# 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 = Al2MoPb # 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 2.116961846e+02 2.116961846e+02 1.30 1.974314650e+02 1.974314650e+02 1.32 1.841473558e+02 1.841473558e+02 1.34 1.717780428e+02 1.717780428e+02 1.36 1.602633718e+02 1.602633718e+02 1.38 1.495450520e+02 1.495450520e+02 1.40 1.395650069e+02 1.395650069e+02 1.42 1.302659749e+02 1.302659749e+02 1.44 1.215931615e+02 1.215931615e+02 1.46 1.134957850e+02 1.134957850e+02 1.48 1.059279617e+02 1.059279617e+02 1.50 9.884878609e+01 9.884878609e+01 1.52 9.222181801e+01 9.222181801e+01 1.54 8.601435784e+01 8.601435784e+01 1.56 8.019678416e+01 8.019678416e+01 1.58 7.474203771e+01 7.474203771e+01 1.60 6.962526607e+01 6.962526607e+01 1.62 6.482365410e+01 6.482365410e+01 1.64 6.031639510e+01 6.031639510e+01 1.66 5.608471695e+01 5.608471695e+01 1.68 5.211337126e+01 5.211337126e+01 1.70 4.838941401e+01 4.838941401e+01 1.72 4.490419468e+01 4.490419468e+01 1.74 4.164380364e+01 4.164380364e+01 1.76 3.859681814e+01 3.859681814e+01 1.78 3.575123275e+01 3.575123275e+01 1.80 3.309370564e+01 3.309370564e+01 1.82 3.061158694e+01 3.061158694e+01 1.84 2.829306964e+01 2.829306964e+01 1.86 2.612724471e+01 2.612724471e+01 1.88 2.410406584e+01 2.410406584e+01 1.90 2.221424187e+01 2.221424187e+01 1.92 2.044911567e+01 2.044911567e+01 1.94 1.880056492e+01 1.880056492e+01 1.96 1.726094463e+01 1.726094463e+01 1.98 1.582306202e+01 1.582306202e+01 2.00 1.448015355e+01 1.448015355e+01 2.02 1.322584984e+01 1.322584984e+01 2.04 1.205413002e+01 1.205413002e+01 2.06 1.095928057e+01 1.095928057e+01 2.08 9.935867955e+00 9.935867955e+00 2.10 8.978734742e+00 8.978734742e+00 2.12 8.083015867e+00 8.083015867e+00 2.14 7.244173083e+00 7.244173083e+00 2.16 6.458036404e+00 6.458036404e+00 2.18 5.720838858e+00 5.720838858e+00 2.20 5.029229548e+00 5.029229548e+00 2.22 4.380262490e+00 4.380262490e+00 2.24 3.771358799e+00 3.771358799e+00 2.26 3.200251633e+00 3.200251633e+00 2.28 2.664920974e+00 2.664920974e+00 2.30 2.163538919e+00 2.163538919e+00 2.32 1.694416706e+00 1.694416706e+00 2.34 1.255972768e+00 1.255972768e+00 2.36 8.467079760e-01 8.467079760e-01 2.38 4.651922075e-01 4.651922075e-01 2.40 1.100555154e-01 1.100555154e-01 2.42 -2.200187208e-01 -2.200187208e-01 2.44 -5.263013571e-01 -5.263013571e-01 2.46 -8.099637066e-01 -8.099637066e-01 2.48 -1.072157083e+00 -1.072157083e+00 2.50 -1.314154277e+00 -1.314154277e+00 2.52 -1.537196338e+00 -1.537196338e+00 2.54 -1.742497160e+00 -1.742497160e+00 2.56 -1.931251236e+00 -1.931251236e+00 2.58 -2.104639326e+00 -2.104639326e+00 2.60 -2.263826898e+00 -2.263826898e+00 2.62 -2.409949422e+00 -2.409949422e+00 2.64 -2.544013517e+00 -2.544013517e+00 2.66 -2.666822592e+00 -2.666822592e+00 2.68 -2.779107967e+00 -2.779107967e+00 2.70 -2.881526501e+00 -2.881526501e+00 2.72 -2.974651865e+00 -2.974651865e+00 2.74 -3.058977667e+00 -3.058977667e+00 2.76 -3.134928225e+00 -3.134928225e+00 2.78 -3.202871732e+00 -3.202871732e+00 2.80 -3.263132798e+00 -3.263132798e+00 2.82 -3.316000729e+00 -3.316000729e+00 2.84 -3.361817898e+00 -3.361817898e+00 2.86 -3.401867298e+00 -3.401867298e+00 2.88 -3.436349499e+00 -3.436349499e+00 2.90 -3.465087018e+00 -3.465087018e+00 2.92 -3.487953634e+00 -3.487953634e+00 2.94 -3.504875658e+00 -3.504875658e+00 2.96 -3.515836003e+00 -3.515836003e+00 2.98 -3.520879746e+00 -3.520879746e+00 3.00 -3.520119370e+00 -3.520119370e+00 3.02 -3.513739721e+00 -3.513739721e+00 3.04 -3.502015531e+00 -3.502015531e+00 3.06 -3.485294611e+00 -3.485294611e+00 3.08 -3.463960272e+00 -3.463960272e+00 3.10 -3.438414564e+00 -3.438414564e+00 3.12 -3.409054873e+00 -3.409054873e+00 3.14 -3.376257162e+00 -3.376257162e+00 3.16 -3.340392301e+00 -3.340392301e+00 3.18 -3.301731129e+00 -3.301731129e+00 3.20 -3.260481489e+00 -3.260481489e+00 3.22 -3.216822624e+00 -3.216822624e+00 3.24 -3.170908765e+00 -3.170908765e+00 3.26 -3.122875575e+00 -3.122875575e+00 3.28 -3.072848180e+00 -3.072848180e+00 3.30 -3.020949853e+00 -3.020949853e+00 3.32 -2.967310276e+00 -2.967310276e+00 3.34 -2.912069899e+00 -2.912069899e+00 3.36 -2.855388100e+00 -2.855388100e+00 3.38 -2.797451471e+00 -2.797451471e+00 3.40 -2.738474883e+00 -2.738474883e+00 3.42 -2.678700385e+00 -2.678700385e+00 3.44 -2.618391548e+00 -2.618391548e+00 3.46 -2.557826822e+00 -2.557826822e+00 3.48 -2.497290054e+00 -2.497290054e+00 3.50 -2.437060176e+00 -2.437060176e+00 3.52 -2.377400965e+00 -2.377400965e+00 3.54 -2.318551939e+00 -2.318551939e+00 3.56 -2.260721214e+00 -2.260721214e+00 3.58 -2.204080874e+00 -2.204080874e+00 3.60 -2.148764993e+00 -2.148764993e+00 3.62 -2.094870136e+00 -2.094870136e+00 3.64 -2.042457905e+00 -2.042457905e+00 3.66 -1.991558917e+00 -1.991558917e+00 3.68 -1.942177583e+00 -1.942177583e+00 3.70 -1.894297088e+00 -1.894297088e+00 3.72 -1.847884105e+00 -1.847884105e+00 3.74 -1.802892910e+00 -1.802892910e+00 3.76 -1.759268766e+00 -1.759268766e+00 3.78 -1.716950560e+00 -1.716950560e+00 3.80 -1.675872791e+00 -1.675872791e+00 3.82 -1.635967086e+00 -1.635967086e+00 3.84 -1.597163389e+00 -1.597163389e+00 3.86 -1.559390966e+00 -1.559390966e+00 3.88 -1.522579296e+00 -1.522579296e+00 3.90 -1.486658873e+00 -1.486658873e+00 3.92 -1.451561483e+00 -1.451561483e+00 3.94 -1.417222615e+00 -1.417222615e+00 3.96 -1.383579046e+00 -1.383579046e+00 3.98 -1.350571181e+00 -1.350571181e+00 4.00 -1.318142722e+00 -1.318142722e+00 4.02 -1.286240812e+00 -1.286240812e+00 4.04 -1.254816167e+00 -1.254816167e+00 4.06 -1.223823276e+00 -1.223823276e+00 4.08 -1.193220734e+00 -1.193220734e+00 4.10 -1.162970670e+00 -1.162970670e+00 4.12 -1.133044079e+00 -1.133044079e+00 4.14 -1.103414589e+00 -1.103414589e+00 4.16 -1.074064676e+00 -1.074064676e+00 4.18 -1.044985574e+00 -1.044985574e+00 4.20 -1.016178457e+00 -1.016178457e+00 4.22 -9.876553697e-01 -9.876553697e-01 4.24 -9.594396830e-01 -9.594396830e-01 4.26 -9.315658480e-01 -9.315658480e-01 4.28 -9.040782927e-01 -9.040782927e-01 4.30 -8.770293792e-01 -8.770293792e-01 4.32 -8.504764813e-01 -8.504764813e-01 4.34 -8.244783855e-01 -8.244783855e-01 4.36 -7.990913487e-01 -7.990913487e-01 4.38 -7.743652222e-01 -7.743652222e-01 4.40 -7.503400590e-01 -7.503400590e-01 4.42 -7.270435476e-01 -7.270435476e-01 4.44 -7.044894842e-01 -7.044894842e-01 4.46 -6.826773363e-01 -6.826773363e-01 4.48 -6.615928021e-01 -6.615928021e-01 4.50 -6.412091591e-01 -6.412091591e-01 4.52 -6.214891398e-01 -6.214891398e-01 4.54 -6.023870693e-01 -6.023870693e-01 4.56 -5.838510384e-01 -5.838510384e-01 4.58 -5.658249442e-01 -5.658249442e-01 4.60 -5.482503027e-01 -5.482503027e-01 4.62 -5.310677945e-01 -5.310677945e-01 4.64 -5.142185564e-01 -5.142185564e-01 4.66 -4.976452654e-01 -4.976452654e-01 4.68 -4.812930765e-01 -4.812930765e-01 4.70 -4.651104838e-01 -4.651104838e-01 4.72 -4.490501689e-01 -4.490501689e-01 4.74 -4.330698866e-01 -4.330698866e-01 4.76 -4.171334212e-01 -4.171334212e-01 4.78 -4.012116207e-01 -4.012116207e-01 4.80 -3.852827757e-01 -3.852827757e-01 4.82 -3.693366889e-01 -3.693366889e-01 4.84 -3.533710691e-01 -3.533710691e-01 4.86 -3.373956087e-01 -3.373956087e-01 4.88 -3.214316826e-01 -3.214316826e-01 4.90 -3.055124551e-01 -3.055124551e-01 4.92 -2.896824295e-01 -2.896824295e-01 4.94 -2.739963567e-01 -2.739963567e-01 4.96 -2.585174724e-01 -2.585174724e-01 4.98 -2.433151074e-01 -2.433151074e-01 5.00 -2.284617926e-01 -2.284617926e-01 5.02 -2.140300540e-01 -2.140300540e-01 5.04 -2.000891428e-01 -2.000891428e-01 5.06 -1.867019701e-01 -1.867019701e-01 5.08 -1.739224925e-01 -1.739224925e-01 5.10 -1.617937457e-01 -1.617937457e-01 5.12 -1.503466459e-01 -1.503466459e-01 5.14 -1.395995853e-01 -1.395995853e-01 5.16 -1.295587694e-01 -1.295587694e-01 5.18 -1.202191712e-01 -1.202191712e-01 5.20 -1.115659408e-01 -1.115659408e-01 5.22 -1.035760892e-01 -1.035760892e-01 5.24 -9.622027303e-02 -9.622027303e-02 5.26 -8.946455400e-02 -8.946455400e-02 5.28 -8.327201010e-02 -8.327201010e-02 5.30 -7.760413427e-02 -7.760413427e-02 5.32 -7.242197959e-02 -7.242197959e-02 5.34 -6.768706512e-02 -6.768706512e-02 5.36 -6.336203844e-02 -6.336203844e-02 5.38 -5.941060013e-02 -5.941060013e-02 5.40 -5.579904303e-02 -5.579904303e-02 5.42 -5.249607575e-02 -5.249607575e-02 5.44 -4.947235149e-02 -4.947235149e-02 5.46 -4.670040542e-02 -4.670040542e-02 5.48 -4.415515272e-02 -4.415515272e-02 5.50 -4.181357106e-02 -4.181357106e-02 5.52 -3.965454994e-02 -3.965454994e-02 5.54 -3.765881917e-02 -3.765881917e-02 5.56 -3.580885675e-02 -3.580885675e-02 5.58 -3.408878448e-02 -3.408878448e-02 5.60 -3.248425745e-02 -3.248425745e-02 5.62 -3.098235124e-02 -3.098235124e-02 5.64 -2.957144917e-02 -2.957144917e-02 5.66 -2.824113491e-02 -2.824113491e-02 5.68 -2.698208975e-02 -2.698208975e-02 5.70 -2.578599689e-02 -2.578599689e-02 5.72 -2.464545353e-02 -2.464545353e-02 5.74 -2.355389175e-02 -2.355389175e-02 5.76 -2.250550844e-02 -2.250550844e-02 5.78 -2.149520427e-02 -2.149520427e-02 5.80 -2.051853159e-02 -2.051853159e-02 5.82 -1.957165058e-02 -1.957165058e-02 5.84 -1.865129284e-02 -1.865129284e-02 5.86 -1.775473128e-02 -1.775473128e-02 5.88 -1.687975489e-02 -1.687975489e-02 5.90 -1.602464670e-02 -1.602464670e-02 5.92 -1.518816310e-02 -1.518816310e-02 5.94 -1.436949539e-02 -1.436949539e-02 5.96 -1.356818380e-02 -1.356818380e-02 5.98 -1.278427291e-02 -1.278427291e-02 6.00 -1.201819086e-02 -1.201819086e-02