+00 2.62 -5.544187408e+00 -5.544187408e+00 2.64 -5.617896623e+00 -5.617896623e+00 2.66 -5.680416701e+00 -5.680416701e+00 2.68 -5.732539701e+00 -5.732539701e+00 2.70 -5.774589866e+00 -5.774589866e+00 2.72 -5.806836275e+00 -5.806836275e+00 2.74 -5.829573148e+00 -5.829573148e+00 2.76 -5.843109243e+00 -5.843109243e+00 2.78 -5.847761324e+00 -5.847761324e+00 2.80 -5.843849951e+00 -5.843849951e+00 2.82 -5.831696823e+00 -5.831696823e+00 2.84 -5.811640220e+00 -5.811640220e+00 2.86 -5.784022182e+00 -5.784022182e+00 2.88 -5.749130959e+00 -5.749130959e+00 2.90 -5.707260874e+00 -5.707260874e+00 2.92 -5.658714635e+00 -5.658714635e+00 2.94 -5.603802817e+00 -5.603802817e+00 2.96 -5.542842825e+00 -5.542842825e+00 2.98 -5.476157204e+00 -5.476157204e+00 3.00 -5.404124336e+00 -5.404124336e+00 3.02 -5.327059262e+00 -5.327059262e+00 3.04 -5.245177047e+00 -5.245177047e+00 3.06 -5.158686330e+00 -5.158686330e+00 3.08 -5.067803793e+00 -5.067803793e+00 3.10 -4.972749859e+00 -4.972749859e+00 3.12 -4.873748035e+00 -4.873748035e+00 3.14 -4.771028648e+00 -4.771028648e+00 3.16 -4.664836839e+00 -4.664836839e+00 3.18 -4.555441218e+00 -4.555441218e+00 3.20 -4.443144877e+00 -4.443144877e+00 3.22 -4.328301627e+00 -4.328301627e+00 3.24 -4.211324423e+00 -4.211324423e+00 3.26 -4.092687621e+00 -4.092687621e+00 3.28 -3.972922149e+00 -3.972922149e+00 3.30 -3.852602959e+00 -3.852602959e+00 3.32 -3.732329271e+00 -3.732329271e+00 3.34 -3.612699310e+00 -3.612699310e+00 3.36 -3.494282254e+00 -3.494282254e+00 3.38 -3.377590669e+00 -3.377590669e+00 3.40 -3.263056677e+00 -3.263056677e+00 3.42 -3.151014471e+00 -3.151014471e+00 3.44 -3.041690731e+00 -3.041690731e+00 3.46 -2.935203264e+00 -2.935203264e+00 3.48 -2.831567107e+00 -2.831567107e+00 3.50 -2.730706535e+00 -2.730706535e+00 3.52 -2.632471107e+00 -2.632471107e+00 3.54 -2.536653881e+00 -2.536653881e+00 3.56 -2.443010266e+00 -2.443010266e+00 3.58 -2.351276387e+00 -2.351276387e+00 3.60 -2.261186283e+00 -2.261186283e+00 3.62 -2.172487597e+00 -2.172487597e+00 3.64 -2.084955615e+00 -2.084955615e+00 3.66 -1.998405590e+00 -1.998405590e+00 3.68 -1.912703203e+00 -1.912703203e+00 3.70 -1.827772935e+00 -1.827772935e+00 3.72 -1.743603938e+00 -1.743603938e+00 3.74 -1.660252928e+00 -1.660252928e+00 3.76 -1.577843581e+00 -1.577843581e+00 3.78 -1.496562073e+00 -1.496562073e+00 3.80 -1.416648620e+00 -1.416648620e+00 3.82 -1.338385275e+00 -1.338385275e+00 3.84 -1.262080640e+00 -1.262080640e+00 3.86 -1.188052588e+00 -1.188052588e+00 3.88 -1.116610340e+00 -1.116610340e+00 3.90 -1.048037427e+00 -1.048037427e+00 3.92 -9.825769350e-01 -9.825769350e-01 3.94 -9.204201625e-01 -9.204201625e-01 3.96 -8.616993965e-01 -8.616993965e-01 3.98 -8.064850099e-01 -8.064850099e-01 4.00 -7.547866209e-01 -7.547866209e-01 4.02 -7.065576826e-01 -7.065576826e-01 4.04 -6.617026433e-01 -6.617026433e-01 4.06 -6.200857348e-01 -6.200857348e-01 4.08 -5.815404925e-01 -5.815404925e-01 4.10 -5.458792446e-01 -5.458792446e-01 4.12 -5.129019979e-01 -5.129019979e-01 4.14 -4.824043064e-01 -4.824043064e-01 4.16 -4.541839274e-01 -4.541839274e-01 4.18 -4.280461449e-01 -4.280461449e-01 4.20 -4.038077654e-01 -4.038077654e-01 4.22 -3.812998351e-01 -3.812998351e-01 4.24 -3.603691626e-01 -3.603691626e-01 4.26 -3.408787574e-01 -3.408787574e-01 4.28 -3.227073234e-01 -3.227073234e-01 4.30 -3.057479815e-01 -3.057479815e-01 4.32 -2.899064343e-01 -2.899064343e-01 4.34 -2.750988172e-01 -2.750988172e-01 4.36 -2.612494897e-01 -2.612494897e-01 4.38 -2.482889941e-01 -2.482889941e-01 4.40 -2.361523585e-01 -2.361523585e-01 4.42 -2.247778399e-01 -2.247778399e-01 4.44 -2.141061234e-01 -2.141061234e-01 4.46 -2.040799311e-01 -2.040799311e-01 4.48 -1.946439408e-01 -1.946439408e-01 4.50 -1.857447889e-01 -1.857447889e-01 4.52 -1.773314003e-01 -1.773314003e-01 4.54 -1.693555734e-01 -1.693555734e-01 4.56 -1.617715966e-01 -1.617715966e-01 4.58 -1.545367244e-01 -1.545367244e-01 4.60 -1.476112507e-01 -1.476112507e-01 4.62 -1.409583571e-01 -1.409583571e-01 4.64 -1.345441404e-01 -1.345441404e-01 4.66 -1.283376101e-01 -1.283376101e-01 4.68 -1.223106888e-01 -1.223106888e-01 4.70 -1.164382384e-01 -1.164382384e-01 4.72 -1.106981320e-01 -1.106981320e-01 4.74 -1.050713815e-01 -1.050713815e-01 4.76 -9.954232181e-02 -9.954232181e-02 4.78 -9.409884379e-02 -9.409884379e-02 4.80 -8.873265271e-02 -8.873265271e-02 4.82 -8.343952560e-02 -8.343952560e-02 4.84 -7.821951234e-02 -7.821951234e-02 4.86 -7.307704267e-02 -7.307704267e-02 4.88 -6.802087290e-02 -6.802087290e-02 4.90 -6.306382616e-02 -6.306382616e-02 4.92 -5.822228945e-02 -5.822228945e-02 4.94 -5.351545636e-02 -5.351545636e-02 4.96 -4.896433883e-02 -4.896433883e-02 4.98 -4.459059522e-02 -4.459059522e-02 5.00 -4.041527755e-02 -4.041527755e-02 5.02 -3.645760188e-02 -3.645760188e-02 5.04 -3.273384812e-02 -3.273384812e-02 5.06 -2.925649850e-02 -2.925649850e-02 5.08 -2.603366561e-02 -2.603366561e-02 5.10 -2.306884312e-02 -2.306884312e-02 5.12 -2.036098065e-02 -2.036098065e-02 5.14 -1.790483037e-02 -1.790483037e-02 5.16 -1.569118533e-02 -1.569118533e-02 5.18 -1.370815279e-02 -1.370815279e-02 5.20 -1.194191046e-02 -1.194191046e-02 5.22 -1.037700966e-02 -1.037700966e-02 5.24 -8.997083276e-03 -8.997083276e-03 5.26 -7.785456645e-03 -7.785456645e-03 5.28 -6.725646197e-03 -6.725646197e-03 5.30 -5.801743999e-03 -5.801743999e-03 5.32 -4.998695306e-03 -4.998695306e-03 5.34 -4.302481893e-03 -4.302481893e-03 5.36 -3.700226573e-03 -3.700226573e-03 5.38 -3.180234840e-03 -3.180234840e-03 5.40 -2.731988689e-03 -2.731988689e-03 5.42 -2.346105871e-03 -2.346105871e-03 5.44 -2.014275770e-03 -2.014275770e-03 5.46 -1.729180887e-03 -1.729180887e-03 5.48 -1.484410893e-03 -1.484410893e-03 5.50 -1.274374452e-03 -1.274374452e-03 5.52 -1.094212498e-03 -1.094212498e-03 5.54 -9.397154546e-04 -9.397154546e-04 5.56 -8.072459878e-04 -8.072459878e-04 5.58 -6.936681187e-04 -6.936681187e-04 5.60 -5.962830694e-04 -5.962830694e-04 5.62 -5.127718189e-04 -5.127718189e-04 5.64 -4.411441226e-04 -4.411441226e-04 5.66 -3.796935926e-04 -3.796935926e-04 5.68 -3.269583548e-04 -3.269583548e-04 5.70 -2.816867585e-04 -2.816867585e-04 5.72 -2.428076147e-04 -2.428076147e-04 5.74 -2.094044505e-04 -2.094044505e-04 5.76 -1.806933019e-04 -1.806933019e-04 5.78 -1.560036029e-04 -1.560036029e-04 5.80 -1.347617724e-04 -1.347617724e-04 5.82 -1.164771384e-04 -1.164771384e-04 5.84 -1.007298834e-04 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