# 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 = Cu2PtZr # 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 2.413454363e+02 2.413454363e+02 1.30 2.241840473e+02 2.241840473e+02 1.32 2.082169712e+02 2.082169712e+02 1.34 1.933697796e+02 1.933697796e+02 1.36 1.795735312e+02 1.795735312e+02 1.38 1.667551326e+02 1.667551326e+02 1.40 1.548351432e+02 1.548351432e+02 1.42 1.437327654e+02 1.437327654e+02 1.44 1.333726147e+02 1.333726147e+02 1.46 1.236901194e+02 1.236901194e+02 1.48 1.146337733e+02 1.146337733e+02 1.50 1.061631902e+02 1.061631902e+02 1.52 9.824383654e+01 9.824383654e+01 1.54 9.084195745e+01 9.084195745e+01 1.56 8.392192156e+01 8.392192156e+01 1.58 7.744666052e+01 7.744666052e+01 1.60 7.137967667e+01 7.137967667e+01 1.62 6.568722451e+01 6.568722451e+01 1.64 6.033972002e+01 6.033972002e+01 1.66 5.531235897e+01 5.531235897e+01 1.68 5.058503815e+01 5.058503815e+01 1.70 4.614158006e+01 4.614158006e+01 1.72 4.196871799e+01 4.196871799e+01 1.74 3.805487378e+01 3.805487378e+01 1.76 3.438933179e+01 3.438933179e+01 1.78 3.096053825e+01 3.096053825e+01 1.80 2.778337270e+01 2.778337270e+01 1.82 2.487525097e+01 2.487525097e+01 1.84 2.221336967e+01 2.221336967e+01 1.86 1.977584908e+01 1.977584908e+01 1.88 1.754206876e+01 1.754206876e+01 1.90 1.549288738e+01 1.549288738e+01 1.92 1.361084488e+01 1.361084488e+01 1.94 1.188041726e+01 1.188041726e+01 1.96 1.028805325e+01 1.028805325e+01 1.98 8.822107261e+00 8.822107261e+00 2.00 7.472640024e+00 7.472640024e+00 2.02 6.231107634e+00 6.231107634e+00 2.04 5.090008057e+00 5.090008057e+00 2.06 4.042554825e+00 4.042554825e+00 2.08 3.082439962e+00 3.082439962e+00 2.10 2.203655888e+00 2.203655888e+00 2.12 1.400443414e+00 1.400443414e+00 2.14 6.672765901e-01 6.672765901e-01 2.16 -1.094968464e-03 -1.094968464e-03 2.18 -6.096036760e-01 -6.096036760e-01 2.20 -1.162830607e+00 -1.162830607e+00 2.22 -1.665006337e+00 -1.665006337e+00 2.24 -2.120015994e+00 -2.120015994e+00 2.26 -2.531407756e+00 -2.531407756e+00 2.28 -2.902402857e+00 -2.902402857e+00 2.30 -3.235927033e+00 -3.235927033e+00 2.32 -3.534667095e+00 -3.534667095e+00 2.34 -3.801101730e+00 -3.801101730e+00 2.36 -4.037561367e+00 -4.037561367e+00 2.38 -4.246249195e+00 -4.246249195e+00 2.40 -4.429255881e+00 -4.429255881e+00 2.42 -4.588578307e+00 -4.588578307e+00 2.44 -4.726135979e+00 -4.726135979e+00 2.46 -4.843797432e+00 -4.843797432e+00 2.48 -4.943395381e+00 -4.943395381e+00 2.50 -5.026785222e+00 -5.026785222e+00 2.52 -5.095681460e+00 -5.095681460e+00 2.54 -5.151712817e+00 -5.151712817e+00 2.56 -5.197382623e+00 -5.197382623e+00 2.58 -5.234087477e+00 -5.234087477e+00 2.60 -5.262572575e+00 -5.262572575e+00 2.62 -5.283449609e+00 -5.283449609e+00 2.64 -5.297223232e+00 -5.297223232e+00 2.66 -5.304268167e+00 -5.304268167e+00 2.68 -5.304821386e+00 -5.304821386e+00 2.70 -5.299125455e+00 -5.299125455e+00 2.72 -5.287458963e+00 -5.287458963e+00 2.74 -5.270129722e+00 -5.270129722e+00 2.76 -5.247457779e+00 -5.247457779e+00 2.78 -5.219753667e+00 -5.219753667e+00 2.80 -5.187310270e+00 -5.187310270e+00 2.82 -5.150384401e+00 -5.150384401e+00 2.84 -5.109209819e+00 -5.109209819e+00 2.86 -5.064008134e+00 -5.064008134e+00 2.88 -5.015007245e+00 -5.015007245e+00 2.90 -4.962460644e+00 -4.962460644e+00 2.92 -4.906673064e+00 -4.906673064e+00 2.94 -4.848277171e+00 -4.848277171e+00 2.96 -4.787599856e+00 -4.787599856e+00 2.98 -4.724838812e+00 -4.724838812e+00 3.00 -4.660254969e+00 -4.660254969e+00 3.02 -4.594138876e+00 -4.594138876e+00 3.04 -4.526774903e+00 -4.526774903e+00 3.06 -4.458428288e+00 -4.458428288e+00 3.08 -4.389307047e+00 -4.389307047e+00 3.10 -4.319570997e+00 -4.319570997e+00 3.12 -4.249327732e+00 -4.249327732e+00 3.14 -4.178659452e+00 -4.178659452e+00 3.16 -4.107627296e+00 -4.107627296e+00 3.18 -4.036266628e+00 -4.036266628e+00 3.20 -3.964589177e+00 -3.964589177e+00 3.22 -3.892590056e+00 -3.892590056e+00 3.24 -3.820254799e+00 -3.820254799e+00 3.26 -3.747566892e+00 -3.747566892e+00 3.28 -3.674515462e+00 -3.674515462e+00 3.30 -3.601101995e+00 -3.601101995e+00 3.32 -3.527344821e+00 -3.527344821e+00 3.34 -3.453280622e+00 -3.453280622e+00 3.36 -3.378963284e+00 -3.378963284e+00 3.38 -3.304480176e+00 -3.304480176e+00 3.40 -3.229965845e+00 -3.229965845e+00 3.42 -3.155558234e+00 -3.155558234e+00 3.44 -3.081384770e+00 -3.081384770e+00 3.46 -3.007567066e+00 -3.007567066e+00 3.48 -2.934219278e+00 -2.934219278e+00 3.50 -2.861447444e+00 -2.861447444e+00 3.52 -2.789348497e+00 -2.789348497e+00 3.54 -2.718009121e+00 -2.718009121e+00 3.56 -2.647504670e+00 -2.647504670e+00 3.58 -2.577898388e+00 -2.577898388e+00 3.60 -2.509241097e+00 -2.509241097e+00 3.62 -2.441571460e+00 -2.441571460e+00 3.64 -2.374916880e+00 -2.374916880e+00 3.66 -2.309295027e+00 -2.309295027e+00 3.68 -2.244715959e+00 -2.244715959e+00 3.70 -2.181184766e+00 -2.181184766e+00 3.72 -2.118704608e+00 -2.118704608e+00 3.74 -2.057279917e+00 -2.057279917e+00 3.76 -1.996919509e+00 -1.996919509e+00 3.78 -1.937639185e+00 -1.937639185e+00 3.80 -1.879463427e+00 -1.879463427e+00 3.82 -1.822425726e+00 -1.822425726e+00 3.84 -1.766567263e+00 -1.766567263e+00 3.86 -1.711933845e+00 -1.711933845e+00 3.88 -1.658571344e+00 -1.658571344e+00 3.90 -1.606520243e+00 -1.606520243e+00 3.92 -1.555809031e+00 -1.555809031e+00 3.94 -1.506454407e+00 -1.506454407e+00 3.96 -1.458450913e+00 -1.458450913e+00 3.98 -1.411775705e+00 -1.411775705e+00 4.00 -1.366388762e+00 -1.366388762e+00 4.02 -1.322236406e+00 -1.322236406e+00 4.04 -1.279256107e+00 -1.279256107e+00 4.06 -1.237381820e+00 -1.237381820e+00 4.08 -1.196549233e+00 -1.196549233e+00 4.10 -1.156696722e+00 -1.156696722e+00 4.12 -1.117784228e+00 -1.117784228e+00 4.14 -1.079771453e+00 -1.079771453e+00 4.16 -1.042635801e+00 -1.042635801e+00 4.18 -1.006367449e+00 -1.006367449e+00 4.20 -9.709677211e-01 -9.709677211e-01 4.22 -9.364465278e-01 -9.364465278e-01 4.24 -9.028192441e-01 -9.028192441e-01 4.26 -8.701034872e-01 -8.701034872e-01 4.28 -8.383162167e-01 -8.383162167e-01 4.30 -8.074715006e-01 -8.074715006e-01 4.32 -7.775791273e-01 -7.775791273e-01 4.34 -7.486440615e-01 -7.486440615e-01 4.36 -7.206665734e-01 -7.206665734e-01 4.38 -6.936427653e-01 -6.936427653e-01 4.40 -6.675651864e-01 -6.675651864e-01 4.42 -6.424232759e-01 -6.424232759e-01 4.44 -6.182034773e-01 -6.182034773e-01 4.46 -5.948889950e-01 -5.948889950e-01 4.48 -5.724592818e-01 -5.724592818e-01 4.50 -5.508894297e-01 -5.508894297e-01 4.52 -5.301496677e-01 -5.301496677e-01 4.54 -5.102051491e-01 -5.102051491e-01 4.56 -4.910161545e-01 -4.910161545e-01 4.58 -4.725387608e-01 -4.725387608e-01 4.60 -4.547259488e-01 -4.547259488e-01 4.62 -4.375290641e-01 -4.375290641e-01 4.64 -4.208995108e-01 -4.208995108e-01 4.66 -4.047905426e-01 -4.047905426e-01 4.68 -3.891590182e-01 -3.891590182e-01 4.70 -3.739670084e-01 -3.739670084e-01 4.72 -3.591831476e-01 -3.591831476e-01 4.74 -3.447834832e-01 -3.447834832e-01 4.76 -3.307523136e-01 -3.307523136e-01 4.78 -3.170825809e-01 -3.170825809e-01 4.80 -3.037718956e-01 -3.037718956e-01 4.82 -2.908350043e-01 -2.908350043e-01 4.84 -2.782817527e-01 -2.782817527e-01 4.86 -2.661299931e-01 -2.661299931e-01 4.88 -2.543998659e-01 -2.543998659e-01 4.90 -2.431118189e-01 -2.431118189e-01 4.92 -2.322847005e-01 -2.322847005e-01 4.94 -2.219340864e-01 -2.219340864e-01 4.96 -2.120709667e-01 -2.120709667e-01 4.98 -2.027008759e-01 -2.027008759e-01 5.00 -1.938234917e-01 -1.938234917e-01 5.02 -1.854326777e-01 -1.854326777e-01 5.04 -1.775169018e-01 -1.775169018e-01 5.06 -1.700599363e-01 -1.700599363e-01 5.08 -1.630417361e-01 -1.630417361e-01 5.10 -1.564393942e-01 -1.564393942e-01 5.12 -1.502280924e-01 -1.502280924e-01 5.14 -1.443819812e-01 -1.443819812e-01 5.16 -1.388749498e-01 -1.388749498e-01 5.18 -1.336812630e-01 -1.336812630e-01 5.20 -1.287760613e-01 -1.287760613e-01 5.22 -1.241357314e-01 -1.241357314e-01 5.24 -1.197381592e-01 -1.197381592e-01 5.26 -1.155628860e-01 -1.155628860e-01 5.28 -1.115911840e-01 -1.115911840e-01 5.30 -1.078060711e-01 -1.078060711e-01 5.32 -1.041922773e-01 -1.041922773e-01 5.34 -1.007361779e-01 -1.007361779e-01 5.36 -9.742569994e-02 -9.742569994e-02 5.38 -9.425021200e-02 -9.425021200e-02 5.40 -9.120039894e-02 -9.120039894e-02 5.42 -8.826812754e-02 -8.826812754e-02 5.44 -8.544630490e-02 -8.544630490e-02 5.46 -8.272873073e-02 -8.272873073e-02 5.48 -8.010995552e-02 -8.010995552e-02 5.50 -7.758513837e-02 -7.758513837e-02 5.52 -7.514990982e-02 -7.514990982e-02 5.54 -7.280024982e-02 -7.280024982e-02 5.56 -7.053238218e-02 -7.053238218e-02 5.58 -6.834268822e-02 -6.834268822e-02 5.60 -6.622797092e-02 -6.622797092e-02 5.62 -6.418492249e-02 -6.418492249e-02 5.64 -6.220975380e-02 -6.220975380e-02 5.66 -6.029879277e-02 -6.029879277e-02 5.68 -5.844846127e-02 -5.844846127e-02 5.70 -5.665525791e-02 -5.665525791e-02 5.72 -5.491574761e-02 -5.491574761e-02 5.74 -5.322655629e-02 -5.322655629e-02 5.76 -5.158436912e-02 -5.158436912e-02 5.78 -4.998593082e-02 -4.998593082e-02 5.80 -4.842804679e-02 -4.842804679e-02 5.82 -4.690758482e-02 -4.690758482e-02 5.84 -4.542147671e-02 -4.542147671e-02 5.86 -4.396672053e-02 -4.396672053e-02 5.88 -4.254038362e-02 -4.254038362e-02 5.90 -4.113960740e-02 -4.113960740e-02 5.92 -3.976161462e-02 -3.976161462e-02 5.94 -3.840372018e-02 -3.840372018e-02 5.96 -3.706334634e-02 -3.706334634e-02 5.98 -3.573804320e-02 -3.573804320e-02 6.00 -3.442551508e-02 -3.442551508e-02