# 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 = PtTiZr2 # 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 4.282942252e+02 4.282942252e+02 1.30 4.002356902e+02 4.002356902e+02 1.32 3.740969128e+02 3.740969128e+02 1.34 3.497303241e+02 3.497303241e+02 1.36 3.270044643e+02 3.270044643e+02 1.38 3.057988776e+02 3.057988776e+02 1.40 2.860001119e+02 2.860001119e+02 1.42 2.675014918e+02 2.675014918e+02 1.44 2.502049261e+02 2.502049261e+02 1.46 2.340217344e+02 2.340217344e+02 1.48 2.188720638e+02 2.188720638e+02 1.50 2.046841623e+02 2.046841623e+02 1.52 1.913936119e+02 1.913936119e+02 1.54 1.789415371e+02 1.789415371e+02 1.56 1.672724530e+02 1.672724530e+02 1.58 1.563324955e+02 1.563324955e+02 1.60 1.460691358e+02 1.460691358e+02 1.62 1.364320673e+02 1.364320673e+02 1.64 1.273748368e+02 1.273748368e+02 1.66 1.188561519e+02 1.188561519e+02 1.68 1.108404987e+02 1.108404987e+02 1.70 1.032976554e+02 1.032976554e+02 1.72 9.620124233e+01 9.620124233e+01 1.74 8.952687524e+01 8.952687524e+01 1.76 8.325069155e+01 8.325069155e+01 1.78 7.734870062e+01 7.734870062e+01 1.80 7.179705428e+01 7.179705428e+01 1.82 6.657267918e+01 6.657267918e+01 1.84 6.165403578e+01 6.165403578e+01 1.86 5.702143747e+01 5.702143747e+01 1.88 5.265683276e+01 5.265683276e+01 1.90 4.854328790e+01 4.854328790e+01 1.92 4.466464551e+01 4.466464551e+01 1.94 4.100537760e+01 4.100537760e+01 1.96 3.755087676e+01 3.755087676e+01 1.98 3.428800820e+01 3.428800820e+01 2.00 3.120530353e+01 3.120530353e+01 2.02 2.829176330e+01 2.829176330e+01 2.04 2.556221769e+01 2.556221769e+01 2.06 2.302836063e+01 2.302836063e+01 2.08 2.067714383e+01 2.067714383e+01 2.10 1.849664230e+01 1.849664230e+01 2.12 1.647579158e+01 1.647579158e+01 2.14 1.460415992e+01 1.460415992e+01 2.16 1.287175083e+01 1.287175083e+01 2.18 1.126893408e+01 1.126893408e+01 2.20 9.786520806e+00 9.786520806e+00 2.22 8.415865870e+00 8.415865870e+00 2.24 7.148950414e+00 7.148950414e+00 2.26 5.978400987e+00 5.978400987e+00 2.28 4.897440697e+00 4.897440697e+00 2.30 3.899847452e+00 3.899847452e+00 2.32 2.979891915e+00 2.979891915e+00 2.34 2.132270705e+00 2.132270705e+00 2.36 1.352077751e+00 1.352077751e+00 2.38 6.347532291e-01 6.347532291e-01 2.40 -2.396525155e-02 -2.396525155e-02 2.42 -6.280964082e-01 -6.280964082e-01 2.44 -1.181445897e+00 -1.181445897e+00 2.46 -1.687636705e+00 -1.687636705e+00 2.48 -2.150117913e+00 -2.150117913e+00 2.50 -2.572166976e+00 -2.572166976e+00 2.52 -2.956888159e+00 -2.956888159e+00 2.54 -3.307206280e+00 -3.307206280e+00 2.56 -3.625852272e+00 -3.625852272e+00 2.58 -3.915341631e+00 -3.915341631e+00 2.60 -4.177954477e+00 -4.177954477e+00 2.62 -4.415727083e+00 -4.415727083e+00 2.64 -4.630470573e+00 -4.630470573e+00 2.66 -4.823789187e+00 -4.823789187e+00 2.68 -4.997124386e+00 -4.997124386e+00 2.70 -5.151788714e+00 -5.151788714e+00 2.72 -5.288994412e+00 -5.288994412e+00 2.74 -5.409872310e+00 -5.409872310e+00 2.76 -5.515481637e+00 -5.515481637e+00 2.78 -5.606811016e+00 -5.606811016e+00 2.80 -5.684790155e+00 -5.684790155e+00 2.82 -5.750315493e+00 -5.750315493e+00 2.84 -5.804257480e+00 -5.804257480e+00 2.86 -5.847271401e+00 -5.847271401e+00 2.88 -5.880092771e+00 -5.880092771e+00 2.90 -5.904330453e+00 -5.904330453e+00 2.92 -5.920626009e+00 -5.920626009e+00 2.94 -5.929358281e+00 -5.929358281e+00 2.96 -5.930950696e+00 -5.930950696e+00 2.98 -5.925865295e+00 -5.925865295e+00 3.00 -5.914571790e+00 -5.914571790e+00 3.02 -5.897387533e+00 -5.897387533e+00 3.04 -5.874574551e+00 -5.874574551e+00 3.06 -5.846445442e+00 -5.846445442e+00 3.08 -5.813316610e+00 -5.813316610e+00 3.10 -5.775445128e+00 -5.775445128e+00 3.12 -5.733074827e+00 -5.733074827e+00 3.14 -5.686453530e+00 -5.686453530e+00 3.16 -5.635811775e+00 -5.635811775e+00 3.18 -5.581384623e+00 -5.581384623e+00 3.20 -5.523411678e+00 -5.523411678e+00 3.22 -5.462141154e+00 -5.462141154e+00 3.24 -5.397833156e+00 -5.397833156e+00 3.26 -5.330743840e+00 -5.330743840e+00 3.28 -5.261092800e+00 -5.261092800e+00 3.30 -5.189114532e+00 -5.189114532e+00 3.32 -5.115063308e+00 -5.115063308e+00 3.34 -5.039202561e+00 -5.039202561e+00 3.36 -4.961792238e+00 -4.961792238e+00 3.38 -4.883076756e+00 -4.883076756e+00 3.40 -4.803274754e+00 -4.803274754e+00 3.42 -4.722580924e+00 -4.722580924e+00 3.44 -4.641157321e+00 -4.641157321e+00 3.46 -4.559144206e+00 -4.559144206e+00 3.48 -4.476664138e+00 -4.476664138e+00 3.50 -4.393827834e+00 -4.393827834e+00 3.52 -4.310738787e+00 -4.310738787e+00 3.54 -4.227496039e+00 -4.227496039e+00 3.56 -4.144195014e+00 -4.144195014e+00 3.58 -4.060926737e+00 -4.060926737e+00 3.60 -3.977776006e+00 -3.977776006e+00 3.62 -3.894819240e+00 -3.894819240e+00 3.64 -3.812122683e+00 -3.812122683e+00 3.66 -3.729741508e+00 -3.729741508e+00 3.68 -3.647720100e+00 -3.647720100e+00 3.70 -3.566093580e+00 -3.566093580e+00 3.72 -3.484890430e+00 -3.484890430e+00 3.74 -3.404135959e+00 -3.404135959e+00 3.76 -3.323856247e+00 -3.323856247e+00 3.78 -3.244082163e+00 -3.244082163e+00 3.80 -3.164852947e+00 -3.164852947e+00 3.82 -3.086218790e+00 -3.086218790e+00 3.84 -3.008244014e+00 -3.008244014e+00 3.86 -2.931029203e+00 -2.931029203e+00 3.88 -2.854695030e+00 -2.854695030e+00 3.90 -2.779358616e+00 -2.779358616e+00 3.92 -2.705125118e+00 -2.705125118e+00 3.94 -2.632095781e+00 -2.632095781e+00 3.96 -2.560343216e+00 -2.560343216e+00 3.98 -2.489923747e+00 -2.489923747e+00 4.00 -2.420873477e+00 -2.420873477e+00 4.02 -2.353210300e+00 -2.353210300e+00 4.04 -2.286937495e+00 -2.286937495e+00 4.06 -2.222048203e+00 -2.222048203e+00 4.08 -2.158530109e+00 -2.158530109e+00 4.10 -2.096361904e+00 -2.096361904e+00 4.12 -2.035549749e+00 -2.035549749e+00 4.14 -1.976077708e+00 -1.976077708e+00 4.16 -1.917945690e+00 -1.917945690e+00 4.18 -1.861159738e+00 -1.861159738e+00 4.20 -1.805730964e+00 -1.805730964e+00 4.22 -1.751673584e+00 -1.751673584e+00 4.24 -1.699002329e+00 -1.699002329e+00 4.26 -1.647729631e+00 -1.647729631e+00 4.28 -1.597862939e+00 -1.597862939e+00 4.30 -1.549402515e+00 -1.549402515e+00 4.32 -1.502339934e+00 -1.502339934e+00 4.34 -1.456657401e+00 -1.456657401e+00 4.36 -1.412327848e+00 -1.412327848e+00 4.38 -1.369315683e+00 -1.369315683e+00 4.40 -1.327578000e+00 -1.327578000e+00 4.42 -1.287066034e+00 -1.287066034e+00 4.44 -1.247726688e+00 -1.247726688e+00 4.46 -1.209503973e+00 -1.209503973e+00 4.48 -1.172340301e+00 -1.172340301e+00 4.50 -1.136177575e+00 -1.136177575e+00 4.52 -1.100958096e+00 -1.100958096e+00 4.54 -1.066625331e+00 -1.066625331e+00 4.56 -1.033124571e+00 -1.033124571e+00 4.58 -1.000403555e+00 -1.000403555e+00 4.60 -9.684131086e-01 -9.684131086e-01 4.62 -9.371078232e-01 -9.371078232e-01 4.64 -9.064468100e-01 -9.064468100e-01 4.66 -8.763945227e-01 -8.763945227e-01 4.68 -8.469216255e-01 -8.469216255e-01 4.70 -8.180058539e-01 -8.180058539e-01 4.72 -7.896327952e-01 -7.896327952e-01 4.74 -7.617964903e-01 -7.617964903e-01 4.76 -7.344997523e-01 -7.344997523e-01 4.78 -7.077540963e-01 -7.077540963e-01 4.80 -6.815731980e-01 -6.815731980e-01 4.82 -6.559968298e-01 -6.559968298e-01 4.84 -6.310501028e-01 -6.310501028e-01 4.86 -6.067688390e-01 -6.067688390e-01 4.88 -5.831900299e-01 -5.831900299e-01 4.90 -5.603493820e-01 -5.603493820e-01 4.92 -5.382789383e-01 -5.382789383e-01 4.94 -5.170049775e-01 -5.170049775e-01 4.96 -4.965463567e-01 -4.965463567e-01 4.98 -4.769134053e-01 -4.769134053e-01 5.00 -4.581074114e-01 -4.581074114e-01 5.02 -4.401206755e-01 -4.401206755e-01 5.04 -4.229370528e-01 -4.229370528e-01 5.06 -4.065328748e-01 -4.065328748e-01 5.08 -3.908781239e-01 -3.908781239e-01 5.10 -3.759377435e-01 -3.759377435e-01 5.12 -3.616729803e-01 -3.616729803e-01 5.14 -3.480426805e-01 -3.480426805e-01 5.16 -3.350044841e-01 -3.350044841e-01 5.18 -3.225158870e-01 -3.225158870e-01 5.20 -3.105351569e-01 -3.105351569e-01 5.22 -2.990221045e-01 -2.990221045e-01 5.24 -2.879387206e-01 -2.879387206e-01 5.26 -2.772496933e-01 -2.772496933e-01 5.28 -2.669228228e-01 -2.669228228e-01 5.30 -2.569293448e-01 -2.569293448e-01 5.32 -2.472441709e-01 -2.472441709e-01 5.34 -2.378460466e-01 -2.378460466e-01 5.36 -2.287176209e-01 -2.287176209e-01 5.38 -2.198454148e-01 -2.198454148e-01 5.40 -2.112196756e-01 -2.112196756e-01 5.42 -2.028341033e-01 -2.028341033e-01 5.44 -1.946854443e-01 -1.946854443e-01 5.46 -1.867729571e-01 -1.867729571e-01 5.48 -1.790977721e-01 -1.790977721e-01 5.50 -1.716621808e-01 -1.716621808e-01 5.52 -1.644689047e-01 -1.644689047e-01 5.54 -1.575204026e-01 -1.575204026e-01 5.56 -1.508182717e-01 -1.508182717e-01 5.58 -1.443627924e-01 -1.443627924e-01 5.60 -1.381526480e-01 -1.381526480e-01 5.62 -1.321848284e-01 -1.321848284e-01 5.64 -1.264547070e-01 -1.264547070e-01 5.66 -1.209562603e-01 -1.209562603e-01 5.68 -1.156823839e-01 -1.156823839e-01 5.70 -1.106252557e-01 -1.106252557e-01 5.72 -1.057766965e-01 -1.057766965e-01 5.74 -1.011284864e-01 -1.011284864e-01 5.76 -9.667260474e-02 -9.667260474e-02 5.78 -9.240137768e-02 -9.240137768e-02 5.80 -8.830752861e-02 -8.830752861e-02 5.82 -8.438413340e-02 -8.438413340e-02 5.84 -8.062427279e-02 -8.062427279e-02 5.86 -7.702142931e-02 -7.702142931e-02 5.88 -7.356916772e-02 -7.356916772e-02 5.90 -7.026081430e-02 -7.026081430e-02 5.92 -6.708935660e-02 -6.708935660e-02 5.94 -6.404739078e-02 -6.404739078e-02 5.96 -6.112712400e-02 -6.112712400e-02 5.98 -5.832043149e-02 -5.832043149e-02 6.00 -5.561896248e-02 -5.561896248e-02