# 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 = Au2CoW # 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 3.439925731e+02 3.439925731e+02 1.30 3.184551158e+02 3.184551158e+02 1.32 2.948253790e+02 2.948253790e+02 1.34 2.729477704e+02 2.729477704e+02 1.36 2.526844332e+02 2.526844332e+02 1.38 2.339124919e+02 2.339124919e+02 1.40 2.165209955e+02 2.165209955e+02 1.42 2.004076065e+02 2.004076065e+02 1.44 1.854761287e+02 1.854761287e+02 1.46 1.716355168e+02 1.716355168e+02 1.48 1.587999088e+02 1.587999088e+02 1.50 1.468890788e+02 1.468890788e+02 1.52 1.358290475e+02 1.358290475e+02 1.54 1.255524881e+02 1.255524881e+02 1.56 1.159985380e+02 1.159985380e+02 1.58 1.071120648e+02 1.071120648e+02 1.60 9.884274822e+01 9.884274822e+01 1.62 9.114426896e+01 9.114426896e+01 1.64 8.397370568e+01 8.397370568e+01 1.66 7.729114182e+01 7.729114182e+01 1.68 7.105948218e+01 7.105948218e+01 1.70 6.524449757e+01 6.524449757e+01 1.72 5.981507197e+01 5.981507197e+01 1.74 5.474350390e+01 5.474350390e+01 1.76 5.000563913e+01 5.000563913e+01 1.78 4.558083524e+01 4.558083524e+01 1.80 4.145162381e+01 4.145162381e+01 1.82 3.760545285e+01 3.760545285e+01 1.84 3.405055810e+01 3.405055810e+01 1.86 3.077384279e+01 3.077384279e+01 1.88 2.775694647e+01 2.775694647e+01 1.90 2.498172147e+01 2.498172147e+01 1.92 2.243046256e+01 2.243046256e+01 1.94 2.008614194e+01 2.008614194e+01 1.96 1.793257390e+01 1.793257390e+01 1.98 1.595449374e+01 1.595449374e+01 2.00 1.413758345e+01 1.413758345e+01 2.02 1.246848620e+01 1.246848620e+01 2.04 1.093482204e+01 1.093482204e+01 2.06 9.525185925e+00 9.525185925e+00 2.08 8.229110191e+00 8.229110191e+00 2.10 7.037000865e+00 7.037000865e+00 2.12 5.940075035e+00 5.940075035e+00 2.14 4.930319642e+00 4.930319642e+00 2.16 4.000471889e+00 4.000471889e+00 2.18 3.144005903e+00 3.144005903e+00 2.20 2.355107194e+00 2.355107194e+00 2.22 1.628624037e+00 1.628624037e+00 2.24 9.599961863e-01 9.599961863e-01 2.26 3.451698174e-01 3.451698174e-01 2.28 -2.194897152e-01 -2.194897152e-01 2.30 -7.372776108e-01 -7.372776108e-01 2.32 -1.211216095e+00 -1.211216095e+00 2.34 -1.644105783e+00 -1.644105783e+00 2.36 -2.038517768e+00 -2.038517768e+00 2.38 -2.396867137e+00 -2.396867137e+00 2.40 -2.721576603e+00 -2.721576603e+00 2.42 -3.014925940e+00 -3.014925940e+00 2.44 -3.279062670e+00 -3.279062670e+00 2.46 -3.516015709e+00 -3.516015709e+00 2.48 -3.727706495e+00 -3.727706495e+00 2.50 -3.915955448e+00 -3.915955448e+00 2.52 -4.082340296e+00 -4.082340296e+00 2.54 -4.228163861e+00 -4.228163861e+00 2.56 -4.354718344e+00 -4.354718344e+00 2.58 -4.463301834e+00 -4.463301834e+00 2.60 -4.555207038e+00 -4.555207038e+00 2.62 -4.631702350e+00 -4.631702350e+00 2.64 -4.694005723e+00 -4.694005723e+00 2.66 -4.743266429e+00 -4.743266429e+00 2.68 -4.780569829e+00 -4.780569829e+00 2.70 -4.806796194e+00 -4.806796194e+00 2.72 -4.822716453e+00 -4.822716453e+00 2.74 -4.829022186e+00 -4.829022186e+00 2.76 -4.826340616e+00 -4.826340616e+00 2.78 -4.815249877e+00 -4.815249877e+00 2.80 -4.796289961e+00 -4.796289961e+00 2.82 -4.770017066e+00 -4.770017066e+00 2.84 -4.736813259e+00 -4.736813259e+00 2.86 -4.696882624e+00 -4.696882624e+00 2.88 -4.650473634e+00 -4.650473634e+00 2.90 -4.597877309e+00 -4.597877309e+00 2.92 -4.539426941e+00 -4.539426941e+00 2.94 -4.475499139e+00 -4.475499139e+00 2.96 -4.406514955e+00 -4.406514955e+00 2.98 -4.332933878e+00 -4.332933878e+00 3.00 -4.255241268e+00 -4.255241268e+00 3.02 -4.173954529e+00 -4.173954529e+00 3.04 -4.089611491e+00 -4.089611491e+00 3.06 -4.002750304e+00 -4.002750304e+00 3.08 -3.913886335e+00 -3.913886335e+00 3.10 -3.823489509e+00 -3.823489509e+00 3.12 -3.731965924e+00 -3.731965924e+00 3.14 -3.639646715e+00 -3.639646715e+00 3.16 -3.546785389e+00 -3.546785389e+00 3.18 -3.453562990e+00 -3.453562990e+00 3.20 -3.360099121e+00 -3.360099121e+00 3.22 -3.266466432e+00 -3.266466432e+00 3.24 -3.172706403e+00 -3.172706403e+00 3.26 -3.078844889e+00 -3.078844889e+00 3.28 -2.984906502e+00 -2.984906502e+00 3.30 -2.890927368e+00 -2.890927368e+00 3.32 -2.796966032e+00 -2.796966032e+00 3.34 -2.703112282e+00 -2.703112282e+00 3.36 -2.609493614e+00 -2.609493614e+00 3.38 -2.516278941e+00 -2.516278941e+00 3.40 -2.423679155e+00 -2.423679155e+00 3.42 -2.331944207e+00 -2.331944207e+00 3.44 -2.241356621e+00 -2.241356621e+00 3.46 -2.152221711e+00 -2.152221711e+00 3.48 -2.064855153e+00 -2.064855153e+00 3.50 -1.979568944e+00 -1.979568944e+00 3.52 -1.896657043e+00 -1.896657043e+00 3.54 -1.816382067e+00 -1.816382067e+00 3.56 -1.738964252e+00 -1.738964252e+00 3.58 -1.664573627e+00 -1.664573627e+00 3.60 -1.593325836e+00 -1.593325836e+00 3.62 -1.525281647e+00 -1.525281647e+00 3.64 -1.460449733e+00 -1.460449733e+00 3.66 -1.398792035e+00 -1.398792035e+00 3.68 -1.340230872e+00 -1.340230872e+00 3.70 -1.284656950e+00 -1.284656950e+00 3.72 -1.231937510e+00 -1.231937510e+00 3.74 -1.181924016e+00 -1.181924016e+00 3.76 -1.134458976e+00 -1.134458976e+00 3.78 -1.089381656e+00 -1.089381656e+00 3.80 -1.046532608e+00 -1.046532608e+00 3.82 -1.005757036e+00 -1.005757036e+00 3.84 -9.669071282e-01 -9.669071282e-01 3.86 -9.298434987e-01 -9.298434987e-01 3.88 -8.944359256e-01 -8.944359256e-01 3.90 -8.605635468e-01 -8.605635468e-01 3.92 -8.281146753e-01 -8.281146753e-01 3.94 -7.969863682e-01 -7.969863682e-01 3.96 -7.670838495e-01 -7.670838495e-01 3.98 -7.383198898e-01 -7.383198898e-01 4.00 -7.106141992e-01 -7.106141992e-01 4.02 -6.838928949e-01 -6.838928949e-01 4.04 -6.580880821e-01 -6.580880821e-01 4.06 -6.331375812e-01 -6.331375812e-01 4.08 -6.089848219e-01 -6.089848219e-01 4.10 -5.855789093e-01 -5.855789093e-01 4.12 -5.628748689e-01 -5.628748689e-01 4.14 -5.408340096e-01 -5.408340096e-01 4.16 -5.194243958e-01 -5.194243958e-01 4.18 -4.986213124e-01 -4.986213124e-01 4.20 -4.784076260e-01 -4.784076260e-01 4.22 -4.587739079e-01 -4.587739079e-01 4.24 -4.397181845e-01 -4.397181845e-01 4.26 -4.212452003e-01 -4.212452003e-01 4.28 -4.033651353e-01 -4.033651353e-01 4.30 -3.860917984e-01 -3.860917984e-01 4.32 -3.694404167e-01 -3.694404167e-01 4.34 -3.534252301e-01 -3.534252301e-01 4.36 -3.380571562e-01 -3.380571562e-01 4.38 -3.233417937e-01 -3.233417937e-01 4.40 -3.092779825e-01 -3.092779825e-01 4.42 -2.958570437e-01 -2.958570437e-01 4.44 -2.830627135e-01 -2.830627135e-01 4.46 -2.708716866e-01 -2.708716866e-01 4.48 -2.592546145e-01 -2.592546145e-01 4.50 -2.481773792e-01 -2.481773792e-01 4.52 -2.376024666e-01 -2.376024666e-01 4.54 -2.274903004e-01 -2.274903004e-01 4.56 -2.178004374e-01 -2.178004374e-01 4.58 -2.084925743e-01 -2.084925743e-01 4.60 -1.995273535e-01 -1.995273535e-01 4.62 -1.908669812e-01 -1.908669812e-01 4.64 -1.824756953e-01 -1.824756953e-01 4.66 -1.743201205e-01 -1.743201205e-01 4.68 -1.663695578e-01 -1.663695578e-01 4.70 -1.585962454e-01 -1.585962454e-01 4.72 -1.509756224e-01 -1.509756224e-01 4.74 -1.434866185e-01 -1.434866185e-01 4.76 -1.361119761e-01 -1.361119761e-01 4.78 -1.288386043e-01 -1.288386043e-01 4.80 -1.216579402e-01 -1.216579402e-01 4.82 -1.145662941e-01 -1.145662941e-01 4.84 -1.075651137e-01 -1.075651137e-01 4.86 -1.006611317e-01 -1.006611317e-01 4.88 -9.386632001e-02 -9.386632001e-02 4.90 -8.719759890e-02 -8.719759890e-02 4.92 -8.067626048e-02 -8.067626048e-02 4.94 -7.432709104e-02 -7.432709104e-02 4.96 -6.817709791e-02 -6.817709791e-02 4.98 -6.225418602e-02 -6.225418602e-02 5.00 -5.658603275e-02 -5.658603275e-02 5.02 -5.119825259e-02 -5.119825259e-02 5.04 -4.611300982e-02 -4.611300982e-02 5.06 -4.134789115e-02 -4.134789115e-02 5.08 -3.691511439e-02 -3.691511439e-02 5.10 -3.282112000e-02 -3.282112000e-02 5.12 -2.906654495e-02 -2.906654495e-02 5.14 -2.564654140e-02 -2.564654140e-02 5.16 -2.255137151e-02 -2.255137151e-02 5.18 -1.976719103e-02 -1.976719103e-02 5.20 -1.727690952e-02 -1.727690952e-02 5.22 -1.506082686e-02 -1.506082686e-02 5.24 -1.309825307e-02 -1.309825307e-02 5.26 -1.136788306e-02 -1.136788306e-02 5.28 -9.848302318e-03 -9.848302318e-03 5.30 -8.518551020e-03 -8.518551020e-03 5.32 -7.358550273e-03 -7.358550273e-03 5.34 -6.349402365e-03 -6.349402365e-03 5.36 -5.473581851e-03 -5.473581851e-03 5.38 -4.715036607e-03 -4.715036607e-03 5.40 -4.059217924e-03 -4.059217924e-03 5.42 -3.493057238e-03 -3.493057238e-03 5.44 -3.004904846e-03 -3.004904846e-03 5.46 -2.584443344e-03 -2.584443344e-03 5.48 -2.222586016e-03 -2.222586016e-03 5.50 -1.911367990e-03 -1.911367990e-03 5.52 -1.643835973e-03 -1.643835973e-03 5.54 -1.413940663e-03 -1.413940663e-03 5.56 -1.216434580e-03 -1.216434580e-03 5.58 -1.046777003e-03 -1.046777003e-03 5.60 -9.010469168e-04 -9.010469168e-04 5.62 -7.758642809e-04 -7.758642809e-04 5.64 -6.683195567e-04 -6.683195567e-04 5.66 -5.759111400e-04 -5.759111400e-04 5.68 -4.964901921e-04 -4.964901921e-04 5.70 -4.282122677e-04 -4.282122677e-04 5.72 -3.694951021e-04 -3.694951021e-04 5.74 -3.189819157e-04 -3.189819157e-04 5.76 -2.755096191e-04 -2.755096191e-04 5.78 -2.380813383e-04 -2.380813383e-04 5.80 -2.058427276e-04 -2.058427276e-04 5.82 -1.780615852e-04 -1.780615852e-04 5.84 -1.541103372e-04 -1.541103372e-04 5.86 -1.334510069e-04 -1.334510069e-04 5.88 -1.156223275e-04 -1.156223275e-04 5.90 -1.002287034e-04 -1.002287034e-04 5.92 -8.693075928e-05 -8.693075928e-05 5.94 -7.543725243e-05 -7.543725243e-05 5.96 -6.549815493e-05 -6.549815493e-05 5.98 -5.689873641e-05 -5.689873641e-05 6.00 -4.945450405e-05 -4.945450405e-05