# 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 = Pd2PtW # 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 4.270561241e+02 4.270561241e+02 1.30 3.971697667e+02 3.971697667e+02 1.32 3.693213697e+02 3.693213697e+02 1.34 3.433815505e+02 3.433815505e+02 1.36 3.192404969e+02 3.192404969e+02 1.38 2.967945177e+02 2.967945177e+02 1.40 2.759369773e+02 2.759369773e+02 1.42 2.565562433e+02 2.565562433e+02 1.44 2.385384504e+02 2.385384504e+02 1.46 2.217718710e+02 2.217718710e+02 1.48 2.061508704e+02 2.061508704e+02 1.50 1.915783700e+02 1.915783700e+02 1.52 1.779664415e+02 1.779664415e+02 1.54 1.652356798e+02 1.652356798e+02 1.56 1.533145381e+02 1.533145381e+02 1.58 1.421390827e+02 1.421390827e+02 1.60 1.316527097e+02 1.316527097e+02 1.62 1.218053347e+02 1.218053347e+02 1.64 1.125522064e+02 1.125522064e+02 1.66 1.038530078e+02 1.038530078e+02 1.68 9.567172558e+01 9.567172558e+01 1.70 8.797701161e+01 8.797701161e+01 1.72 8.074218254e+01 8.074218254e+01 1.74 7.394423035e+01 7.394423035e+01 1.76 6.756213108e+01 6.756213108e+01 1.78 6.157572009e+01 6.157572009e+01 1.80 5.596412015e+01 5.596412015e+01 1.82 5.073238426e+01 5.073238426e+01 1.84 4.591583265e+01 4.591583265e+01 1.86 4.149850706e+01 4.149850706e+01 1.88 3.744763238e+01 3.744763238e+01 1.90 3.373264585e+01 3.373264585e+01 1.92 3.032524058e+01 3.032524058e+01 1.94 2.719940612e+01 2.719940612e+01 1.96 2.433138578e+01 2.433138578e+01 1.98 2.169953844e+01 2.169953844e+01 2.00 1.928415565e+01 1.928415565e+01 2.02 1.706727898e+01 1.706727898e+01 2.04 1.503252702e+01 1.503252702e+01 2.06 1.316492540e+01 1.316492540e+01 2.08 1.145074034e+01 1.145074034e+01 2.10 9.877328948e+00 9.877328948e+00 2.12 8.433024592e+00 8.433024592e+00 2.14 7.107071486e+00 7.107071486e+00 2.16 5.889607806e+00 5.889607806e+00 2.18 4.771677368e+00 4.771677368e+00 2.20 3.745238185e+00 3.745238185e+00 2.22 2.803140975e+00 2.803140975e+00 2.24 1.939067612e+00 1.939067612e+00 2.26 1.147436563e+00 1.147436563e+00 2.28 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-5.276360843e+00 2.80 -5.252068543e+00 -5.252068543e+00 2.82 -5.217372202e+00 -5.217372202e+00 2.84 -5.172828868e+00 -5.172828868e+00 2.86 -5.119229943e+00 -5.119229943e+00 2.88 -5.057673354e+00 -5.057673354e+00 2.90 -4.988607262e+00 -4.988607262e+00 2.92 -4.912560672e+00 -4.912560672e+00 2.94 -4.830190135e+00 -4.830190135e+00 2.96 -4.742265448e+00 -4.742265448e+00 2.98 -4.649640690e+00 -4.649640690e+00 3.00 -4.553211955e+00 -4.553211955e+00 3.02 -4.453867336e+00 -4.453867336e+00 3.04 -4.352464253e+00 -4.352464253e+00 3.06 -4.249816164e+00 -4.249816164e+00 3.08 -4.146598750e+00 -4.146598750e+00 3.10 -4.043331670e+00 -4.043331670e+00 3.12 -3.940384744e+00 -3.940384744e+00 3.14 -3.837998432e+00 -3.837998432e+00 3.16 -3.736430709e+00 -3.736430709e+00 3.18 -3.635944524e+00 -3.635944524e+00 3.20 -3.536637242e+00 -3.536637242e+00 3.22 -3.438491245e+00 -3.438491245e+00 3.24 -3.341425692e+00 -3.341425692e+00 3.26 -3.245335075e+00 -3.245335075e+00 3.28 -3.150117017e+00 -3.150117017e+00 3.30 -3.055691744e+00 -3.055691744e+00 3.32 -2.962015197e+00 -2.962015197e+00 3.34 -2.869087224e+00 -2.869087224e+00 3.36 -2.776955750e+00 -2.776955750e+00 3.38 -2.685717413e+00 -2.685717413e+00 3.40 -2.595514929e+00 -2.595514929e+00 3.42 -2.506531391e+00 -2.506531391e+00 3.44 -2.418981739e+00 -2.418981739e+00 3.46 -2.333101923e+00 -2.333101923e+00 3.48 -2.249136432e+00 -2.249136432e+00 3.50 -2.167325147e+00 -2.167325147e+00 3.52 -2.087890570e+00 -2.087890570e+00 3.54 -2.011026483e+00 -2.011026483e+00 3.56 -1.936888911e+00 -1.936888911e+00 3.58 -1.865589998e+00 -1.865589998e+00 3.60 -1.797195025e+00 -1.797195025e+00 3.62 -1.731722456e+00 -1.731722456e+00 3.64 -1.669146617e+00 -1.669146617e+00 3.66 -1.609402379e+00 -1.609402379e+00 3.68 -1.552391192e+00 -1.552391192e+00 3.70 -1.497987792e+00 -1.497987792e+00 3.72 -1.446047026e+00 -1.446047026e+00 3.74 -1.396410339e+00 -1.396410339e+00 3.76 -1.348911640e+00 -1.348911640e+00 3.78 -1.303382354e+00 -1.303382354e+00 3.80 -1.259655595e+00 -1.259655595e+00 3.82 -1.217569462e+00 -1.217569462e+00 3.84 -1.176969520e+00 -1.176969520e+00 3.86 -1.137710578e+00 -1.137710578e+00 3.88 -1.099657882e+00 -1.099657882e+00 3.90 -1.062687893e+00 -1.062687893e+00 3.92 -1.026688798e+00 -1.026688798e+00 3.94 -9.915609207e-01 -9.915609207e-01 3.96 -9.572171342e-01 -9.572171342e-01 3.98 -9.235834150e-01 -9.235834150e-01 4.00 -8.905995373e-01 -8.905995373e-01 4.02 -8.582199001e-01 -8.582199001e-01 4.04 -8.264143822e-01 -8.264143822e-01 4.06 -7.951690570e-01 -7.951690570e-01 4.08 -7.644865480e-01 -7.644865480e-01 4.10 -7.343857790e-01 -7.343857790e-01 4.12 -7.049009181e-01 -7.049009181e-01 4.14 -6.760793053e-01 -6.760793053e-01 4.16 -6.479783938e-01 -6.479783938e-01 4.18 -6.206617448e-01 -6.206617448e-01 4.20 -5.941943488e-01 -5.941943488e-01 4.22 -5.686376474e-01 -5.686376474e-01 4.24 -5.440447151e-01 -5.440447151e-01 4.26 -5.204560721e-01 -5.204560721e-01 4.28 -4.978965283e-01 -4.978965283e-01 4.30 -4.763733242e-01 -4.763733242e-01 4.32 -4.558756587e-01 -4.558756587e-01 4.34 -4.363755129e-01 -4.363755129e-01 4.36 -4.178295342e-01 -4.178295342e-01 4.38 -4.001816573e-01 -4.001816573e-01 4.40 -3.833661125e-01 -3.833661125e-01 4.42 -3.673105091e-01 -3.673105091e-01 4.44 -3.519387519e-01 -3.519387519e-01 4.46 -3.371736350e-01 -3.371736350e-01 4.48 -3.229390435e-01 -3.229390435e-01 4.50 -3.091617612e-01 -3.091617612e-01 4.52 -2.957729288e-01 -2.957729288e-01 4.54 -2.827092215e-01 -2.827092215e-01 4.56 -2.699138230e-01 -2.699138230e-01 4.58 -2.573372606e-01 -2.573372606e-01 4.60 -2.449381496e-01 -2.449381496e-01 4.62 -2.326838679e-01 -2.326838679e-01 4.64 -2.205511541e-01 -2.205511541e-01 4.66 -2.085265969e-01 -2.085265969e-01 4.68 -1.966069586e-01 -1.966069586e-01 4.70 -1.847992629e-01 -1.847992629e-01 4.72 -1.731205714e-01 -1.731205714e-01 4.74 -1.615973823e-01 -1.615973823e-01 4.76 -1.502646070e-01 -1.502646070e-01 4.78 -1.391641124e-01 -1.391641124e-01 4.80 -1.283428604e-01 -1.283428604e-01 4.82 -1.178507248e-01 -1.178507248e-01 4.84 -1.077380936e-01 -1.077380936e-01 4.86 -9.805342229e-02 -9.805342229e-02 4.88 -8.884089409e-02 -8.884089409e-02 4.90 -8.013835764e-02 -8.013835764e-02 4.92 -7.197568353e-02 -7.197568353e-02 4.94 -6.437363937e-02 -6.437363937e-02 4.96 -5.734335444e-02 -5.734335444e-02 4.98 -5.088634047e-02 -5.088634047e-02 5.00 -4.499502838e-02 -4.499502838e-02 5.02 -3.965372061e-02 -3.965372061e-02 5.04 -3.484019542e-02 -3.484019542e-02 5.06 -3.052651014e-02 -3.052651014e-02 5.08 -2.668033037e-02 -2.668033037e-02 5.10 -2.326696025e-02 -2.326696025e-02 5.12 -2.025053519e-02 -2.025053519e-02 5.14 -1.759507879e-02 -1.759507879e-02 5.16 -1.526534146e-02 -1.526534146e-02 5.18 -1.322733915e-02 -1.322733915e-02 5.20 -1.144932986e-02 -1.144932986e-02 5.22 -9.901801805e-03 -9.901801805e-03 5.24 -8.557598630e-03 -8.557598630e-03 5.26 -7.392006610e-03 -7.392006610e-03 5.28 -6.382744590e-03 -6.382744590e-03 5.30 -5.509883420e-03 -5.509883420e-03 5.32 -4.755717422e-03 -4.755717422e-03 5.34 -4.104606104e-03 -4.104606104e-03 5.36 -3.542800215e-03 -3.542800215e-03 5.38 -3.058262694e-03 -3.058262694e-03 5.40 -2.640492040e-03 -2.640492040e-03 5.42 -2.280353224e-03 -2.280353224e-03 5.44 -1.969919384e-03 -1.969919384e-03 5.46 -1.702326111e-03 -1.702326111e-03 5.48 -1.471639114e-03 -1.471639114e-03 5.50 -1.272735316e-03 -1.272735316e-03 5.52 -1.101196925e-03 -1.101196925e-03 5.54 -9.532177519e-04 -9.532177519e-04 5.56 -8.255208103e-04 -8.255208103e-04 5.58 -7.152862148e-04 -7.152862148e-04 5.60 -6.200883223e-04 -6.200883223e-04 5.62 -5.378411180e-04 -5.378411180e-04 5.64 -4.667508942e-04 -4.667508942e-04 5.66 -4.052753378e-04 -4.052753378e-04 5.68 -3.520882254e-04 -3.520882254e-04 5.70 -3.060490024e-04 -3.060490024e-04 5.72 -2.661766024e-04 -2.661766024e-04 5.74 -2.316269380e-04 -2.316269380e-04 5.76 -2.016735625e-04 -2.016735625e-04 5.78 -1.756910649e-04 -1.756910649e-04 5.80 -1.531408191e-04 -1.531408191e-04 5.82 -1.335587558e-04 -1.335587558e-04 5.84 -1.165448722e-04 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